CFD-ACE V2010.0 Modules Manual Part1

CFD-ACE+ V2010.
0
Modules Manual, Part 1
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Table Of Contents
Modules ......................................................................................................................................................... 1
Introduction ................................................................................................................................................ 1
About ESI ............................................................................................................................................... 1
About CFD-ACE+ .................................................................................................................................. 5
New Features and Improvements.......................................................................................................... 7
Using Help ........................................................................................................................................... 19
Getting Started ..................................................................................................................................... 20
How to Report Problems ...................................................................................................................... 21
Flow Module ............................................................................................................................................ 22
Flow Module Introduction to Flow Module ........................................................................................... 22
Flow Module Applications of the Flow Module .................................................................................... 23
Flow Module Features and Limitations of the Flow Module ................................................................ 24
Theory .................................................................................................................................................. 25
Model Setup ......................................................................................................................................... 33
Flow Module Post Processing ............................................................................................................. 55
Flow Module Frequently Asked Questions .......................................................................................... 56
Flow Module Examples ........................................................................................................................ 65
Flow Module References ..................................................................................................................... 65
Heat Transfer Module .............................................................................................................................. 65
Heat Transfer Module Introduction to the Heat Module ....................................................................... 65
Heat Transfer Module Applications ...................................................................................................... 66
Heat Transfer Module Features and Limitations of the Heat Module .................................................. 67
Heat Transfer Module Theory .............................................................................................................. 68
Heat Module Model Setup ................................................................................................................... 69
Heat Transfer Module Post Processing ............................................................................................... 85
Heat Transfer Module Frequently Asked Questions ............................................................................ 86
Heat Transfer Module Examples ......................................................................................................... 86
Heat Transfer Module References ....................................................................................................... 87
Turbulence Module .................................................................................................................................. 87
Turbulence Module Introduction .......................................................................................................... 87
Turbulence Module Applications .......................................................................................................... 87
Turbulence Module Features ............................................................................................................... 87
Turbulence-Theory............................................................................................................................... 88
Turbulence Module Limitations .......................................................................................................... 127
Turbulence-Implementation ............................................................................................................... 127
Turbulence Module Frequently Asked Questions .............................................................................. 141
Turbulence Module Examples ........................................................................................................... 142
Turbulence Module References ......................................................................................................... 142
Chemistry Module .................................................................................................................................. 143
Chemistry Module Introduction .......................................................................................................... 143
Chemistry-Applications ...................................................................................................................... 143
Chemistry-Features ........................................................................................................................... 144
Chemistry-Theory .............................................................................................................................. 148
Chemistry-Turbulence-Combustion Interaction ................................................................................. 162
Chemistry Module Limitations ............................................................................................................ 174
Chemistry-Implementation ................................................................................................................. 174
Chemistry Module Frequently Asked Questions ............................................................................... 192
Chemistry Module Examples ............................................................................................................. 192
Chemistry Module References .......................................................................................................... 192
User Scalar Module Frequently Asked Questions ............................................................................. 200
User Scalar Module References ........................................................................................................ 201
Radiation Module ................................................................................................................................... 201
Radiation Module Introduction ........................................................................................................... 201
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CFD-ACE_V2010.0_Modules_Manual_Part1
Radiation Module Applications .......................................................................................................... 201

Radiation Module Features ................................................................................................................ 201
Radiation-Theory ............................................................................................................................... 202
Radiation Module Limitations ............................................................................................................. 216
Radiation-Implementation .................................................................................................................. 216
Radiation Module Frequently Asked Questions ................................................................................ 235
Radiation Module References ........................................................................................................... 239
Cavitation Module .................................................................................................................................. 239
Cavitation Module Introduction .......................................................................................................... 239
Cavitation-Applications ...................................................................................................................... 240
Cavitation Module Features ............................................................................................................... 246
Cavitation-Theory............................................................................................................................... 247
Cavitation Module Limitations ............................................................................................................ 257
Cavitation-Implementation ................................................................................................................. 257
Cavitation Module Frequently Asked Questions ................................................................................ 263
Cavitation Module References ........................................................................................................... 263
Grid Deformation Module ...................................................................................................................... 264
Grid Deformation Module Introduction ............................................................................................... 264
Grid Deformation-Applications ........................................................................................................... 264
Grid Deformation-Features ................................................................................................................ 265
Grid Deformation Module Limitations ................................................................................................ 267
Grid Deformation-Implementation ...................................................................................................... 268
Grid Deformation Module Frequently Asked Questions .................................................................... 279
Stress Module ........................................................................................................................................ 279
Stress Module Introduction ................................................................................................................ 279
Stress-Applications ............................................................................................................................ 280
Stress Module Features ..................................................................................................................... 285
Stress-Theory .................................................................................................................................... 286
Stress-Limitations .............................................................................................................................. 291
Stress-Implementation ....................................................................................................................... 292
Stress Module Frequently Asked Questions ..................................................................................... 323
Stress-Examples ................................................................................................................................ 329
Stress Module References ................................................................................................................ 336
Appendix A - Post Processing Variables ............................................................................................... 337
Appendix A Post-Processing Variables ............................................................................................ 337
Glossary .................................................................................................................................................... 343
Index .......................................................................................................................................................... 345
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Introduction
About ESI
ESI Group is a world-leading supplier and pioneer of digital simulation software for prototyping and
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About CFD-ACE+
CFD-ACE+ is a set of computer applications for multi-physics computational analysis. The programs
provide an integrated geometry and grid generation software, a graphical user interface for preparing the
model, a computational solver for performing the simulation, and an interactive visualization software for
examining and analyzing the simulation results.
The standard CFD-ACE+ package includes the following applications:
• CFD-GEOM - geometry and grid generation
• CFD-VisCART -
• CFD-ACE-GUI - graphical user interface to the CFD-ACE-SOLVER
• CFD-ACE-SOLVER - advanced, multiphysics solver
• CFD-VIEW - interactive post processor
The information contained within specifically addresses the CFD-ACE-SOLVER and its interaction with
CFD-ACE-GUI. A schematic representation of the applications is shown below.
5
Schematic Representation of CFD-ACE+

CFD-ACE+ provides an interactive tool kit for building the input required for the CFD-ACE-Solver. You
can use it in conjunction with other ESI CFD products to form a complete solution analysis package.
Other ESI CFD products include:
• CFD-VisCART - provides Cartesian and viscous Cartesian grid generation capabilities.
• CADalyzer - works with native CAD geometries and provides automatic grid generation for CFD
calculations
6
Modules
• CFD-TOPO - predicts the transport, chemistry, etch and deposition of semiconductor materials on
the microscopic scales
• SimManager - uses the CFD-ACE+ package to perform parametric and optimization studies
using various parameters (e.g. geometrical parameters, boundary values, etc.)
New Features and Improvements
CFD-ACE-SOLVER 2010.0
CFD-ACE+ Solver V2010.0 includes all new features and improvements developed in the last 20 months,
i.e. since the V2009.0 release in December 2008. The following sections summarize these developments.
Radiation DOM Methodology – SnDOM and CAFVM
In earlier versions, the Discrete Ordinate Method (DOM) Radiation model that was available to CFD-
ACE+ users was, more precisely, the Sn Discrete Ordinate Method (or SnDOM). While the Sn quadrature
schemes that were available with this model were S4, S6, S8 and S12 (referring respectively to 24, 48,
80, 168 ordinate directions used in radiation computations for a 3D simulation), S4 was the default and
could be changed only via special DTF updates.
In V2010.0, the option to choose the Sn quadrature scheme (S4, S6, S8 and S12) is made available in
CFD-ACE+ GUI.
In V2010.0, a new DOM methodology, called Control Angle Finite Volume Method (CAFVM) has also
been implemented. In this method, since the computation directions can be user specified, it requires the
specification of number of cells and (in the polar and azimuthal directions, respectively) for the
discretization of a unit sphere.
Unit sphere discretization in CAFVM

The spherical coordinate extents and the total number of directions used in the computations are:
• 3D:
• Total number of computed directions =
• 2D:
• 2D Axisymmetric:
7

Users can choose between the SnDOM (including Sn quadrature scheme) and CAFVM models under the
MO -> Adv tab.
Plasma Coupled with External Circuit
For multi-dimensional reactor scale models to inform real time control for plasma processing, such as to
determine settings like electrode voltage, requires accurate coupling between circuit parameters and
plasma characteristics. In V2010.0, an electrical circuit coupling to Berkeley SPICE 2g6 has been
developed to address these types of needs as well as enable a more general investigation of the
relationship between the external circuit and plasma properties in radio frequency discharges. A ‘loose
coupling’ methodology allows the CFD-ACE+ Plasma solver to account for external circuit interactions to
a greater degree of generality.
The coupled SPICE-ACE+ option is available in the MO->Adv tab for CCP Plasma only. On activating the
circuit model, the user needs to select a netlist input file for the circuit. Additionally, the following settings
are needed from the user:
• Electric BC: While existing options will continue to be supported, the “External Circuit” option will
now be available for the Fixed Potential type BCs. Here the user needs to indicate the node
number that would correspond to this reactor BC as denoted in the netlist input file. In this
manner, the circuit legs at different reactor surfaces can be “hooked”.
The SPICE-ACE+ option is mutually exclusive to the capacitor-only circuit model available prior to
V2010.0. However, backward compatibility is maintained: in order to revert to the previous capacitor-only
circuit model, special DTF updates with the following 2 lines are necessary:
V_float int 1 1
Cb_per_unit_area double 1 C
where C is the single capacitance in F/m2 that would otherwise be specified in the GUI and applied to all
sinusoidal BCs.
If different capacitances are specified at N different sinusoidal BCs, the following update is required:
V_float int 1 1
RF_Vsin_Cb_Num int 1 N
RF_Vsin_Src_Freq double N f1 f2… fN
RF_Vsin_Cb_per_Area double N C1 C2… CN
Where f 1 , f 2 , ... f N are the RF frequencies of the sinusoidal BCs and C 1 , C 2 , ..C N are the capacitances in
2
F/m .
Improved Stochastic Heating Model
Capacitively Coupled Plasmas (or CCPs) are often used in the semiconductor industry to sustain etch
and deposition processes involved in the manufacture of chips. The physics of “stochastic heating” plays
an important role in such discharges, especially when lower pressures and/or higher frequencies are
used. The stochastic heating model that has been available in CFD-ACE+ for the past few years is
empirical and requires user input that is not readily available. In V2010.0, a new model has been added
for stochastic heating in Capacitively Coupled Plasmas. This model is more general and has been made
the default. In this model, an analytical formula published by Lieberman et al, is used and a novel ‘self-
aware’ approach is implemented which allows CFD-ACE+ to automatically detect regions in the plasma
where stochastic sheath heating occurs.
8
Modules
This model is based on the work of E Kawamura, I Lee and co-workers at the University of California at
Berkeley. The power due to stochastic heating is calculated using the following formulation:
Where V 1 is the integrated electric field (or the electric potential difference) from the local plasma cell to
the powered electrode, m is the electron mass, e is the electron charge, is the highest angular driving
frequency at the powered electrode and T e is the electron temperature.
This model can be activated under MO/Advanced when CCP plasma is selected. This new
implementation allows CFD-ACE+ to detect the sheath regions adjoining the sinusoidal powered
surfaces. The stochastic heating power is then computed using the formula above.
Improved Efficiency of STS Radiation Restart Capability
In earlier versions, when using the STS radiation model, there was no option to save intermediate data
(such as geometric factors, auxiliary data, etc.). Hence when a case was restarted, all this calculation had
to be done again. The calculation of this intermediate data consumes a considerable amount of time,
especially for large cases. The time consumption is further increased as the level of accuracy is raised
(low < moderate < high < extremely high).
To avoid this re-calculation of intermediate data in the case of restart, a new feature has been introduced
in V2010.0. When the solver stops after the first run, a new file with the name <filename>_sts.rst will be
created in the working directory which stores the necessary intermediate data.
At the time of restart, this file, <filename>_sts.rst, will be read and used as input – thus avoiding the need
to re-calculate the intermediate data.
In the absence of <filename>_sts.rst file in the working directory, an error message stating “STS Restart
Read Error: Error Reading STS Restart File. Will Generate STS Geometric Data” will be displayed in the
out file and the Solver will calculate the intermediate data again and continue with the simulation.
Additional Correlation Forms for the Fan Curve Model
CFD-ACE+ provides two different approaches for modeling the time-averaged effects of fans, rotors,
propellers, and other similar devices: (i) the Fan Blade Model approach, and (ii) the Fan Curve Model
approach. The Fan Blade Model approach is based on first-principles geometrical and physical modeling
of the effects of rotating blades, while the Fan Curve Model approach is a purely phenomenological one
in which a correlation is imposed between the pressure head and the shear stress across the fan plane
with the local volume flow rate or the local flow velocity across the fan plane.
In previous versions of CFD-ACE+, the user was able to supply the correlations for the Fan Curve Model
in two different forms: (i) via an input file; and (ii) using a piecewise-linear profile input into the CFD-ACE+
GUI. In V2010.0, two new forms of specifying these correlations have been added: (i) a fifth order
polynomial function (relating the pressure head or the shear stress across the fan plane with the normal
velocity across the fan plane), and (ii) a constant value (of the pressure head or shear stress across the
fan plane). In addition, in V2010.0, the layout and organization of the panels through which the user
supplies the needed input for the Fan Curve Model have been re-organized in the CFD-ACE+ GUI. The
two new input specification forms for the Fan Curve Model correlations accord more closely with the
forms in which performance data are commonly supplied by manufacturers of fans and other such
devices, and should therefore improve the usability and the convenience of the Fan Model in CFD-ACE+.
New Local Slip Wall BC Specification
9
By default, CFD-ACE+ applies a no-slip boundary-condition on all wall boundaries. This default treatment
is the most appropriate one for simulations in which the continuum assumption of fluid dynamics holds
accurately. If, however, a simulation contains regions in which the continuum assumption does not hold
accurately (such as when the flow is rarefied or when the local geometric dimensions are comparable
with the mean free path), it is more accurate to use a non-continuum boundary condition on the walls.
CFD-ACE+ allows users to apply a slip-regime (non-continuum) boundary condition on walls using the
Slip Walls Model. This model can be activated under the MO Tab (MO -> Adv -> Slip Walls), and it affects
the solutions for both the flow and the heat transfer modules of CFD-ACE+.
In earlier versions of CFD-ACE+, the “Slip Walls” Model, when activated, would be applied to all wall
boundaries present in a simulation. In V2010.0, the “Slip Walls” Model has been generalized so that it can
now be applied to individual wall boundaries that are chosen by the user under the BC Tab. This
generalization enables users to model computational domains with different flow regimes in the same
simulation.
The ability to apply the Slip Walls Model on a wall-by-wall basis is implemented as follows: if the Slip
Walls Model is activated (under the MO Tab, MO -> Adv -> Slip Walls), then the Slip Walls Model
boundary condition subtype is applied by default to all wall boundaries and to all solid-fluid interfaces in
the model. This behavior is the same as in previous versions of CFD-ACE+. In V2010.0 and onwards,
however, users can then choose to change the default Slip Model wall boundary condition subtype on any
individual wall in the usual way through the BC Tab. The Slip Wall Model boundary condition subtype can
also be applied to moving and rotating walls.
New Inviscid Wall Boundary Condition
The Wall Boundary Condition in V2010.0 has been extended by the creation of three sub-types which can
be selected by users from the GUI. These three sub-types are as follows: (i) the no-slip sub-type; (ii) the
inviscid sub-type; and (iii) the slip (or partial-slip) sub-type. Additional sub-types of the Wall Boundary
Condition type are also planned for future versions of CFD-ACE+.
The no-slip sub-type applies the regular treatment for Wall boundary conditions in CFD-ACE+ and is
identical to the default treatment for Wall boundary conditions in previous versions of CFD-ACE+. The
inviscid sub-type is a new boundary condition treatment in CFD-ACE+. This boundary condition allows
users, for example, to simulate the confining effects of boundaries without also imposing their viscous
effects, and has applications and benefits in various settings. This new inviscid wall boundary condition
sub-type is treated by allowing the wall boundary to impose a constraint only on the component of the
local flow velocity vector that is normal to the wall boundary, and to impose no constraint on the
component of the local flow velocity vector that is tangential to the wall boundary. This new boundary
condition is therefore equivalent to a symmetry boundary condition and also to a zero-shear stress
boundary condition for the flow module. The new inviscid sub-type boundary condition is available for all
flow simulations unless the Slip Walls Model is activated: in that case, users can only choose between the
no-slip sub-type and the non-continuum (partial slip) sub-type for the wall boundary condition type.
In earlier versions of CFD-ACE+, a symmetry boundary condition could have been used to achieve the
effects of an Inviscid wall sub-type. However, in a multi-physics simulation, a symmetry boundary
condition is applied to all modules, whereas the user may only wish to apply this boundary condition to
the flow module. The new inviscid sub-type allows the user to do just that; namely, to circumvent the
limitation associated with symmetry boundary conditions, and to give users the flexibility to apply an
inviscid wall boundary condition subtype for the flow module and set different boundary conditions for
other modules.
The new sub-types for wall boundary conditions in V2010.0 of CFD-ACE+ are applied as follows: all wall
boundaries are by default assigned in the CFD-ACE+ GUI the standard no-slip boundary condition (which
imposes the condition that the local fluid velocity and temperature are identical, respectively, to the local
wall velocity and temperature). Users can then visit each wall boundary condition under the BC Tab and
change the sub-type of that wall boundary condition to the inviscid sub-type. In this way, users can create
a model with an arbitrary combination of no-slip and inviscid wall boundary condition sub-types. The
10
Modules
arrangement described above also ensures the most convenient and trouble-free handling with respect to
back-compatibility (for models that were created in earlier versions of CFD-ACE+).
It should be noted that the inviscid wall boundary condition sub-type applies the “full slip” condition only
for the flow module, and not to any other module. Thus, for example, phenomena such as a temperature
jump associated with slip walls cannot be modeled through this feature. The inviscid wall boundary
condition sub-type imposes inviscid behavior only on wall boundaries. Therefore, users should not expect
to solve the Euler equations when using this sub-type; in CFD-ACE+, the fluid is still modeled as a
viscous fluid, and the Navier-Stokes Equations (not the Euler Equations) are the equation being solved to
model fluid flow.
Improved Mass Flow Balance Summary Output
The CFD-ACE+ Solver has long had the capability to output summary data containing the integrals of the
mass flux over surfaces. These surfaces include inlet and outlet boundaries, fluid-fluid interfaces, wall and
thin-wall boundaries, and solid-fluid interfaces. At wall and thin-wall boundaries and at fluid-solid
interfaces, mass fluxes only arise when fluid mass is being generated or destroyed at the surface,
possibly as a result of chemical reaction or some other mass transfer mechanism. The summary data
also contains the rates at which mass is generated or destroyed within volume sub-regions of the
computational domain, possibly due to the presence of sources or sinks of mass in those sub-regions.
The integral of the mass flux over a surface (which evaluates to the total mass flow rate through that
surface) can either be used directly as a primary solution result (for example, if a user were performing a
simulation primarily to determine the mass flow rate across some portion of a device), or as an additional,
secondary solution result. The mass flow balance summary data also contains an overall summary of the
net balance (or total sum) of the rates of mass generation and destruction in the computational domain
and the rates of mass flow across its boundaries, and this net balance, relative to the mass inflow or
outflow rate or some other appropriate scaling reference, can be used as one measure of the extent of
convergence of a solution.
In V2010.0, the mass flow balance summary output has been improved and generalized to produce more
detailed and convenient summary data. Relative to preceding versions of the CFD-ACE+ Solver, the most
important changes in the mass flow balance summary output are as follows:
• The boundary-by-boundary output is now given in terms of Surface ID values, which have
replaced the Key values that were used in preceding versions of the CFD-ACE+ Solver. The
boundary-by-boundary output is still also given in terms of the names of boundaries, just as in
preceding versions of the CFD-ACE+ Solver. Surface ID values provide a new means of
identifying and tracking surfaces and volumes in the ACE+ Suite, and they will eventually fully
supplant the Key values, which have heretofore served this identification and tracking role. Thus,
the user is still able to name boundaries in the CFD-ACE+ GUI and to have those names
reflected in the summary output, but the user will now see Surface ID values instead of Key
values in the output summary. For users who are accustomed to or prefer using Key values, a
mapping is also optionally output with the summary data to show the correspondence between all
the Key and Surface ID values for all the boundaries in a model.
• The mass flow rates across fluid-fluid interfaces are now included in the total mass flow balance
summary output.
• The mass flow rate across any grouping of individual boundaries can now be output as a single
summary flow rate for that grouping. Thus, users can now, during the simulation set-up process in
the CFD-ACE+ GUI, compose groups of boundaries, name these groups, and then view
summary mass flow rates across all the elements in these groups as if all these elements have
been agglomerated into a single boundary. For example, a user can collect all the individual inlets
of a flow apparatus together into a group and then have the total mass flow rate across all these
inlets reported in the mass flow balance summary as a single mass flow rate value for this group.
• The mass flow balance summary output is now largely independent of any domain decomposition
carried out for parallel processing or other purposes. In particular, unlike the situation with earlier
11
versions of the CFD-ACE+ Solver, if a boundary is split by, for example, a domain decomposition
operation, the mass flow rate summary will report a single line for this boundary, with the mass
flow rate summed across all the fragments of this boundary, regardless of, say, the residence of
these fragments on different processors in a parallel computation. The independence cannot be
complete because a domain decomposition process can create, eliminate, or modify existing
fluid-fluid interfaces in a computational domain, so the summary output for any such interfaces
may be accordingly affected.
• The mass flow balance summary data is now output to a separate file, named
“modelname.MASSUM”, instead of being output to the “modelname.out” file. Summary data for
volume sub-regions and for overall mass balance is still output to the “modelname.out” file as in
preceding versions of the CFD-ACE+ Solver.
• The output is now organized and formatted in a way that is more convenient for human reading
and script processing.
The output of the mass flow rate balance summary (and the output of the Key to Surface ID
correspondence mapping if this is desired too) can still be activated and controlled through the CFD-
ACE+ GUI in a similar manner to that with preceding versions of CFD-ACE+, but the user now has the
option of outputting the mass flow balance summary with a frequency independent of that for the other
outputs from the solver.
Improved Energy Flow Balance Summary Output
The CFD-ACE+ Solver has long had the capability to output summary data containing the integrals of the
energy flux over surfaces, where this flux is comprised of contributions from conduction, convection, and
radiation. The surfaces across which the energy flux is computed, integrated, and output include inlet,
outlet, wall and thin-wall boundaries, and fluid-solid interfaces. The summary data also contains the rates
at which energy is generated or destroyed within volume sub-regions of the computational domain,
possibly due to the presence of sources or sinks of energy in those sub-regions. Such sources and sinks
may be user-defined, and may also originate from phenomena and models in the Flow, Heat, Chemistry,
Spray, Electro-Magnetics, Plasma, or other modules of CFD-ACE+. The integral of the energy flux over a
surface (which evaluates to the total energy flow rate through that surface) can either be used directly as
a primary solution result (for example, if a user were performing a simulation primarily to determine the
heat flow rate across some portion of a device), or as an additional, secondary solution result. The energy
flow balance summary data also contains an overall summary of the net balance (or total sum) of the
rates of energy generation and destruction in the computational domain and the rates of energy flow
across its boundaries, and this net balance, relative to the energy inflow or outflow rate or some other
appropriate scaling reference, can be used as one measure of the extent of convergence of a solution.
In V2010.0, the energy flow balance summary output has been improved and generalized to produce
more detailed and convenient summary data. Relative to preceding versions of the CFD-ACE+ Solver,
the most important changes in the energy flow balance summary output are as follows:
• The boundary-by-boundary output is now given in terms of Surface ID values, which have
replaced the Key values that were used in preceding versions of the CFD-ACE+ Solver. The
boundary-by-boundary output is still also given in terms of the names of boundaries, just as in
preceding versions of the CFD-ACE+ Solver. Surface ID values provide a new means of
identifying and tracking surfaces and volumes in the ACE+ Suite, and they will eventually fully
supplant the Key values, which have heretofore served this identification and tracking role. Thus,
the user is still able to name boundaries in the CFD-ACE+ GUI and to have those names
reflected in the summary output, but the user will now see Surface ID values instead of Key
values in the output summary. For users who are accustomed to or prefer using Key values, a
mapping is also optionally output with the summary data to show the correspondence between all
the Key and Surface ID values for all the boundaries in a model.
• The energy flow rate across any grouping of individual boundaries can now be output as a single
summary flow rate for that grouping. Thus, users can now, during the simulation set-up process in
12
Modules
the CFD-ACE+ GUI, compose groups of boundaries, name these groups, and then view
summary energy flow rates across all the elements in these groups as if all these elements have
been agglomerated into a single boundary. For example, a user can collect all the individual fluid-
solid interfaces separating a solid object from the surrounding flow field into a group and then
have the total energy transfer rate across all these interfaces reported in the energy flow balance
summary as a single energy flow rate value for this group.
• The energy flow balance summary output is now largely independent of any domain
decomposition carried out for parallel processing or other purposes. In particular, unlike the
situation with earlier versions of the CFD-ACE+ Solver, if a boundary is split by, for example, a
domain decomposition operation, the energy flow rate summary will report a single line for this
boundary, with the energy flow rate summed across all the fragments of this boundary, regardless
of, say, the residence of these fragments on different processors in a parallel computation. The
independence cannot be complete because a domain decomposition process can create,
eliminate, or modify existing fluid-fluid interfaces in a computational domain, so the summary
output for any such interfaces may be accordingly affected.
• The energy flow balance summary replaces what was previously called the heat flow summary
(to reflect a more appropriate term and the added generalization made in this release), and this
summary is now output to a separate file, named “modelname.ENGSUM”, instead of being output
to the “modelname.out” file. Energy flow balance data related to volume sub-regions of the
computational domain and to the overall energy balance is still output to the “modelname.out” as
in preceding versions.
• The output is now organized and formatted in a way that is more convenient for human reading
and script processing.
The output of the energy flow rate balance summary (and the output of the Key to Surface ID
correspondence mapping if this is desired too) can still be activated and controlled through the CFD-
ACE+ GUI in a similar manner to that with preceding versions of CFD-ACE+, but the user now has the
option of outputting the energy flow balance summary with a frequency independent of that for the other
outputs from the solver.
Enhanced Output Controls
In V2010.0, a new set of Output Control options have been introduced that allow independent control over
the frequency with which information is written to the DTF file - Restart data (cell-center solution) and
Graphic data (nodal solution) components - and the frequency with which information is written to the
output and summary files.
The user gets to specify a general output frequency (as in previous versions) and then can override this
setting, if desired, individually and independently for Restart, Graphic and Summary data. These override
options/controls thus allow the user to manage, more efficiently, what gets written out during a simulation.
These options/controls are available for both steady state and transient simulations.
Marangoni Effects of Surface Tension for VOF
If the surface tension coefficient, σ, varies along an interface separating two immiscible fluids, this
variation will generally generate a resultant force that is tangential to the interface, and this tangential
force typically causes flow along the interface and the layers of fluid attached to it. This surface-tension-
induced tangential force and motion are called Marangoni Effects. The component of the surface-tension
force that is tangential to the interface is in addition to the component that is normal to the interface. This
normal component generally exists whenever there is surface tension, regardless of whether it varies,
and typically causes a pressure jump across the interface and motion perpendicular to the interface.
A Marangoni Effects Model has been enabled in V2010.0. This model can be activated under the surface
tension model options within the MO panels for the VOF Module. Variations in the surface tension
coefficient that lead to Marangoni Effects in CFD-ACE+ can arise from dependence of the surface tension
13
coefficient on a wide variety of solution variables or material properties, including the temperature,
species concentrations, or any other variables accessible through user subroutines.
Improved Parallel VOF Capability
In V2010.0, improvements have been made in the VOF Module to the face-pressure interpolation and to
the accuracy with which data is exchanged across inter-processor boundaries. These two sets of
improvements result in greater accuracy in the transport of the VOF function across parallel interfaces
under gravitational fields and surface-tension forces, leading to improved accuracy and performance for
parallel computations with the VOF Module.
New Parallel Domain Decomposition
In V2010.0 and earlier versions, domain decomposition can be performed by executing the
dtf_decompose script which will decompose the DTF file into the specified number of zones using the
specified method. This decomposition process runs only on one processor, i.e. it is a serial process. In
V2010.0, a new CFD-Decompose script has been introduced which will allow users to perform domain
decomposition in serial and parallel modes.
Usage: CFD-Decompose [options]
Minimum options:
CFD-Decompose --dtf=model.DTF --numZones=Nzones
Decompose sim 1 (assumed) into Nzones (using serial code).
Minimum options for a parallel run:
CFD-Decompose --dtf=model.DTF --numZones=Nzones --dmp --
numProcs=Nprocesses
Decompose sim 1 (assumed) into Nzones using Nprocesses in DMP mode locally
(current directory is working directory, running only on local machine).
For more information regarding this script and the options available with it, please refer to the CFD-ACE+
V2010.0 User Manual.
Parallel Processing improvements and the CFD-SOLVER script
Over the past few releases, CFD-ACE+ has supported several MPIs (Message Passing Interfaces)
including MPICH, HP-MPI and other native MPIs. In these previous versions, the MPI libraries have been
tightly tied to CFD-ACE-SOLVER requiring a different executable for each MPI library (e.g., CFD-ACE-
SOLVER-MPICH-MPI, CFD-ACE-SOLVER-HP-MPI, etc…). Starting with V2010.0, MPIs are called
dynamically - a single solver executable calls the chosen MPI library at runtime.
Also, the older parallel script cfd-ace-mpi is no longer supported. Users should use CFD-SOLVER
introduced in V2009.4.
Support for Single Processor Run
In previous versions, the parallel script (cfd-ace-mpi or CFD-SOLVER) used a MPI executable (e.g., CFD-
ACE-SOLVER-HP-MPI) even if the number of parallel process was just one (serial). This resulted in
certain additional overhead related to MPI. In V2010.0, this additional overhead related to MPI is
removed. Most users would not see any difference.
Usage example:
CFD-SOLVER -dtf filename.DTF
Support for HP-MPI on all Platforms
14
Modules
HP-MPI has been supported on Linux platforms for a while and on Windows platforms since V2009.4. In
V2010.0, HP-MPI continues to be supported on all platforms.
Usage example:
CFD-SOLVER -dtf filename.DTF -num 2 -hpmpi
Support for MPICH2 on Linux Platforms
In V2010.0, MPICH 2 support has been added on all Linux platforms. MPICH 2 can be invoked through
CFD-SOLVER script using the –mpich2 option.
Usage example:
CFD-SOLVER -dtf filename.DTF -num 2 -mpich2
Users do not have to install any additional software. However, there are a few additional steps necessary
to use MPICH 2 properly.
Verify that a secret word is registered
MPICH 2 requires a secret word to distinguish the mpd processes of different users. This secret word
should be saved in a file .mpd.conf within your home directory with read/write permissions only for the
owner and not accessible by anyone else. This can be any word and doesn’t have to be your password.
This should be done on all nodes.
From a command prompt, issue the following commands:
$ echo ‘‘MPD_SECRETWORD=xxxxxx’’ > $HOME/.mpd.conf
$ chmod 600 $HOME/.mpd.conf
Here “xxxxxx” is the secret word you have chosen.
If you are running as root, create at /etc/.mpd.conf with the same content and permissions.
Note: SELinux File Context Settings
Users with Security Enhanced Linux (SELinux) may experience some issues where certain CFD-ACE+
libraries are not allowed to load. To avoid this, SELinux should be configured to allow CFD-ACE+ libraries
to load. One method of doing this is shown below.
From a command prompt, issue the following command:
$ chcon -t textrel_shlib_t $ESI_HOME/2010.0/ACE_SOLVER/lib/*.so
Your system administrator may also be able to achieve this in a different way or disable SELinux.
Gas phase reaction mechanism for SF6/O2 Plasma Chemistry
In V2010.0, a gas phase reaction mechanism for low temperature plasmas sustained in SF6/O2 mixtures
has been added to the Database.
Unified LUT Generation for Plasma
In V2009.4, a new capability to automatically generate lookup tables (LUT) for non-Maxwellian electron
energy distribution functions (EEDFs) was implemented. This is pertinent to cases where the Plasma
module is activated but not the Kinetics module. This new capability allows most users to skip the manual
procedure of running a one-cell problem first and updating the case file as documented in the manual for
LUT generation. The old capability remains supported for backward compatibility and for advanced users.
Faster Calculation of Momentum Resistance Forces and Moments
15
In V2009.4, an additional algorithm was implemented for computing the forces and moments applied by
the pressure on a momentum resistance element. The forces and moments are computed in this
algorithm by summing the elemental forces and moments applied by the pressure only (that is, excluding
the shear forces) on each external face of each grid cell included in the momentum resistance region.
While this new algorithm is just as valid and accurate as the previous algorithm (from both a theoretical
viewpoint and a discretized implementation), it has the advantage of running in a small fraction of the time
of the previous algorithm for any practical case with a large number of cells. The user can select which
calculation algorithm is to be used for momentum resistance force and moment summary for a particular
simulation. Unless the user has some specific need to have the pressure and moment calculations
performed on a surface mesh set up around a momentum resistance, the user should always select the
new algorithm in preference to the older one.
Mass Flow Rate BC for Parallel
In V2009.4, the fixed mass-flow-rate inlet boundary condition was extended to work in parallel-
computation mode, enabling this boundary condition to be applied freely to any boundary patch, without
regard to whether the computation will be run in parallel or serial mode, and without regard to the manner
in which domain partitioning may divide the boundary patch.
New Frontal Area Calculation for a Set of Surfaces
The Frontal Area projection tool, introduced in CFD-ACE+ Solver (and CFD-ACE+ GUI) in V2009.4,
calculates the projected area of a set of surfaces on a plane. A typical application of this tool would be to
compute the frontal area of a vehicle in external aerodynamics simulations for drag coefficient calculation.
New Dielectric Charge Leakage for CCP Plasma
In V2009.2, a new model for charge leakage in dielectrics was implemented in the CCP Plasma Module
of CFD-ACE+.
In any plasma environment, the solid materials in contact with the plasma fall into one of two broad
categories: metals, or dielectrics. Due to their high conductivity, grounded metals do not retain electric
charge, whereas dielectrics can retain both bulk and surface electric charge. Prior to V2009.2, charge on
the dielectric surfaces bordering the plasma was generated or destroyed, accounting only for the
incoming flux of charged species. In some simulations, it may be desirable to account for the leakage of
electric charge through the volume of such a dielectric, if that dielectric happens to be partially conducting
or “lossy”. This capability was implemented in V2009.2. Given the conductivity of such a lossy dielectric,
the charge within the dielectric is updated using the charge conservation equation, in addition to the
electric potential, as part of the solution process. This feature is restricted to the CCP Plasma Model.
In the volume of the partially conducting dielectric material, the charge conservation equation is solved in
addition to the Poisson’s equation for the electrostatic potential. The volumetric charge is solved explicitly
at each computational cell using the standard finite volume method. The current density term is assumed
to be due to current conduction only. At the surface of the dielectric bordering the plasma, the surface
charge density calculation allows for charge leakage into the volume of the dielectric, in addition to the
flux of all charged particles. At metallic boundaries, zero charge and the applied electric potential are
enforced. The relevant input property for the lossy dielectric feature is the user-supplied electrical
conductivity in the lossy dielectric, specified in units of 1/Ohm-m.
The current model explicitly updates the volumetric charge inside the lossy dielectric material and so the
limitation that arises is that the time steps are constrained by the dielectric relaxation rate. The
computation will diverge if the user input for the electrical conductivity and the time-step are such that the
dielectric relaxation criterion might be violated, i.e., Δt CCP > ε/σ where ε is the permittivity and σ is the
conductivity of the lossy material. For instance, with a Δt CCP of 1ns, the upper limit for σ would be 8.85e-3
16
Modules
(1/Ohm-m), and so on. Conversely, one can determine the upper limit on Δt CCP given the conductivity. An
implicit method that circumvents the dielectric relaxation criterion may be implemented in the future.
New Realizable K-ε Turbulence Model
In V2009.2, a Realizable K-ε Turbulence Model (hereinafter called the RKE Model) was implemented in
CFD-ACE+.
The RKE Model is most readily characterized and described as a variant of the Standard K-ε Turbulence
Model. In particular, the RKE Model can be derived from the Standard K-ε Model by the following: (i)
replacing the transport equation for the rate of dissipation of turbulent kinetic energy in the Standard K-ε
Model with a similar transport equation that models the dissipation rate based on the dynamic behavior of
the mean square vorticity fluctuation in the high turbulent Reynolds Number limit; and (ii) replacing the
eddy viscosity equation of the Standard K-ε Model with an eddy viscosity equation that ensures
satisfaction of the realizability constraints (for the turbulent normal and shear stress components). The
aim of these two modifications is to overcome some of the recognized defects of the Standard K-ε Model;
namely, (i) the inaccurate reflection of the turbulent length scales in the transport equation for the
dissipation rate; and (ii) the over-prediction of the eddy viscosity for high shear rates.
The RKE Model will give better predictions than the Standard K-ε Model for flows with high mean shear
rates and for flows with large-scale separations. These improved predictions should be in all turbulence-
dependent quantities, such as wall shear stresses, boundary-layer thicknesses, the locations of
separation and re-attachment points, and so on. On the other hand, the Standard K-ε Model will retain the
accuracy advantage over the RKE Model in flows with dominant boundary layers and weak or no
separations, since by its formulation, the model dissipation equation of the RKE Model is valid in the limit
of high turbulent Reynolds Number. Other than for the above, the RKE Model retains most of the
characteristics, properties, strengths, and weaknesses of the Standard K-ε Model, especially with respect
to the flow regimes for which it is most applicable, and with respect to convergence behavior and
computational resource requirements. A typical application for which the RKE Model should give better
predictions than the Standard K-ε Model would be separated flow around a car or bluff body.
By its formulation, the RKE Model must always be used with appropriate wall functions, such that the y+
value is no less than 30, and preferably closer to 60 or 80, and with the same guidelines and limitations
that apply for any High Reynolds Number K-ε Model.
The RKE Model can be activated from the GUI as a separate new turbulence model, and the chosen wall
function can also be selected from the GUI just as it would be for all other turbulence models that require
a wall function. The wall functions that can be chosen for the RKE Model are currently the following: (i)
Standard Wall; (ii) Two-Layer Wall; and (iii) Non-Equilibrium Model. The RKE Model runs in parallel
mode, and with all the other modules that are currently coupled with the turbulence module.
User Subroutine Option to Specify Porous Media Resistance Direction
Prior to V2009.2, users could specify the direction vectors of an anisotropic resistance (porous media)
only as constants that remain fixed throughout a computation. Starting with V2009.2, users may invoke a
newly added user subroutine (udirection) to set (or to change) the direction vectors of the anisotropic
resistance on a local, cell-by-cell basis. This capability gives users more flexibility in specifying anisotropic
properties, including the flexibility to vary direction vectors depending on the solution or other global or
local runtime variables.
The UDIRECTION user subroutine is called on a cell-by-cell basis for each volume condition where the
user specifies or selects the “User Sub (udirection)” option for anisotropic properties in the GUI.
Other enhancements/improvements
17
• Prior to V2009.2, an Arbitrary Interface touching a Thin Wall (along an edge or at a point) was not
permitted. This limitation was removed in V2009.2, giving users more flexibility with modeling
typical applications in which Thin Walls and Arbitrary Interfaces occur in combination.
• A number of non-repeatable and sporadically-occurring problems on the MS-Windows 64-bit
platform, including stack overflow, memory corruption and mysterious crashes, were resolved in
V2009.2 by correcting the datatype of the hidden string length parameter in the Fortran/C
interface functions.
CFD-ACE+ GUI 2010.0

CFD-ACE+ GUI V2010.0 includes all new features and improvements developed in the last 20 months,
i.e. since the V2009.0 release in December 2008. It also includes all development that was required to
enable or support the new features in CFD-ACE+ Solver.
Database Manager Enhancements
The Database Manager, which CFD-ACE+ users have access to, includes some new features and
improvements in V2010.0. These include a new shared level, new folder structure, additional
import/export capabilities, drag-and-drop support, new scripting functions, among others. For more
information on this, please refer to the Appendix at the end of this document.
New Group Categories
Some features of CFD-ACE+ might require the user to group boundaries together (e.g. for the calculation
of the projected area of a collection of surfaces). In order to accommodate this procedure, a capability
has been added in CFD-ACE+ GUI V2010.0 to allow the grouping of boundaries by categories, where
each category pertains to a particular feature. These boundary groups can be created through the Model
Explorer, and will appear under the “Group Categories” branch of the simulation Geometry Tree.
The available categories are:

• Projected Area
• Mass Balance Summary
• Energy Balance Summary
For each category, the Model Explorer displays the name of the boundaries, other categories and groups
to which boundaries might belong, and the boundaries’ key (from CFD-GEOM) and ID (useful for post-
processing summary reports).
18
Modules
For details regarding the features that use/require these group categories, please refer to the relevant
feature information in this document or in the User Manual.
CFD-ACE+ GUI 2009.4
New Frontal Area Calculation for a Set of Surfaces
The Frontal Area projection tool, introduced in CFD-ACE+ GUI (and CFD-ACE+ Solver) in V2009.4,
calculates the projected area of a set of surfaces on a plane. A typical application of this tool would be to
compute the frontal area of a vehicle in external aerodynamics simulations for drag coefficient calculation.
Starting with V2010.0, a ‘Projected Area’ group category has been introduced in CFD-ACE+ GUI for more
efficient use of this tool.
Using Help
This help system is arranged in two volumes:
Volume I - User Manual describes the CFD-
Volume II - Modules contains a section for each
ACE+ operations and features of the CFD-ACE-
of the CFD-ACE+ modules that appear in the
Solver which are module independent:
Problem Type (PT) Panel:
• User Manual Overview • Flow

• Database Manager • Heat Transfer
• Arbitrary Interface Boundary Conditions • Turbulence
• Thin Wall Boundary Conditions • Chemistry
• Cyclic Boundary Conditions • User Scalar
• Periodic Boundary Conditions • Radiation
• Fan Model • Cavitation
• Momentum Resistance • Grid Deformation
• Porous Media • Stress
• Rotating Systems • Electric
• Parallel Processing • Magnetic
• User Subroutines • Spray
• Numerical Methods • Macro Particle
• Mixing Plane • Free Surface (VOF)
• Filament Model • Plasma
• Electrokinetics • Two-Fluid
• Ionization • Kinetic
• Electroplating • Semi Device
• Dielectrophoresis (DEP)
• Solidification
• Fuel Cell Modeling
• Biochemistry
• Appendix A - CFD-ACE+ Files
• Appendix B - DTF Utility
19
• Appendix C - GUI Scripting
We recommend that you first read the User Manual Overview to learn the basics of how the CFD-ACE+
application works. Then review the remaining information in the User Manual and Modules that apply to
your application of interest for details on using each module or feature.
It is also worthwhile to review the Introduction, Applications, and Features sections of each module to
determine if they can help you to model your systems.
Getting Started
How to execute the software:
To execute the graphical software (once the environment and path has been set according to the
installation instructions that can be found on the CFD Portal) from the command line, enter one of the
following commands in a DOS window on Windows Systems or in a shell on Linux/UNIX systems:
• CFD-GEOM
• CFD-CADA
• CFD-VisCART
• CFD-ACE-GUI
• CFD-FASTRAN-GUI
• CFD-TOPO-GUI
• CFD-VIEW
• SimManager
The appropriate solver can be executed from CFD-ACE-GUI, CFD-FASTRAN-GUI, CFD-TOPO-GUI, or
SimManger. They can also be submitted from the command line using:
• CFD-ACE-SOLVER -dtf model.DTF
• CFD-FASTRAN-SOLVER -dtf model.DTF
• CFD-TOPO-SOLVER -dtf model.DTF
If multiple versions of the software have been correctly installed, then the old version can be executed
using: CFD-GEOM -runver 2006 (which will run version 2006 of GEOM).
Note your license file will dictate which applications you can execute.
How to add shortcuts to the Start Menu:
Windows users that installed via CD will have short cuts under Start -> Programs -> ESI-Software. If
your software was received via ftp or the CFD portal, then you can create your own short cuts. To do so:
1. Create an ESI_Software folder typically under C:\Documents and Settings\All Users\Start
Menu\Programs
2. Copy the desired icons from the latest 20xx.x\UTILS\icons directory in the ESI_Software folder
3. In Windows Explorer, right click on the icon and select: Create Shortcut
4. Right click on the just created shortcut and select: Properties
5. Change the target to the desired application in the 20xx.x\UTILS\bin directory (for instance: CFD-
VIEW.exe)
20
Modules
6. Change the Start in directory to your desired starting location

7. Select the Change Icon button and browse back to the originally icon in the 20xx.x\UTILS\icons
directory and select the appropriate icon.
8. Delete the icon that is setting Start Menu\Programs directory
9. Repeat as needed
Note the target string can contain at the end the -runver option (ie. -runver 2006) so that a specific version
of the software can be executed. If this option is not specified, by default the latest version found will be
executed.
Where to request a license file:
The following table gives the email address where to request a license key:
Region Contact Person 1 Contact Person 2
Matteo.Palmonella@esi-
Africa
group.com
Asia Pacific
China Catherine@atechina.com
Japan HF@esi.co.jp
Korea LJS@esi.co.kr
Venugopal.Rallabhandi@esi-
India
group.com
Rest of Asia Chan.Yin.Chau@esi-group.com
Australia / New Zealand Chan.Yin.Chau@esi-group.com
Europe
Eastern Europe Vera.Batkova@mecasesi.cz Jan.Stych@mecasesi.cz
France Joann.Marchais@esi-group.com
Germany Christine.Koch@esi-group.com
Italy Denis.Luci@esi-group.com
Emilio.Mencia.de.Miguel@esi-
Spain
group.com
United Kingdom Trevor.Edwards@esi-group.com
Rest of Europe
group.com
Middle East
group.com
Americas
North Amy.Teets@esi-group.com
South Arthur.Camanho@esi-group.com
Or contact your local ESI Sales Representative.

How to Report Problems
If you experience problems while using CFD-ACE-GUI/SOLVER, you can report your problem by:
21
• E-mail: support.cfd@esi-group-na.com
• Telephone: 256-713-4750 (United States country code is 01)
When reporting a problem it is important to have the following information:
• CFD-ACE-GUI version number
• CFD-ACE-Solver version number
• Modules you were using
• Type of problem you were trying to solve
• Any error messages you may have received in the modelname.out file or screen
To find the CFD-ACE-GUI version number or the DTF version number:

1. Open the CFD-ACE+ application.
2. Click on the Help menu.
3. Select the About CFD-ACE-GUI option.
4. Make a note of the version number.
-OR-
1. Open a command prompt.
2. On the command line, enter CFD-ACE-GUI -v and press Enter. (Note that the command is CFD-
ACE-GUI(space)-v and the command is case sensitive in most environments) A file is created
(CFD-ACE-GUI.version) which contains the build date and version information. The file will be
created in the current working directory.
To find the CFD-ACE-Solver version number:

1. Note the version number at the top of the CFD-ACE-GUI modelname.out file.
-OR-
1. Open a command prompt.
2. On the command line, enter CFD-ACE-SOLVER -v and press Enter. (Note that the command is
CFD-ACE-SOLVER(space)-v and the command is case sensitive in most environments) A file is
created (CFD-ACE-SOLVER.version) which contains the build date and version information. The
file will be created in the current working directory.
Flow Module
Flow Module Introduction to Flow Module

The Flow module is the heart of CFD-ACE+ and is used in most simulations. Activating the Flow Module
implies the solution of the velocity field by solving for the x, y, and z momentum equations, and the
pressure field by solving the pressure correction equation. You can use the Flow module with one or
more of the CFD-ACE+ modules to provide a multi-physics based solution to an engineering problem
(such as couple flow with heat transfer, mixing, finite-element stress solution, etc.). The Flow module
includes the following sections:
• Applications
• Features and Limitations
• Theory
• Implementation
• Frequently Asked Questions
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Modules
• Examples
• References
Flow Module Applications of the Flow Module
The Flow Module allows CFD-ACE+ to simulate almost any fluid (gas or liquid) flow problem. Both
internal and external flows can be simulated to obtain velocity and pressure fields. Below are some
examples of applications that use the Flow Module exclusively as well as a list of other modules that can
be used together with this module to produce a multi-physics simulation. It is assumed that the flow is
laminar unless the Turbulence Module is activated.
Flow Visualization
CFD-ACE+ flow solutions can be used to provide detailed information about the flow field. For example,
vector plots can be used to depict the magnitude and direction of the flow velocity. Streamline traces can
also be produced to show how the flow progresses through the solution domain.
Pressure Field Calculations

The Flow Module is often used to determine the pressure field within a given geometry. Using CFD-ACE+
to predict the pressure drop through a device can help determine the amount of power needed to drive
the flow. For external flow applications, the pressure field can be used to obtain pressure forces acting
upon the body.
Mass Flow Calculations

The Flow Module solves the velocity and pressure equations, and hence can be used to determine the
mass flow characteristics of an internal flow system. CFD-ACE+ can determine the mass flow rate
through a system for a given differential pressure. Mass flow calculations are also useful for determining
flow splits when the flow is bifurcated.
Multi-Physics Applications
You can use the Flow Module with many of the other CFD-ACE+ modules to perform multi-physics
analyses. The more commonly added modules are listed below. Examples of these types of applications
are given in each module’s section.
• Turbulence (Flow is required)
• Heat Transfer (with or without radiation)
• Chemistry (Flow is required)
• With or without gas-phase and surface reactions
• Biochemistry
• User Scalar
• Spray (Flow is required)
• Free Surfaces (Flow is required)
• Two Fluid (Flow is required)
• Cavitation (Flow is required)
• Grid Deformation
• Finite Element Stress
• Plasma (Flow is required)
• Kinetic
• Electric and Magnetic Module (Electrophysics)
23
Flow Module Features and Limitations of the Flow Module

Features
The Flow Module has many inherent features that may or may not be activated for any given simulation.
Non-Newtonian Viscosity Options
The Flow Module can model non-Newtonian flows through the use of power law and Carreau law
viscosity property options. (See Volume Conditions for details on activating non-Newtonian viscosity
properties).
Swirl Model
A swirl model provides a solution for tangential velocity (W) in 2D-axisymmetric geometries. This feature
can be used to yield 3D results from a 2D axisymmetric computational grid system, thus saving
computational resources.
Slip Wall Boundary Conditions
The default treatment for Wall boundary conditions is the no-slip condition for momentum and heat
transfer (i.e., all velocity components are set to the wall velocity, usually zero, and the gas temperature is
set to the wall temperature). However, at low pressures (on the order of 1 mTorr) the no-slip boundary
condition is no longer appropriate. For this reason. a slip wall model (MO > Adv > Slip Walls) is included
that allows for velocity slip and a temperature jump at the walls. (See Theory-Slip Walls for details about
this model). If the Slip Walls Model is activated, the Slip Model boundary condition is enforced at all Walls
and the Solid-Fluid Interfaces by default, but the user can also set No-Slip boundary condition for each
wall separately. This allows the user to apply the Slip Model and the No-Slip condition on a wall-by-wall
basis. The Slip Wall model can also be applied to Rotating Walls and Solid-Fluid Interfaces.
Hemolysis Model
Shear stress exerted on the blood may damage or destroy the red blood cells. The phenomena of
destruction of red blood cells and subsequent release of hemoglobin is called hemolysis. This occurs
commonly when vascular access is made using a vascular device, for example using a needle or a
catheter. Hence, it is essential to operate these devices a safe operating mode so that the maximum
shear stress is well below the threshold stress for hemolysis. The geometry and orientation of the
vascular devices may cause the maximum stresses to occur at the device wall rather than the venous
wall. Hence, the classical Poiseuille theory for predicting maximum shear stress cannot be applied to
assess the device performance. Secondly, the sub-threshold damage to the cells may accumulate over
the time and account for delayed hemolysis. An explicit Lagrangian type particle tracking scheme is
developed in CFD-ACE+ as a post processing tool, to compute mass-averaged hemolysis index. See the
Hemolysis Model for details on how to activate this feature.
Simple Flow Models
Reduced flow models are provided to take advantage of theoretical assumptions to include more physics
in the solution process. Their use is only applicable to a small set of problem types. However, when used
they can produce highly accurate results with less computational resources. See Simple Flow Models for
the theory behind these models and for details on how to implement this feature.
Limitations
Although the Flow Module can handle compressible flows, the pressure-based method that CFD-ACE+
uses is not ideally suited to higher supersonic flows. CFD-ACE+ has been validated for supersonic flows
24
Modules
with Mach numbers on the order of two. For higher Mach number flows, use a density-based solver like
CFD-FASTRAN.
Theory
Flow Module
Flow Model Theory
The governing equations for the Flow Module represent mathematical statements of the conservation
laws of physics for flow.
• The mass of a fluid is conserved, i.e. there is no loss or gain of mass in the system.
• The time rate of change of momentum equals the sum of the forces on the fluid (Newton’s second
law).
You can use these two laws to develop a set of equations (known as the Navier-Stokes equations), which
CFD-ACE+ to solves numerically using an iterative method.
Mass Conservation
Momentum Conservation
Navier-Stokes Equations
[1]
Mass Conservation
Conservation of mass requires that the time rate of change of mass in a control volume be balanced by
the net mass flow into the same control volume (outflow - inflow). This can be expressed as:
(1-1)
The first term on the left hand side is the time rate of change of the density (mass per unit volume). The
second term describes the net mass flow across the control volume’s boundaries and is called the
convective term.
[1]
Momentum Conservation
This section describes the mathematical equations used by the Flow Module. See Numerical Methods for
details on the methods used to solve these equations.
Newton’s second law states that the time rate of change of the momentum of a fluid element is equal to
the sum of the forces on the element. We distinguish two types of forces on the fluid element:
Surface forces
• Pressure forces
• Viscous forces
Body forces
• Gravity force
• Centrifugal force
• Electromagnetic force
• Surface tension force
• Momentum resistance
• Porous media forces
25
This section describes the surface forces. The body forces are included as source terms and are
discussed in the chapters for gravitational and rotational body forces (see Rotating Systems ). Also see
Magnetic Module for information on the body forces produced by that module.
The x-component of the momentum equation is found by setting the rate of change of x-momentum of the
fluid particle equal to the total force in the x-direction on the element due to surface stresses plus the rate
of increase of x-momentum due to sources:
(1-2)
Similar equations can be written for the y- and z-components of the momentum equation:
(1-3)
(1-4)
In these equations, p is the static pressure and τ ij is the viscous stress tensor.
[1]
Navier-Stokes Equations
The momentum equations, given above, contain as unknowns the viscous stress components τ ij ,
therefore a model must be provided to define the viscous stresses.
In Newtonian flows, the viscous stresses are proportional to the deformation rates of the fluid element.
The nine viscous stress components (of which six are independent for isotropic fluids) can be related to
velocity gradients to produce the following shear stress terms:
(1-5)
(1-6)
(1-7)
(1-8)
(1-9)
(1-10)
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Modules
Substitution of the above shear stress terms into the momentum equations yields the Navier-Stokes
equations:
(1-11)
(1-12)
(1-13)
By rearranging these equations and moving the smaller contributions of the viscous stress terms to the
momentum source term, we can rewrite the Navier-Stokes equations in a more useful form:
(1-14)
(1-15)
(1-16)
For more details on the discretization of these equations and the method used to obtain velocity-pressure
coupling please see the Numerical Methods.
Flow Module
Simple Flow Model
Introduction
The Simple Flow Model in CFD-ACE+ assumes that the velocity profile perpendicular to a wall boundary
is given by the parabolic velocity profile of laminar flow theory for fully-developed flow. This profile is
internally assumed or imposed within each cell that has a face lying in a wall boundary that is identified or
designated by the user to be a "simple-flow" boundary.
The complete velocity profile under the laminar, fully-developed flow assumption mentioned above is fully
parameterized by the velocity at the centroid of the boundary cell. Thus, every needed property related to
the velocity profile, including the shear rate and the shear stress at the wall is fully determined from the
27
velocity at the cell centroid. The shear stress at the wall is then used in the momentum equation in the
usual way, just as it would have been used if the shear stress at the wall were computed by any other
means.
Effectively then, the Simple Flow Model assumes a local velocity profile from which the needed shear
stress can be deduced without having to use multiple computational cells to resolve the velocity profile
(and the shear stress) at the wall. This means that the pressure drop or flow rate along a wall boundary
can be determined using this model with only a fraction of the number of computational cells needed for a
fully-resolved computation. On the other hand, the greater the deviation of the real velocity profile from
the assumed parabolic velocity profile of laminar flow theory, the greater the loss of accuracy compared
to a fully-resolved computation, which in the limit is assured to be accurate.
As an example of the application and compromises made in using the Simple Flow Model, consider the
case of axial flow in a duct with a rectangular cross-section. If the flow is laminar, it will be necessary to
have at least, say, eight cells along each edge of the cross-section of the duct to resolve the velocity
profile and accurately predict the corresponding pressure gradient or flow-rate along the duct. On the
other hand, with the simple flow model, a singe cell can be used to represent each axial section of the
duct, leading to a reduction in the number of cells (relative to the resolved, 8 x 8, computation) by a factor
of 64. On the other hand, if the flow is known to be not laminar, or if the edge or corner effects in the flow
are appreciable, then the use of the simple flow model could result in significant deviations from the
actual physical problem (and from the corresponding full-resolution computation).
As can be inferred from the above, a typical attractive use of the Simple Flow Model would be for
modeling flow networks, including micro-channel systems, where the Reynolds Number is sufficiently low
to ensure that the flow will be strictly laminar, and where geometric complexity or the additional physical
models that are active in the simulation require the number of cells to be kept to a minimum, the more so
if the simulation is transient with a small time scale.
The Simple Flow Model in CFD-ACE+ is implemented in two different variants which are described in
more detail below.
Features
This model is primarily intended for fully developed laminar flow between a pair (or two pairs) of walls that
are facing each other. The facing walls need not be parallel to each other. The walls can be straight or
curved and can be moving as well. Examples of flows which can be simulated are fully developed laminar
flows in channels of rectangular cross-section. This model can also be used to calculate the wall shear
stresses in laminar boundary layers when it's not affordable to resolve the boundary layer. For fully-
developed laminar flow between two parallel plates the predictions of the Simple Flow Model are exact.
Implementation
There are three options available for using the Simple Flow Model in the Flow Module:
1. High Order Wall Local - options 2 and 3 below apply globally to all walls in the geometry. This
option allows the user to choose a sub-set of walls, in the geometry, for options 2 and 3.
2. Second Order Wall Global - applies second order wall model globally, i.e. to all walls in the
geometry. This option models the wall shear-stresses in laminar boundary layers when it is not
desired to resolve the boundary layer. There can be multiple cells next to the wall for which this
option is specified as shown in figure 1(c).
3. One Cell Wall Global - applies one cell wall model globally, i.e. to all pairs of walls facing each
other in the geometry. This option models the shear-stress at walls by assuming a parabolic
velocity profile between the two pair of walls on which this option is specified. By applying this
option to a rectangular cross-section, two parabolic velocity profiles - one for each pair of walls -
will be imposed. There can be only one cell between the two pairs of walls on which this option is
specified as shown in figure 1(a).
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Modules
Figure 1: Suitable grid configurations for different Simple Flow Model options
Simple Flow Model Theory
As explained above, the Simple Flow Model in CFD-ACE+ is implemented in two different variants.
One Cell Wall Option
This option is intended to model the effects of a parabolic velocity profile between two walls facing each
other. The shear-stress at the walls is calculated assuming a parabolic profile for velocity.
(1-17)
where a, b, and c are constants, and y is the local distance normal to the wall. The parameters a, b, and c
are such that the velocity profile satisfies the following three boundary conditions:
at wall 1, where is the tangential velocity of wall 1, and
at wall 2, where is the tangential velocity of wall 2.

CFD-ACE+ solves the Navier-Stokes equations to get the cell volume average value of velocity. The
assumed velocity profile satisfies the condition:
where is the cell volume average value of velocity and is obtained from the standard numerical solution
process, is the assumed velocity profile, and V is the cell volume.
By applying this option to a rectangular cross-section, two parabolic velocity profiles - one for each pair of
walls - will be imposed.
Second Order Wall Option
This option is intended to represent the effect of boundary layers attached to wall boundaries. The
Second Order Wall option differs from the One Cell Wall option in the wall that the velocity profile in
29
equation 1-17 is chosen. Instead of applying equation 1-17 between two opposite walls, the Second
Order Wall option applies the equation only in the cell adjacent to the wall. The relevant boundary
conditions satisfied by the velocity profile are:
at the wall,
at the cell center,
at the cell center, where is the tangential wall velocity, and U is the velocity obtained from the
standard numerical solution process.
Simple Flow Model Limitations
• The One Cell Wall option is supported for grids which can be created by perpendicular extrusion.
For example, extruding lines to create quadrilaterals in 2D, or extruding triangles or quadrilaterals
to create prisms or hexahedra, respectively, in 3D. For grids which cannot be created by
perpendicular extrusion, the model may still work but there will be some loss of accuracy.
• For the One Cell Wall option, the velocity in CFD-VIEW will appear appear to be wall velocities
(or zero). This is due to the fact that CFD-VIEW outputs values at the nodes of the cells and all
the nodes lie on a wall boundary (as shown in figure 1(a)), and for stationary walls the velocity is
zero for no-slip conditions. This is a limitation of visualization that the velocities calculated by
CFD-ACE+ cannot be displayed. The results can be verified by visualization of pressure
distribution, density, etc., which can all be viewed in the usual way.
• The model assumes fully developed flow which is true beyond the entrance length for a given
flow. An approximate correlation for entrance length is given by Shaw and London (1978) as
where Re is the Reynolds number based on mean flow velocity, , is the

hydraulic diameter, A is the cross-sectional area, and is the wetted-perimeter.
• This model assumes a parabolic velocity profile locally perpendicular to the wall boundary. This
parabolic velocity profile coincides exactly with the analytical solution for fully-developed laminar
flow between two infinite parallel plates. Therefore, the predictions of the Simple Flow Model are
exact for such a case, and are highly accurate for channels of rectangular cross-section with high
aspect ration. For channels of rectangular cross-section with low aspect ration using a parabolic
velocity profile for rectangular ducts under-predicts the pressure gradient for a given mass-flow
rate or the mass-flow rate for a given pressure gradient. The percentage error in pressure
gradient as a function of the aspect ratio is shown in figure 2. The error increases as the aspect
ratio of the duct increases and is maximum for square cross-sections.
30
Modules
Figure 2: Percentage Relative Error ( ) as a function of aspect ration in using

parabolic velocity profile for channels of rectangular cross-section
• There is a loss of accuracy if the flow is turbulent or transitional.
• There is a loss of accuracy for unsteady flows. The stronger the time dependence of the flow, the
greater the loss of accuracy.
• If the walls are not parallel to each other but are inclined at an angle as shown in figure 3 the
velocity profile at a given cross-section is parabolic if , where Re is based on the local
maximum velocity and the local distance between the two plates at the cross-section. The shape
of the velocity profile for three different values of is shown in figure 3. For converging
channels ( ), the velocity profile deviates from the parabolic shape and becomes flatter as
decreases. For diverging channels ( ), when a back-flow region may
develop, as shown in figure 3.
• When using the Second Order Wall option, the center of the cell adjacent to the wall should lie
outside the boundary layer because this model assumes this cell-center velocity to be the free-
stream velocity. This model does not account for the variation of boundary layer thickness with
distance (i.e. as over a flat plate) and the grid should be constructed such that the size of the cells
adjacent to the wall is greater than the local boundary layer thickness.
Figure 3: Dependence of velocity profile between two infinite plates as a function of
31
Visualization of Results
• It is not possible to visualize the assumed parabolic velocity profile in CFD-VIEW. CFD-ACE+
only outputs values at the nodes of cells, it does not output interpolated values that show
variation within individual cells.
• For the One Cell Wall option, the velocity in CFD-VIEW will appear to be the wall velocities (or
zero). This is due to the fact that all the nodes lie on a wall boundary, and for stationary walls the
velocity is zero for no-slip conditions. This is a limitation of visualization that the velocities
calculated by CFD-ACE+ cannot be displayed. The results can be verified by visualization of
pressure distribution, density, etc., which can all be viewed in the usual way.
References
Shaw, R. K. and London, A. L., Laminar Flow Forced Convection in Ducts: a source book for compact
heat exchanger analytical data, New York; Academic Press, 1978.
Flow Module
Slip Wall Theory
Assuming that the U s is the slip velocity, U w is the wall velocity (for a stationary wall, U w = 0), the slip
boundary condition formulation as adopted in CFD-ACE+ is:
(1-21)
where:
Accommodation coefficient
=
(user input)
the mean free path

(calculated in the code, as a
= function of molecular
diameters, local pressure,
and temperature )
Molecular diameter (hard

=
wired value = 3.579e-10m)
Avagadro's number =
=
6.023e26 atoms/kmol
Gas constant = 8314 J/kmol-

=
K
= Local temperature (K)
= Local absolute pressure (Pa)
Normal velocity gradient at

=
the wall
32
Modules
For temperature slip, we have (assuming and are the slip and wall temperatures, respectively):
(1-22)
where:
= Normal temperature gradient at the wall
To activate this model, see Modules > Flow Module > Features and Limitations of the Flow Module.
Model Setup
Flow Module
Implementation and Grid Generation
The Implementation section gives details about how to setup a model for simulation using the Flow
Module. The Flow Module Implementation section includes:
• Model Setup and Solution - Describes the Flow Module related inputs to the CFD-ACE-SOLVER
• Post Processing - Provides tips on what to look for in the solution output
The following geometric systems are supported by the Flow Module: 3D, 2D Planar, 2D Axisymmetric. All
grid cell types are supported (quad, tri, hex, tet, prism, poly).
The general grid generation concerns apply, i.e., ensure that the grid density is sufficient to resolve
solution gradients, minimize skewness in the grid system, and locate computational boundaries in areas
where boundary values are well known.
For pure flow problems, most gradients will be located near walls and free shear layers. Also, be aware of
streamwise flow gradients, which can be encountered in developing flows and compressible flows with
shocks. It is important to pack the grid in any location where solution gradients are expected (e.g. the
bend of a pipe).
Flow Module
Problem Type
Click the Problem Type [PT] tab to see the Problem Type Panel. See Control Panel-Problem Type for
details.
Select Flow to activate the Flow Module. The Flow Module is required for most simulations and can also
be coupled with virtually all other modules.
Model Options
Flow Module
Model Options - Shared Tab
Under the Shared Tab, a title can be given to the simulation, the gravity vector can be specified, and the
frame of reference in which to perform the calculations can be specified.
When gravity is selected, the vector along with the reference density must be specified. For more
information on how to set the reference density, please refer to the FAQ section of the Flow Module.
33
When Rotation Reference is chosen, two options are available: VC Based and Global (Absolute). The
VC Based option allows for multiple reference frames to be used, i.e. each volume in the model could
have it's own reference frame. The Global (Absolute) option perform all calculations in the rotating frame
of reference. For more information on setting the Rotation Reference, please refer to the Rotating
Systems chapter in the ACE+ User Manual.
Also, for 2D cases there is an option for running the case axi-symmetric (about the X-axis). The grid must
be in the positive y direction.
If you want to run a simulation using Chimera, simply activate the Chimera option then make the
appropriate Chimera settings in the VC and BC tabs. For more information on the Chimera Grid option,
please check the Chimera Grid Methodology chapter.
Flow Module
Model Options - Flow Tab
Reference Pressure
The Flow Module in CFD-ACE+ enables you to specify a reference pressure (P ref ). The value specified
for P ref will be added to any pressure inputs (i.e., boundary conditions and initial conditions). The
reference pressure is also subtracted from the pressure field for graphical output purposes. This feature
enables you to perform your simulation with either gage or absolute pressures.
2
The default reference pressure is 100000 N/m (~1 atmosphere). To work with absolute pressures set the
2
reference pressure to 0 N/m
.
Model Options in Flow Module Settings Mode
Hemolysis
For blood flow simulations, activate the Hemolysis model. The hemoglobin released by the flow induced
shear forces is a function of the magnitude of shear stress and the exposure time of red cells to the shear
field. In CFD-ACE+, an empirical model proposed by Giersiepen et. al has been used as the default
model. In this model, the hemoglobin released by red cells is expressed as
(1-23)
where:
2
= shear stress in N/m
t = exposure time in seconds
A = 3.62x10-5
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Modules
B = 2.416
C = 0.785
The model is valid even for exposure times below 7 ms. You also have the option of using other
empirical models by changing the constant and the exponents in equation 1-23 by way of CFD-ACE+.
Swirl
A swirl model provides a solution for tangential velocity (W) in 2D-axisymmetric geometries. This feature
can be used to yield 3D results from a 2D axisymmetric computational grid system, thus saving
computational resources.
Flow Module
Model Options - Advanced Tab
The Advanced tab allows for the specification of models which are useful for specific types of simulations.
Simple Flow Models
Selecting the Simple Flow Model checkbox allows activation of these models (see Simple Flow Models).
There are three options available:
1. High Order Wall Local - enables you to assign a unique simple model to each of the walls in the
simulation (see Boundary Conditions-Walls for more details).
2. One Cell Wall Global - applies the one cell wall reduced model to all walls in the simulation. The
one cell wall model should only be used for low Reynolds number flows and only on single cell
thick grid systems.
3. 2nd Order Wall Global - applies the second order wall simple model to all walls in the simulation.
Slip Walls
For low pressure flow simulations (on the order of 1 mTorr) the no-slip boundary condition for velocity and
temperature is no longer appropriate. For slip flow regime, the gas viscosity usually needs to be modified
based on Knudsen number as follows [6]:
(1-24)
where:
= gas viscosity
a and b = constants
Kn = Knudsen number
Flow Module
Volume Conditions
Click the Volume Conditions [VC] tab to see the Volume Conditions Panel. See Control Panel-Volume
Conditions for details. Before any volume condition information can be assigned, one or more volume
condition entities must be made active by picking valid entities from either the Viewer Window or the VC
Explorer.
General flow sources can be specified by changing the volume condition setting mode to Flow. Mass
sources and momentum sources can be added to the system. There are several types of sources that
can be applied: Fixed Source (Volumetric), Fixed Source (Total), Fixed Value, General Source
(Volumetric), General Source (Total), and through a user subroutine (USOURCE). See Source Term
Linearization for more details on setting general sources and see Momentum Resistance or Source and
Fan Model for details on other types of flow sources. For more information on the different types of
35
sources available, please refer to Direct Specification of Source Terms in the Numerical Methods chapter
in the ACE+ User Manual.
With the volume condition setting mode set to Properties select any volume conditions and ensure that
the volume condition type is set to Fluid. Only volume conditions that are of type Fluid need to have flow
properties specified (since there is no flow in solid or blocked regions there are no fluid properties for
those regions.)
There are two volume condition properties required by the Flow Module; density and viscosity. Both
density and viscosity can be evaluated using several methods. The methods used to evaluate these
properties and the required inputs are given below. To jump to a particular property evaluation method,
please select one from the list.
Density: Viscosity:
Constant Constant (Kinematic) Mix Polynomial in T
Ideal Gas Law Constant (Dynamic) Mix Polynomial in T (Liq)
Polynomial in T Sutherland's Law Power Law
Piecewise Linear in T Polynomial in T Carreau Law
Mix Piecewise Linear in T Piecewise Linear in T Power Law (Blood)
Mix Polynomial in T Mix Kinetic Theory Casson Model (Blood)
Cavitation Model Mix Sutherland's Law Walburn and Schneck (Blood)
User Subroutine (UDENS) Mix Piecewise Linear in T
Fluid Properties
Density
Constant
The constant options allows for the specification of the density. This option can be used when density
variations in the fluid are minimal. For liquids, the density can be specified as constant since they are
nearly incompressible.
Required Module (s): Flow
3
Required Input (s): Density in kg/m
Ideal Gas Law
When compressible effects are not negligible, the Ideal Gas Law should be used. The Ideal Gas Law is
given by:
where p ref is the reference pressure, p is the calculated static pressure, MW is the species or mixture
molecular weight, R is the universal gas constant, and T is the temperature.
Required Input (s): Molecular Weight in kg/kmol
Polynomial in T
This option will calculate the density as a function of temperature using a polynomial.
36
Modules

Required Input (s): Polynomial Coefficients
Piecewise Linear In T
This option is available when the Heat Transfer Module is activated. The temperature and the
corresponding density at that temperature must be input, which the CFD-ACE-SOLVER will take and use
to interpolate between values to set the density. The interpolation is done as follows:

Required Input (s): Data pairs of Temperature and Density
Mix Polynomial in T
The density of the mixture is evaluated as
where
is the density of the species i as a function of temperature.

Required Module (s): Flow, Chemistry
Required Input (s): Polynomial Coefficients for each
species used in the model. The values need to be entered
in the Database Manager under the Species Physical Tab.
Mix Piecewise Linear in T
The Mix Piecewise Linear in T option calculate the density of each species in the same manner as the
Piecewise Linear in T option. The mixture density is then calculated as:

Required Input (s): Data pairs of Temperature and Density
for each species used in the model. The values need to be
entered in the Database Manager under the Species
Physical Tab.
Cavitation Model
37
Using the Cavitation model, the density calculated is a mixture density, i.e. a mixture of vapor and liquid.
The mixture density (r) is a function of the vapor mass fraction (f), which is computed by solving a
transport equation simultaneously with the mass and momentum conservation equations. The mixture
density is calculated using the following relationship:
where ρ v is the vapor density and ρ l is the liquid density. Note that, if the Cavitation module is activated
all fluid volumes must use the Cavitation model for evaluation of the density. For more information on this
model, please refer to the Cavitation Module chapter.
Required Module (s): Flow, Cavitation
Required Input (s): Absolute Saturation Pressure, Liquid
Phase Density, Vapor Phase Density.
User Subroutine (UDENS)
This option is available for implementing a user defined evaluation for density if the option is not available
through CFD-ACE-GUI. The user subroutines required for setting the density are UDENS and
UDRHODP. UDRHODP is required to include compressibility of the fluid. For an incompressible fluid, set
DRHO_DP to a very small number (~ 1E-20). For more information on user defined volume condition
(property) routines, please refer to the volume condition routine section of the User Subroutines chapter.
Viscosity
Constant (Kinematic)
The kinematic viscosity is given as follows:
where µ is the dynamic viscosity and ρ is the density of the fluid.

2
Required Input (s): Kinematic Viscosity in m /s
Constant (Dynamic)
The dynamic viscosity is given as follows:
where ρ is the density of the fluid and ν is the kinematic viscosity.

Required Input (s): Dynamic Viscosity in kg/m-s
Sutherland's Law
Sutherland's Law is given as follows:
38
Modules
1/2
where A and B are constants. The default value of A is 1.4605E-06 kg/m-s-K and B is 112K. These
values are for air at moderate temperature and pressures.
Required Input (s): Coefficients A and B
Polynomial in T
The Polynomial in T option is given as follows:
where C 0 , C 1 , C 2 , C 3 , C 4 , and C 5 are coefficients.

Required Input (s): Coefficients C0, C1, C2, C3, C4, and C5
Piecewise Linear in T
The Piecewise Linear in T option will linearly interpolate between the specified viscosity and temperature
data.
Required Input (s): Number of data pairs, Temperature,
Dynamic Viscosity (kg/m-s)
[1]
Mix Kinetic Theory
The Mix Kinetic Theory option will use the kinetic theory of gases to calculate the viscosity of the gas or
mixture of gases. For a pure monatomic gas, the viscosity is defined as
where
µi = dynamic viscosity of species i

MWi = molecular weight of species i
T = temperature in Kelvin
characteristic diameter of the molecule in
σi =
Angstroms
= collision integral
The collision integral, , is given by
*
where T is the dimensionless temperature and is given by
39
where ε is the characteristic energy, κ is Boltzmann's constant, and T is the temperature. To calculate
the mixture viscosity using kinetic theory, the following equation is used:
where:
xi ,xj = mass fraction of species i and species j

µι = viscosity of species i
= dimensionless quantity
and is given by:

Required Input (s): Molecular Weight of each species,
Characteristic Energy, and Collision Diameter. These
quantities must be input in the Database Manager for each
species.
Mix Sutherland's Law
The Mix Sutherland's Law option is applicable when multiple species are present in a system. The
viscosity for each species is calculated using Sutherland's Law, which is shown above. The mixture
viscosity is then calculated using mix kinetic theory of gases.
Characteristic Energy, Collision Diameter, and the A and B
coefficients for Sutherland's Law. These quantities must
be input in the Database Manager for each species.
This method will use the temperature and viscosity data pairs to linearly interpolate the viscosity for each
species. Once all the species viscosities have been determined, the mixture viscosity is calculated using
mix kinetic theory.
Required Input (s): Temperature and Viscosity data pairs.
These quantities must be input in the Database Manager
for each species.
Mix Polynomial in T
40
Modules
This method will use a polynomial, just like in the Polynomial in T method above, to calculate the viscosity
of each species. Once all the species viscosities have been determined, the mixture viscosity is
calculated using mix kinetic theory.
Required Input (s): Coefficients C0, C1, C2, C3, C4, and C5 for
each species
Mix Polynomial in T (Liq)
This option will use a polynomial to calculate the viscosity of each species. Once all the species
viscosities have been determined, the mixture viscosity is then calculated using the following formula:
where
xi = mass fraction of species i and species j

viscosity of species i calculated using a
µι =
Polynomial in T
Required Module (s): Flow, Chemistry (Liquid)

Required Input (s): Coefficients C0, C1, C2, C3, C4, and C5 for
each species
[1]
Power Law
This option will use a non-newtonian Power Law model to calculate the viscosity of the fluid. The Power
Law model is :
where
µ0 = the zero shear rate viscosity

K, a1, a2,
= constants characterizing the fluid
a3, a4, B
n = the power law index
Τ = temperature
= the cutoff shear rate
= the local calculated shear rate
For a temperature dependent viscosity, a 1 or a 2 need to be non zero values. If a 1 , a 2 , a 3 , a 4 , µ 0, and

are set to zero, then the simplest for of the Power Law model is recovered, which is the two-parameter
power law given by
[7]
41
The power law index will determine the classification that the fluid falls in:
n = 1 (the fluid is Newtonian)
n > 1 (a shear thickening fluid (dilatant fluid))
n < 1 (a shear thinning fluid (pseudo-plastic))
Required Module (s): Flow, Chemistry (Liquid)

Required Input (s): Mu_0, N, D0, K, A1, A2, A3, A4
[1]
Carreau Law
This option will use the Carreau Law model to calculate the viscosity of the fluid. The Carreau Law model
is:
[8]
where
µ0 = the zero shear rate viscosity

= the infinite shear rate viscosity
n = the power law index
Τ = temperature
a = constant
= the local calculated shear rate
= the second invariant of the strain rate tensor
If a is two, then the Bird-Carreau model is recovered.

Required Module (s): Flow (Fluid Subtype is Liquid)
Required Input (s): Mu_0, Mu_inf, N, K, A
[3]
Power Law (Blood)
This model is available when solving for Flow and the subtype of the fluid is liquid. The model is:
where
and
42
Modules
γ = the local calculated shear rate

λ = the consistency constant
= 0.035 (default) {the limiting (Newtonian) viscosity}
∆µ = 0.25 (Default)
a = 50 (Default)
b = 3 (Default)
c = 50 (Default)
d = 4 (Default)
∆n = 0.45 (Default)
= 1.0 (Default)
This model expects all the inputs in CGS units, since parameters in literature are available in these units).
This model has been established for shear rates varying from 0.1 s-1 to 1000 s-1.
Required Input (s): Mu_inf, Delta Mu, Ninf, Delta N, A, B, C,
D
[2]
Casson Model
This model is available when solving for Flow and the fluid subtype is liquid. The model is:
where
and

τy = the yield stress in shear given by τy = (0.0625Hct)
3
the blood hematocrit and should be specified as a

Hct =
fraction between 0 and 1
η = a constant
η0 = the viscosity of the plasma
We define Muinf = and Ninf = .

The Casson model is normally used for low shear rates (< 10 s-1) and Hct < 40%. The input values for
this model should be in CGS units.
Required Input (s): Muinf, Ninf
[4]
Walburn and Schneck
43
This model is available when solving for Flow and the fluid subtype is liquid. The model is:
where

τy = the yield stress in shear given by τy = (0.0625Hct)
3
the blood hematocrit and should be specified as a

Hct =
percentage
a1 = 0.00797 (Default)
a2 = 0.0608 (Default)
a3 = 364.625 (Default)
a4 = 0.00499
The constant a 3 represents the effect of TPMA (Total Protein Minus Albumin) in the blood and
corresponds to a TPMA of 2.6g/100mL. The Walburn-Schneck model has been developed for a TPMA
range of 1.5-3.8 g/100mL. If necessary, the constant a 3 can be linearly scaled to model blood with a
TPMA different from 2.6g/100mL. The Walburn-Schneck model has been validated for a Hct range of 35-
50% (common physiological range) and a shear rate ranging from 30-240s-1.
Required Input (s): A1, A2, A3, A4, and Hematocrit
Flow Module
Boundary Conditions
Click the Boundary Conditions [BC] tab to see the Boundary Conditions Panel. See Control Panel-
Boundary Conditions for details. To assign boundary conditions and activate additional panel options,
select an entity from the viewer window or the BC Explorer.
The Flow Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface boundary conditions.
(See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions, or Arbitrary Interface Boundary
Conditions for details on these types of boundary conditions and instructions for how to implement them.)
All of the general boundary conditions for the Flow Module are located under the Flow tab and can be
reached when the boundary condition setting mode is set to General. Each boundary condition is
assigned a type (e.g., Inlet, Outlet, Wall, etc.). See Control Panel-Boundary Condition Type for details on
setting boundary condition types. This section describes the implementation of each type with respect to
the Flow Module. The Boundary Conditions section includes:
• Inlets
• Outlets
• Walls
• Rotating Walls
• Symmetry
• Interfaces
• Thin Walls
• Cyclic
• Periodic
44
Modules
Inlets
For any inlet boundary condition the Flow Module ultimately needs to know how to set the velocity,
density and temperature for each cell face on the boundary condition patch. There are various ways to
specify this information and there are four methods (known as subtypes) available in CFD-ACE+:
• Fixed Velocity
• Fixed Mass Flow Rate
• Fixed Total Pressure
• Fixed Pressure
Inlet Sub Type
Fixed Velocity
This inlet subtype allows you to set the velocity, pressure (used only to calculate inlet density), and
temperature for each boundary face on the inlet to a fixed value (this effectively fixes the mass flow rate).
The velocity vector is specified directly and the code calculates the density using the specified values of
pressure (P) and temperature (T) and the selected density method (specified in the volume condition
settings). For constant density flows, the pressure value is not used.
Fixed Mass Flow Rate
This inlet subtype allows you to specify the velocity direction, pressure (used only to calculate inlet
density), temperature, and the total mass flow rate to be applied over the entire boundary patch.
The velocity direction is specified directly and the code calculates the density using the specified values
of pressure (P) and temperature (T) and the selected density method (specified in the volume condition
settings). For constant density flows pressure is not used.
The velocity magnitude of each boundary face is determined by scaling the specified magnitude
(determined from the specified direction vector) to ensure that the desired mass flow rate is obtained. The
same scale factor is applied for all boundary faces on the inlet and is calculated as:
(1-25)
where:
= the specified total mass flow rate
= the vector direction (Nx, Ny, Nz)
The local velocity magnitude can then be determined by applying the same scale factor to all boundary
faces:
(1-26)
[1]
Fixed Total Pressure
45
This inlet subtype allows you to fix the total pressure (Po) and total temperature (To) at the boundary
patch. For ideal gases, the total temperature and pressure are computed using:
(1-27)
(1-28)
where M is the Mach number. For incompressible flows the total pressure is computed using:
(1-29)
Fixed Pressure
For fixed pressure inlets, the velocity is calculated at the cell center and then extrapolated to the
boundary face of the inlet. This velocity is used as the inlet velocity, since flow is assumed to be coming
into the domain.
Velocity Direction for Inlets
All of the inlet boundary condition subtypes allow for velocity directions to be specified in various ways.
There are several ways to specify the velocity directions at inlets:
• Cartesian
• Normal
• Cylindrical
• Swirler
The differences in these velocity direction specification modes is given below.
1. Cartesian - Allows you to specify the velocity magnitude in xyz components (U, V, W) for fixed
velocity inlets, or the velocity direction components (Nx, Ny, Nz) for fixed mass flow or fixed total
pressure inlets.
2. Normal - The code calculates the velocity direction based on the boundary face normal direction.
(The face normal always points into the computational domain).
3. Cylindrical - Allows you to specify the velocity direction in axial, radial, and tangential components
(Va, Vr, Vt). The axis of the cylindrical coordinate system is always the x-axis.
4. Swirler - Used to simulate swirling flow at an inlet for three-dimensional models. A swirler inlet is a
circular or annular inflow region with axial, radial, and tangential velocity components (Va, Vr, Vt).
The axis of the swirler is defined by a specified vector (X1, Y1, Z1) -› (X2, Y2, Z2). Any boundary
faces that lie within a specified radius from the axis (Ri < r < Ro) will have the swirler condition
applied.
The table summarizes the above information by listing the available inlet boundary condition subtypes
(with different velocity direction specification options). The table also shows the variables required for
each subtype.
46
Modules
Sub Type Required Variables
3D,2Ds
P, T, U, V, [W] ,
Fixed Velocity (Cartesian) 2Ds
[Omega]
Fixed Velocity (Normal) P, T, Vn
3D,2Ds
Fixed Velocity (Cylindrical) P, T, Va, Vr, [Vt]
3D P, T, Va, Vr, Vt, Ri, Ro,

Fixed Velocity (Swirler)
X1, Y1, Z1, X2, Y2, Z2
3D,2Ds
Fixed Mass Flow Rate P, T, Nx, Ny, [Nz] ,
2Ds
(Cartesian) [Omega] , Mdot
Fixed Mass Flow Rate

P, T, Mdot
(Normal)
3D,2Ds
Fixed Mass Flow Rate P, T, Va, Vr, [Vt] ,
(Cylindrical) Mdot
Fixed Mass Flow Rate P, T, Va, Vr, Vt, Ri, Ro,

3D
(Swirler) X1, Y1, Z1, X2, Y2, Z2
Fixed Total Pressure (No

Po, To
Direction)
Fixed Total Pressure

Po, To
(Normal)
Fixed Total Pressure 3D,2Ds

Po, To, Nx, Ny, [Nz]
(Cartesian)
Fixed Total Pressure 3D,2Ds

Po, To, Va, Vr, [Vt]
(Cylindrical)
Fixed Pressure P, T
3D
Available for 3D simulations.
2Ds
Available for axisymmetric 2D swirl simulations.
Outlets
For any outlet boundary condition the Flow Module needs to know how to set either the static pressure or
the mass flow rate for each cell face on the boundary condition patch. There are various ways to specify
this information and for outlet boundary conditions there are four methods (know as subtypes) available:
47
• Fixed Pressure
• Farfield
• Fixed Velocity
• Extrapolated
Note that inflow through an outlet can occur anytime during the solution convergence process (even if the
final solution indicates all outflow) so it is recommended that you supply a reasonable temperature value.
If the final solution shows inflow through an outlet boundary condition, then this indicates that the
boundary condition may not have been located in an appropriate place. When this happens an unphysical
solution as well as convergence problems may be the result and we recommend that you relocate the
outlet boundary condition to an area where there is total outflow if possible.
Also note that for Farfield boundaries, used as intended, inflow through the outlet is perfectly fine.
However, for outlet boundaries where only outflow is expected, inflow becomes problematic which
indicates that the outlet boundary may not have been located in the appropriate place..
Fixed Pressure
This outlet subtype allows you to specify the static pressure at the outlet location. All other variables (U,
V, W, T) will be calculated by the code if the flow at the outlet boundary condition is out of the
computational domain.
If the flow happens to be coming into the computational domain at the outlet then the solver treats the
boundary condition as an inlet. Hence, you may optionally specify a temperature (T) to be used only in
the case that there is inflow through the outlet boundary condition.
Farfield
This outlet subtype can be used if there is a possibility that there is inflow and outflow along the same
boundary patch, as might be found at a Farfield boundary of an external flow problem (i.e. a free-stream
condition). This subtype is the same as the fixed pressure subtype except that it allows you to specify a
velocity, which will be used to calculated the convective momentum flux across the boundary
(mdot*backflow_velocity). As such, it has only a small effect on the flow rate, mdot, across the boundary.
This velocity will not be used as in the inflow velocity if inflow does occur through an outlet.
Fixed Velocity
This outlet subtype is actually the same as the fixed velocity (Cartesian) inlet subtype, the only difference
being that the velocity vector is usually set to be pointing out of the computational domain.
This subtype has been provided as a convenience to specify the mass flow rate at an outlet boundary
condition. It is recommended to use this boundary condition only if the mass flow rate at the outlet
boundary is known and a fixed total pressure subtype is being used at the inlets. Note that this approach
can sometimes produce convergence problems. These problems can sometimes be overcome by running
the simulation as transient to a steady state solution.
Extrapolated
This outlet subtype will extrapolate all boundary information from the cell center to the boundary face if
the Mach number at the cell center is greater than 1.0. If the Mach number is less than 1.0 then the
boundary condition reverts to a fixed pressure subtype and sets the boundary static pressure (P) to that
specified. All other comments about the fixed pressure outlet apply to this subtype if the Mach number is
less than 1.0.
The Extrapolated subtype should only be used when the flow at the outlet is expected to be supersonic.
48
Modules
The table below summarizes the above information by listing the available outlet boundary condition
subtypes. The table also shows the required variables and optional variables for each subtype.
Outlet Boundary Condition Subtypes and Variables
Available Optional
Required Variables
Subtypes Variables
Fixed Pressure P T
3D,2Ds 2Ds
Farfield P, T, U, V, [W] , [Omega]
3D,2Ds 2Ds
Fixed Velocity P, T, U, V, [W] , [Omega]
Extrapolated P, T
3D
Available for 3D simulations.
2Ds
Available for axisymmetric 2D swirl simulations.
Walls
Wall boundary conditions allow the specification of wall velocities. The required flow variables are U, V, W
or Omega (W being present only for 3D and 2D swirl simulations and Omega present only in 2D swirl
simulations). The Wall boundary condition for the flow module has three subtypes:
• No-Slip
The No-Slip Wall BC subtype is the default setting fro all flow cases except when Slip Walls Model
is activated (under the MO tab). The imposed boundary conditions are:
where is the velocity vector of the fluid in contact with the wall, and is the velocity vector of
the wall.
For stationary walls, U = V = W = 0.
For moving walls, the velocity values should be specified.
• Inviscid
The Inviscid wall BC subtype is available for all flow cases except when Slip Walls Model is
activated (under the MO tab). The imposed boundary conditions are:
49
where is the normal component of the velocity vector of the flid in contact with the wall, and
is the normal velocity vector of the wall. This BC places no limitation on the tangential
components of the velocity vector of the fluid. This is very similar to a symmetry BC except that
normal wall velocities (with grid deformation) and boundary conditions for other modules (such as
heat, electric, etc.) can now be applied on this wall. The inviscid behavior is applied only for the
flow module.
• Slip Model
The Slip Model subtype is only available when the Slip Walls Model is activated (under the MO
tab). If the Slip Walls Model is activated, this BC subtype is applied to all Walls and Solid-Flid
Interfaces by default. However, the user may change this default assignment as explained in
Theory-Slip Walls.
For the most part, Solid Fluid Interfaces are also treated as Walls, as explained above.
If the High Order Wall Local simple flow model has been activated (see Model Options-Simple Flow
Models) then the user will have the opportunity to select which reduced flow model to apply to the
selected wall. The choices are No Wall Model, One-Cell Wall, and Second-Order Wall.
Rotating Walls
A rotating wall boundary condition can be used to set a rotational velocity profile on a wall. Rotating Walls
have the same three subtypes (No-Slip, Inviscid, and Slip Model) as regular Walls. The required variables
for the Flow Module are Cx, Cy, Cz (the x, y, z location of any point on the axis of rotation), and Wx, Wy,
Wz (a vector that defines the rotation direction and the magnitude).
If the High Order Wall Local simple flow model has been activated (see Model Options-Simple Flow
Models) then the user will have the opportunity to select which reduced flow model to apply to the
selected wall. The choices are No Wall Model, One-Cell Wall, and Second-Order Wall.
Symmetry
The symmetry boundary condition is a zero-gradient condition. Flow is not allowed to cross the symmetry
boundary condition. There are no Flow Module related values for symmetry boundary conditions.
Interfaces
The interface boundary condition is used to allow two computational regions to communicate information.
There are no Flow Module related values for interface boundary conditions.
Interface boundary conditions can be converted to Thin Walls (see Thin-Wall Boundary Conditions). Also
see Arbitrary Interface Boundary Conditions for information on other ways for computational domains to
communicate.
Thin Walls
The Flow Module fully supports the Thin Wall boundary condition. See Thin-Wall Boundary Conditions for
instructions on how to setup a Thin Wall boundary condition.
The Flow Module treats a thin wall boundary condition the same as a wall boundary condition (see Walls).
Therefore, under the Flow tab, inputs are available for wall velocity specification. This wall velocity will be
applied to both sides of the Thin Wall boundary condition.
50
Modules
Cyclic BC
The Flow Module fully supports the Cyclic boundary condition. See Cyclic Boundary Conditions for
instructions on how to setup a Cyclic boundary condition. There are no Flow Module related settings for
the Cyclic boundary condition.
Periodic BC
The Flow module fully supports periodic boundary conditions. When periodic boundaries are used, either
the pressure drop or mass flow rate must be specified.
Flow Module
Initial Conditions
Click the Initial Conditions [IC] tab to see the Initial Conditions Panel. See Control Panel-Initial Conditions
for details.
The Initial Conditions can either be specified as constant values or read from a previously run solution
file. If constant values are specified then you must provide initial values required by the Flow Module. The
values can be found under the Flow tab and the following variables must be set; P, T, U, V, and W or
Omega (W being present only in 3D and 2D swirl simulations, and Omega present only in 2D swirl
simulations.)
If the Heat Transfer Module has been activated, then the Initial Condition for temperature will be located
under the Heat tab.
Although the Initial Condition values do not affect the final solution, reasonable values should be specified
so that the solution does not have convergence problems at start-up.
For problems with fixed pressure outlet conditions, it is often best to set the initial pressure to the outlet
pressure and the initial velocities to some reasonable value. For problems with total pressure inlet
conditions, it is often best to set the initial pressure equal to the inlet pressure and the initial velocities to
zero.
Flow Module
Solver Control Settings
Spatial Differencing Tab
Under the Spatial Differencing tab, you may select the differencing method to be used for the convective
terms in the equations. Activating the Flow Module enables you to set parameters for velocity and density
calculations. The default method is first order Upwind. See Spatial Differencing Scheme for more
information on the different differencing schemes available and Discretization for numerical details of the
differencing schemes.
Solver Selection
Under the Solvers tab you may select the linear equation solver to be used for each set of equations.
Activation of the Flow Module allows settings for the velocity and pressure correction equations. The
default linear equation solver is the conjugate gradient squared + preconditioning (CGS+Pre) solver with
50 sweeps for the velocity equations and 500 sweeps for the pressure correction equation. The default
convergence criteria is 0.0001. See Solver Selection for more information on the different linear equation
solvers available. See Linear Equation Solvers for numerical details of the linear equation solvers.
Relaxation Parameters
51
Under the Relaxation tab you may select the amount of under-relaxation to be applied for each of the
dependent (solved) and auxiliary variables used for the flow equations. Activating the Flow Module
enables you to set the velocity and pressure correction dependent variables, as well as the auxiliary
variables; pressure, density, and viscosity. See Under Relaxation Parameters for more information on the
mechanics of setting the under relaxation values and Under Relaxation for numerical details of how
under-relaxation is applied.
The velocity and pressure correction equations use an inertial under relaxation scheme and the default
values are 0.2. Increasing this value applies more under-relaxation and therefore adds stability to the
solution at the cost of slower convergence.
The calculations for pressure, density, and viscosity use a linear under-relaxation scheme and the default
values are 1.0. Decreasing this value applies more under-relaxation and therefore adds stability to the
The default values for all of the under relaxation settings will often be sufficient. In some cases, these
settings will have to be changed, usually by increasing the amount of under relaxation that is applied.
There are no general rules for these settings and only past experience can be a guide.
Variable Limits
Settings for minimum and maximum allowed variable values can be found under the Limits tab. CFD-
ACE+ will ensure that the value of any given variable will always remain within these limits by clamping
the value. Activating the Flow Module enables you to set limits for the following variables; U, V, W (for 3D
or 2D swirl cases), Pressure, Density, and Viscosity. See Variable Limits for more information on how
limits are applied.
Advanced Settings
Flow
There are two settings on the Advanced options tab under the Flow heading: Cut Diffusion (Flow) and
CFL Relaxation.
The Cut Diffusion option allows you to disable the diffusive link to an inlet boundary. For low pressure
transport problems this may be important because it allows you to prevent the diffusive loss of species
through an inlet and gives you better control over the amount of each species in the domain since you
only have to account for inlet convection.
When using CFL based relaxation, an effective time step is calculated for each computational cell (local
time stepping). The size of the cell’s effective time step is calculated by determining the minimum time
scale required for convection, diffusion, or chemistry to occur in that cell. This minimum time scale is then
multiplied by a user input factor to determine the final effective time step which will be used for that cell.
The default inertial relaxation method can be switched to the CFL based relaxation method by going to
SC-->Adv and checking the appropriate check boxes for each module. The relaxation factor defined in
SC-->Relax is used as the CFL multiplier.
Rule of Thumb: Inverse value of the usual inertial relaxation factor.
Effect of Value:
• 5 = Default Value
• 1 = More stability, Slower convergence
• 100 = Less stability, Faster convergence
The CFL based relaxation method is not available for all modules.
52
Modules
Flow Module
Output Options
The output desired from the Flow Module can be specified under the Out (Output) tab in the ACE+ GUI.
In terms of type and usage, the data that can be output from the Flow Module falls into five different
categories: (i) restart data; (ii) graphical solution data; (iii) summary data; (iv) monitor point/plane data;
and (v) user-specified data. Restart data and graphical solution data are usually output in non-readable
formats to the DTF file or to other binary-data files. Summary and monitor-point/plane data are usually
output in ASCII format to regular text files, possibly including the modelname.out file. User-specified data
is defined and controlled via the user-subroutine facility, and can be output either to the DTF file or other
binary-data files, or to regular text files.
Output Control
For a steady state simulation, the user can choose from one of two options to determine when the
solution data from the simulation (in graphical form) will be written to the DTF file. With the “End of
Simulation” option, the solution data will be written to the DTF file only once, and this is when the
maximum number of iterations has been reached or when the specified convergence criteria have been
attained. With the “Specified Interval” option, the solution data can be written at specified intervals during
the solution process, and the user has the option of creating a unique file for every output cycle, or of re-
saving the solution data to the same DTF file, modelname.DTF. With the latter option, each new solution
over-writes any previously saved solutions. If the user chooses to have the solution data written to unique
files, these unique files will be named as in the following example: modelname_steady.000025.DTF,
where the number 25 in this example refers to the iteration number after which the solution has been
written to that file.
For transient simulations, the user can have results written out with a specified time-step interval (that is,
at the end of a fixed number of time-steps) or a specified integration-time interval (that is, at the end of a
fixed integration time period). With both choices, the results will be written to different DTF files numbered
in accordance with the time-step number.
Summary Output
Under the Summaries Section of the Out tab, the user can activate the output of the Mass Balance
Summary data or the Force and Moment Summary data by clicking the corresponding check boxes. For
the Mass Balance summaries, the data is output to a file named modelname.MASSUM. For Force and
Moment summaries, the data is output to a file named modelname.FMSUM.
The Mass Balance summary is given in the form of a tabulated list of the integrated mass flow rate (in
kg/s, kg/s/m, or kg/s/rad, as appropriate for the geometry of the simulation) through each flow boundary,
that is, through each boundary of the type “inlet”, “outlet”, or “interface”. For output of data through
boundaries of the type “interface”, however, the user must make an additional election in the ACE+ GUI
to specifically request output through interfaces. If activated, the Mass Balance Summary will include data
for boundaries of the type “wall” or “solid-fluid” interface if there is a chemical reaction that produces or
destroys mass or any other source or sink of mass at these boundaries. The data for each boundary that
is included in the Mass Balance summary is given on a separate line, with the Name, the Surface ID, and
the Boundary-Condition Type of the boundary given in three separate columns, and with the Inflow,
Outflow, and Sum of the mass flow rate across that boundary given in another three separate columns.
The Mass Balance Summary data is also given for each grouping of boundary conditions that the user
has created or defined in the ACE+ GUI, as further detailed in the User Manual. As also explained in the
User Manual, for a group to be included in the Mass Balance Summary data, the group must be defined
or created within the Mass Balance Summary grouping category. The data for each group included in the
Mass balance Summary is given on a separate line, with the Name of the group given in the first column,
and with the Inflow, Outflow, and Sum of the mass flow rate across all the members of that group given in
another three separate columns.
53
The Force and Moment Summary is given in the form of a tabulated list of the pressure and viscous
forces (in Newtons) integrated over each solid boundary, that is, over each boundary of the type “wall”,
and “fluid-solid interface”, and the moment (in N-m) integrated over the same boundary. The moment is
given in terms of its three components about the x, y and z axes, respectively. For each boundary
included in the force and moment summary, the pressure forces are calculated in accordance with the
following equations:
where A is the face area, FC is the face normal x-component, y-component, or z-component, and P is the
pressure. The shear forces are calculated in accordance with the following equations:
where is the laminar vescosity, A is the face area, is the relative velocity at the boundary in the x-
direction, y-direction, or z-direction, and is the distance from the cell center to the face center.
For each boundary included in the force and moment summary, the pressure moments are calculated in
accordance with the following equations:
where FC is the face center location for a given x, y,or z component and P is the pressure force for a
given x, y, or z component. The viscous moments are calculated in accordance with the following
equations:
where FC is the face center location for a given x, y,or z component and Fsh_i is the shear force for a
given x, y, or z component.
Boundary Integral Output
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Modules
For more information on the Boundary Integral Output option, please refer to Appendix A: CFD-ACE+
Files in the ACE+ User Manual.
Diagnostics Output
The Diagnostics data output is intended to provide the user with additional information about the
execution and status of the solver, and any problems encountered during a run. This additional
information can be useful for a user interested in the execution details or statuses at various points in the
solver, and also for trouble-shooting a simulation. All diagnostic data output is directed to the
modelname.out file.
Graphical Output
Under the Graphics tab, you can select which variables to output to the graphics file (modelname.DTF).
These variables will then be available for viewing and analyzing in CFD-VIEW. Activating the Flow
Module enables output of the variables listed in the table:
Post Processing Variables
Variable Description Units
U, V, W Velocity Vector m/s

U_absolute,
V_absolute, Absolute Velocity Vector m/s
W_absolute
VelocityMagnitude Velocity Magnitude m/s
2
P Static Pressure N/m
2
P_tot Total Pressure N/m
Vislam Laminar Viscosity kg/m/s
Vorticity Vorticity -
STRAIN_RATE Strain Rate 1/s
2
RESIDUAL_U X-Direction Velocity Residual kg-m/s
2
RESIDUAL_V Y-Direction Velocity Residual kg-m/s
2
RESIDUAL_W Z-Direction Velocity Residual kg-m/s
RESIDUAL_P Pressure Residual kg/s
Flow Module Post Processing

CFD-VIEW can post-process the solutions. When the Flow Module is invoked, the velocity and pressure
fields are usually of interest. A complete list of post processing variables available as a result of using the
Flow Module is shown in the table. Use CFD-VIEW’s vector plot and stream trace features to view the
velocity field. The pressure field can be viewed with surface contours and analyzed through using point
and line probes.
55
U, V, W Velocity Vector m/s

U_absolute,
V_absolute, Absolute Velocity Vector m/s
W_absolute
VelocityMagnitude Velocity Magnitude m/s
2
P Static Pressure N/m
2
P_tot Total Pressure N/m
Vislam Laminar Viscosity kg/m/s
Vorticity Vorticity -
STRAIN_RATE Strain Rate 1/s
2
RESIDUAL_U X-Direction Velocity Residual kg-m/s
2
RESIDUAL_V Y-Direction Velocity Residual kg-m/s
2
RESIDUAL_W Z-Direction Velocity Residual kg-m/s
RESIDUAL_P Pressure Residual kg/s
Vorticity is calculated as follows:
The Strain Rate components are shown below. The Strain Rate reported in CFD-ACE+ is the magnitude
of all the components.
Flow Module Frequently Asked Questions

Why do I have to specify the pressure at a fixed velocity or fixed mass flow inlet boundary
condition?
The Flow Module ultimately needs to set the value of density at the inlet boundary condition. The
pressure specified for a fixed velocity or fixed mass flow inlet will only be used to calculate the density at
that inlet. Since the inlet pressure is only used to calculate the inlet density, it is not required when the
fluid density is constant. Note that the solution results will show the calculated inlet pressure, not the
specified inlet pressure. See Fixed Velocity or Fixed Mass Flow Rate for more information.
Why is the velocity zero in CFD-VIEW when I use the one-cell model?
For the One Cell Model, the velocity in CFD-VIEW will appear to be zero. This is due to the fact that all
the nodes lie on a wall boundary, and the velocity at the wall is zero for no-slip conditions.
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Modules
What is the reference density? What value should I enter?

Buoyancy-driven flows are those in which density variations cause the fluid motion. Examples include
low-pressure mixing of gases and natural convection heat transfer. In CFD-ACE+, you must activate
Gravity on the MO/Shared tab if you want to capture buoyancy effects. Gravity is Off by default because
hydrostatic pressure variations do not contribute to fluid motion in steady flows, and because the effect of
hydrostatic pressure variation on fluid density is usually small (non-existent for incompressible fluids).
Once you’ve activated it, an additional input option appears, asking you to choose how the "Reference
Density” is to be calculated. The reference density is explained below and what you need to know to
select the write option for your case.
The acceleration due to gravity of a fluid in any given control volume is -ρg. In CFD-ACE+, ρ = ρ 0 + ρ',
where ρ 0 is the reference density, and the gravitational body force is implemented as -ρ'g. Omitting the
ρ 0 g term in the momentum equation produces a pressure field p*, as follows:
In other words, the hydrostatic pressure variation is omitted. This formulation is useful because it
simplifies the specification of pressure boundary conditions.
Consider buoyant flow along a heated wall, as shown below in the figure below. The pressure along the
open boundary should vary linearly with height, but in order to specify this variation we would have to use
a profile boundary condition or a user subroutine. By omitting the ρ 0 g term, we are able to specify a
constant pressure on all 3 open boundaries and set up this type of problem with ease.
The only drawback to this formulation is that you can no longer see hydrostatic pressure variations in
CFD-VIEW, only those pressure differences due to the velocity field.
There are two ways to specify the reference density, 'Automatic’ and 'User-Specify’. The Automatic
option behaves one of two ways, depending on whether the system is open or closed. For open systems
such as the example above, reference density is calculated from the initial solution as the average density
over all inlet/outlet boundaries. For closed systems, such as a box heated on one side only, ρ 0 is the
average density over the entire domain.
The Automatic reference density option is not appropriate for every problem involving gravity, only for
buoyant flows where the driving forces for fluid motion are density differences. For unstable transient
cases where the weight of the fluid causes fluid motion, the 'User Specify’ option should be chosen and
the reference density set to zero. In addition, the initial pressure field must include the hydrostatic
57
pressure variation, i.e. must be physically realizable. Most likely you would need a UINIT user subroutine
for such cases.
In general, there is no harm in using the Automatic reference density option. However, if there is any
doubt, choose the 'User-Specify’ option and set the reference density to zero, while paying special
attention to any pressure boundary conditions, i.e. don’t forget to include hydrostatic variations. Also, be
aware that an initial guess of p = 0 everywhere may be very harsh for steady-state cases and can cause
convergence problems. Increased velocity relaxation and/or a better initialization of the pressure field can
get around such problems.
What settings should I use for natural convection problems with ambient boundaries?
For natural convection problems, it is imperative that the boundary conditions are specified properly.
Often, the mistake is in the specification of pressure on an ambient "free" (or outlet) boundary. The
common practice is to use a reference pressure that is equal to the ambient pressure and to set the
pressure at the free boundaries to zero. This is a correct specification only if the ambient boundaries all
have exactly the same elevation. If there is an difference in elevation between the free boundaries then
there is a pressure difference between the boundaries which we usually taken to be equal to ρgh, where
h is the difference in elevation.
Incorrect Boundary Conditions
This problem can be seen clearly by simulating a "null" problem - that is, one where the we know the
trivial solution to have no temperature difference and no motion. Such a problem is illustrated in Figure 1,
where the flow along a vertical flat plate is modeled, but the plate temperature is set to be equal to the
ambient temperature.
Figure 1. Test problem conditions

If this problem is modeled using the ideal gas law for the fluid density and assign zero pressure to all the
free boundaries, the result is clearly incorrect and is shown in Figure 2. Although the temperature field is
58
Modules
not shown, it was checked and verified to be a constant of 292K. The resultant velocity field shown in
Figure 2 has a maximum down ward velocity of almost 3m/s. This error occurs because the external
pressure gradient was neglected when the pressure was specified at the "free" boundaries.
Figure 2. Solution using ideal gas law and zero pressure at boundaries
Correct Boundary Conditions
There are at least three ways to correct the problem definition so that we actually describe the problem
we want to solve and obtain the correct solution. They are the follow:
1. Change nothing except the specification of the boundary pressures. This requires a pressure
specification that varies with y for the vertical boundary.
2. Assign a reference density to be used in the calculation of the buoyancy source term.
3. Use the Boussinesq approximation.
Boussinesq Approximation
With the Boussinesq approximation, a constant fluid density is used, which is evaluated at the specified
reference temperature) and the buoyancy source is calculated as:
S = α∗(T - T ref )*ρ∗g*Vol
If T ref is set equal to the ambient temperature and α equal to 1/T ref , then there will be no externally
imposed pressure gradient because there will be no source for cell where T = T ref . What we are doing
with this option is subtracting off the hydrostatic pressure variation which does not contribute to fluid
motion. If this option is used, the solution will be like Figure 3. We see a downward velocity field
predicted, but the velocity magnitude is effectively zero. This would be an acceptable solution to this
problem.
59
Figure 3. Solution with Boussinesq approximation

Use of Reference Density
A second, alternative problem specification is to retain the ideal gas law density option, but use a
reference density. This changes the source term calculation to:
S = (ρ - ρ ref )g*Vol
If the reference density is evaluated at ambient temperature and pressure, then the zero pressure
boundary condition is correct for this problem as well because there will be no source term for cells (or
boundaries) at the reference conditions. Figure 4 shows the results for these conditions. Again, there is
a downward velocity field with a small velocity magnitude. For this problem, the reference density was set
equal to 1.21037999941. Using only six digits of precision gave velocity magnitudes of the order of
0.01m/s.
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Modules
Figure 4. Solution using reference density

Proper Specification of Boundary Pressures
The final option is to retain all settings as in our original problem definition, but correctly specify the
boundary pressures. Initially, a pressure of zero at the upper boundary, a pressure of ρgh at the lower
boundary and an exponentially varying pressure along the vertical boundary. The pressure along the
vertical boundary is exponential since the density varies with pressure rather than being constant.
What relaxation settings should I use? What is the difference between an Interial and Linear
relaxation factor?
Under relaxation is a constraint on the change of a dependent or auxiliary variable from one solution
iteration to the next. It is required to maintain the stability of the coupled, non-linear system of equations.
The relax tab in the solver control panel (see Figure 1) allows the user to set under-relaxation factors for
each of the solved variables and the auxiliary variables.
61
Figure 1. Solver Control - Under Relaxation

The panel contains four columns: the first defines the variable, the second contains a slider bar which can
be used to adjust the value, the third contains up/down buttons to adjust the order of magnitude of the
value, and the fourth is a field for the under relaxation value itself.
We have different methods for applying under relaxation for the solved and auxiliary variables that are
listed below:
Inertial Relaxation (I):
Inertial under relaxation (I) is applied to variables, which are directly solved for (dependent
variables as determined by active modules) during the iterative procedure, for example, velocities,
pressure correction, enthalpy, etc.
• I usually varies from 0.0 to 2.0 with default value of 0.2.
• Increasing the value of I adds constraint. It means increasing I increases stability.
• Increasing the value of I slows convergence. It means an increase in I will take more time to
get the same order of convergence.
• Values of I greater than 1.5 are allowed but not recommended.
Linear Relaxation (L):
Linear under relaxation (L) is applied to all variables that are computed during the solution
procedure. These variables are called auxiliary variables, which are computed from the solved
(dependent) variables, for example, density, pressure, temperature etc.
• L usually varies from 0.0 to 1.0 with default value of 1.0.
• Decreasing the value of L adds constraint. It means decreasing L increases stability.
• Decreasing the value of L slows convergence. It means a decrease in L will take more time to
get same order of convergence.
It all can be summarized in Figure-2 and Figure-3 below.
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Modules
Figure 2. Under Relaxation for Faster Convergence
Figure-3. Under Relaxation for More Stability

Note: Please note that relaxation values can help in getting faster convergence or it may help prevent
divergence. For a given problem (identical BC/VC/IC), change in relaxation values may take more or less
number of iterations to reach convergence. But as long as problem is fully converged, you will get the
same result irrespective of relaxation values.
Tips on troubleshooting your problems:
The following tips are just guidelines that can help in getting a converged solution or faster convergence.
The values on relaxation can be problem specific, so there are no hard and fast rules as to which value
one should use.
1. Problem Diverges:
If you see that your problem is diverging, you can try the following:
• Make sure that you have applied correct scaling and all input values (BC/VC) are correct or at
least in reasonable range.
• Check the residual and see what variable diverges or starts diverging first.
• Decrease the linear under relaxation (from 1.0 to say 0.7) for that variable.
• In order to make it more stable, you can also increase inertial under relaxation for the
corresponding solved (dependent) variable.
• For compressible flows, decreasing linear under relaxation for density helps.
63
• For problem involving heat transfer, if you see enthalpy is diverging, decreasing the linear
relaxation of temperature from default value of 1.0 to smaller value like 0.7 can help in getting
converged solution.
• For Fluid Structure Interaction problems, decreasing the linear relaxation on pressure helps to
moderate the pressure fluctuations seen by the stress solver, reducing the displacement
fluctuations and aiding in convergence.
• If it is a Fluid Structure Interaction problem and you encounter negative volumes, first try to
decrease the linear relaxation for pressure to a value of 0.3 or 0.2. If the problems still exists,
then you can try to decrease the linear relaxation for Grid Deformation anywhere from 0.5 to
0.1. This basically restricts the grid deformation in the solid volumes to 50% (if a value of 0.5
is used) of the actual value due to sustained pressures every time you solve for stress during
the time step. Upon convergence, you still get the correct grid deformation.
• For complex physics, when small changes in relaxation do not work, change the inertial
relaxation values to 0.5. Also, reduce the linear factors to 0.3 and rerun. If this does not work,
change the inertial factors to 0.9 and the linear ones to 0.1. These factors can be changed up
to 1.5 for inertial and 0.01 for linear. Anything higher may result in a solution that has been
frozen to the initial field.
Another item that may help is a change to the AMG solver for pressure correction or enthalpy. If
convergence problems still persist, look at the residual information especially noting the location of the
maximum residual. Next examine the grid closely at this spot in CFD-VIEW and look for skewness.
Sometimes problem areas can be isolated by plotting the results every few iterations. The problem area
is generally the location where the flow field first becomes unstable.
2. Slower Convergence:
If you see that convergence is very slow, you can try following:
• Check the residuals and see what variable has slow convergence (might also remain flat)
• Decrease the inertial under relaxation (from 0.2 to say 0.02) for that variable.
• For conjugate heat transfer problems, decreasing the inertial relaxation of enthalpy from
default value of 0.05 to smaller number like 1E-05 can help in faster convergence.
• When solving for the electric module, decreasing the inertial relaxation of electric potential
from 0.0001 to smaller number like 1E-07 can help in faster convergence.
How is the stream function calculated?
The stream function technique is useful for solving two dimensional flow problems. As an example, take
two dimensional, incompressible flow in the x-y plane. For this situation, the stream function can be
derived as follows:
This equation can be satisfied by introducing a stream function Ψ(x,y)such that:
therefore
Integrating this equation will yield the stream function. Lines of constant Ψ are streamlines of the flow,
where dψ = 0.
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Modules
In the case of steady simulation for a closed system which has no inlet/outlet, the
pressure/density does not follow the surrounding wall temperature change, and the mass in the
system is not conserved. How is this dealt with?
Basically, we make a correction to pressure to ensure continuity, not the density. For this case, there is
no correction to pressure (grad(rho*V) = 0).
Details for a closed system in steady state with isothermal walls.
For a closed system in steady state with isothermal walls, if the temperature is doubled then one would
expect the pressure to double. However, the density is reduced by a factor of two, which represents a
mass loss. This is due to the fact that grad(rho*V) = 0, and thus the pressure does not change.
Flow Module Examples
The following tutorials use the Flow Module exclusively:
• Laminar Flow Past a Backward Facing Step
• Supersonic Flow over a Bump or Ramp
The following tutorials use the Flow Module in conjunction with one or more other modules:
• Turbulent Flow Past a Backward Facing Step
• Natural Convection between Concentric Thick-walled Cylinders
• Oil Flow through a Compliant Orifice
• Turbulent Mixing of Propane and Air (with and without reactions)
• Transonic Flow Over NACA 0012 Airfoil
• Multi-step Reaction in a Gas Turbine Combustor
• Surface Reaction in a 2-D Reactor
• Generic Semiconductor Reactor
Flow Module References
nd
1. Bird, R. Byron, Warren E. Stewart, and Edwin N. Lightfoot. Transport Phenomena. 2 ed.
New York: John Wiley & Sons, Inc, 2002. pp. 23-27, 84, 240-243, 848, 866.
nd
2. Fung, Y.C., Biomechanics: mechanical properties of living tissues. 2 ed., Springer, 1993.
3. P.D. Ballyk, D.A. Steinman and C.R. Ethier. Simulation of Non-Newtonian Blood Flow in an
End-to-Side Anastomosis, Biorheology, Vol. 31: pp. 565-586, 1994.
4. Walburn, F.J. and D.J. Schneck, A Constitutive Equation for Whole Human Blood
Biorheology, Vol. 13, pp. 201-210, 1976.
5. Giersiepen M., Wurzinger, L.J., Opitz, R., and Reul, H., "Estimation of Shear Stress-Related
Blood Damage in Heart Valve Prostheses - in vitro Comparison of 24 Aortic Valves.” The
International Journal of Artificial Organs 13.5(1990): 300-306.
6. Veijola, T., Kuisma, H., and Lahdenpera, J., "Equivalent Circuit Model of the Squeeze Gas
Film in a Silicon Accelerometer.” Sensors and Actuators A 48(1995): 239-248.
7. W. Ostwald, Kolloid-Zeitschrift, 26, 99,-117 (1925); A. de Waele, Oil Color Chem. Assoc. J.,
6, 33-38 (1923).
8. P. J. Carreau, Ph.D thesis, University of Wisconsin, Madison (1968).
Heat Transfer Module
Heat Transfer Module Introduction to the Heat Module
65
The Heat Transfer Module performs heat transfer analysis and is an integral part of the CFD-ACE-
SOLVER. Use the Heat Transfer Module for all situations where heat transfer processes may have a
significant impact on the final solution. Activating the Heat Transfer Module implies the solution of the
total enthalpy form of the energy equation.
Many types of heat transfer analysis can be performed with the Heat Transfer Module, from basic
conduction/convection to complex radiation modeling (with the use of the companion Radiation Module
discussed in Radiation Module). Heat transfer analysis can be performed in stand-alone mode (pure heat
transfer analysis) or coupled with other modules (such as the Flow, Mixing, Stress Modules, etc.) for a
multi-physics simulation. The Heat Transfer Module includes:
• Applications
• Features
• Theory
• Limitations
• Implementation
• Examples
• References
Heat Transfer Module Applications
CFD-ACE+ can simulate many types of heat transfer problems. The simplest are pure heat conduction
problems (i.e., heat conduction through solids). More advanced applications will add the simulation of flow
or mixing phenomena, and the most advanced will add higher physical models such as radiation and
finite element stress solution. The Heat Transfer Module solves for the energy in the system and can be
used to produce the temperature field and energy transfer characteristics of the model.
Thermal Field Calculations

The Heat Transfer Module is often used to determine the thermal field within a given geometry. Use CFD-
ACE+ to predict the temperature field for comfort analysis or to determine if the materials can survive the
temperature environment.
Heat Transfer Calculations

The Heat Transfer Module solves the energy (total enthalpy) equation, and can be used to determine the
heat transfer characteristics of the system. CFD-ACE+ can determine the heat transfer rate through any
boundary (internal or external) of the model. Heat transfer rate calculations help determine heating or
cooling requirements.
Pure Conduction Problems

The simplest heat transfer analysis problems are pure conduction problems. In these cases there is no
fluid flow and all of the volume conditions are solids. CFD-ACE+ can handle these problems with ease
and can simulate cases with multiple solids with different properties.
Conjugate Heat Transfer Problems

In many engineering problems, the flow domain consists of internal solids such as baffles, tubes, fins, or
vanes. Thermal energy transport can occur across solid-fluid interfaces. In such cases, the fluxes on the
solid and the fluid sides must match at the interface. This is the correct conservative way to solve the
energy equation, and is called Conjugate Heat Transfer (CHT) analysis. Examples include cooling jacket
flows, heat exchanger analysis, and ice-melting (defrosting) on windshields.
Natural Convection Problems
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Modules
The Heat Transfer Module (in conjunction with the Flow Module) can be used to solve natural convection
problems. These flows are seen in many applications, such as free convective cooling problems, and
cooling towers.
Multi-Physics Applications
The Heat Transfer Module can be used with (and is required by) many of the other modules in CFD-
ACE+ to perform multi-physics analyses. Some of the more commonly added modules are given in the
list below. Examples of these types of applications are described in each module’s section.
• Flow (with or without Turbulence)
• Radiation
• Mixing (with or without gas-phase and surface reactions)
• Spray (with or without evaporation)
• Stress
• Plasma
• Electrophysics
Heat Transfer Module Features and Limitations of the Heat Module
Features
The Heat Transfer Module has the following built in features:
• The ability to model ice melting problems
• The ability to model moving (translating or rotating) solids (without grid motion)
• The ability to model solidification problems
• A special boundary condition to simulate a heat source adjacent to a wall
Ice Melting
The Ice Melting feature simulates the heat transfer requirements for the phase change of a material from
a solid state to a liquid state. The solver, however, will not allow the material to flow after it has melted.
This feature has been used extensively to simulate the transient defrosting process of automobile
windshields.
Solidification
The Solidification feature simulates the heat transfer in phase change during the solidification process.
Coupled with the flow module, this feature also allows you to simulate the mush flow in the mushy zone.
Two options are provided to describe the solidification process: isothermal and mushy.
Moving Solids
The Moving Solids feature simulates the heat transfer convection in a rotating or translating solid without
the need for implicit grid motion. A volume condition can be selected to be moving so that the heat flow
due to the motion of the solid can be captured. This feature has been used, for instance, to simulate the
heating of translating parts in an oven, and the cooling of automotive disk brake rotors.
Wall Heat Sources
67
The Wall Heat Source feature is an additional heat source/sink that can be applied to the cells adjacent to
wall boundary conditions. This allows the wall to be held to a fixed temperature, or heat flux, for instance
while the adjacent cells are supplied with heat by other means (such as a thin (sub grid scale) strip heater
or laser power deposition).
The wall, apart from being held at fixed temperature or heat flux, can also be held as adiabatic, external
heat (convect), external heat (radiate), or external heat (both). Therefore, all the options under the Heat
boundary conditions are applicable whenever you turn on the Wall Heat Source. See Boundary
Conditions-Walls for details.
Limitations
The following limitations apply when using the Heat Transfer module:
• When performing Ice Melting simulations, the solid known as ice is allowed to melt but is not
allowed to flow after it has been melted.
• Thin wall and parallel are not supported.
• Total heat source feature cannot be used in parallel runs, use volumetric heat sources instead.
• Arbitrary Interface on a conjugate wall is not recommended.
Heat Transfer Module Theory
The Theory section describes the mathematical equations used by the Heat Transfer Module. See
Numerical Methods for details on the methods used to solve these equations.
Heat transfer processes are computed by solving the equation for the conservation of energy. This
equation can take several forms and CFD-ACE+ numerically solves the energy equation in the form
known as the total enthalpy equation. This form is fully conservative and is given in equation 2-1. [1]
(2-1)
where:
ho = the total enthalpy and is defined as:
(2-2)
where:
i The internal energy and is a function of the state

=
variables ρ and T
The effective thermal conductivity of the material.
keff = In laminar flow, this will be the thermal conductivity
of the fluid, k. In turbulent flows:
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Modules
where σt is the turbulent Prandtl number.

p = The static pressure
The viscous stress tensor which is described in

τij =
detail in the Flow Module-Theory section
S h contains terms for additional sources due to reactions, radiation, spray, body forces, etc. The actual
source term for each of these features is described in the section that explains that feature.
Heat Module Model Setup
Implementation and Grid Generation
The Heat Transfer section describes how to set up a model for simulation using the Heat Transfer Module
of the CFD-ACE-Solver. The Heat Transfer Implementation section includes:
• Model Setup and Solution - Describes the Heat Module related inputs to the CFD-ACE-Solver
You can apply the Heat Transfer Module to any geometric system (3D, 2D planar, or 2D axisymmetric).
All grid cell types are supported (quad, tri, hex, tet, prism, poly).
The general grid generation concerns apply, for example, ensure that the grid density is sufficient to
resolve thermal gradients, minimize skewness in the grid system, and locate computational boundaries in
areas where boundary values are well known.
If you have regions in the geometry that have heat sources applied, or are moving solids or ice melting
regions, then the regions where they exist must be separate volume conditions. Using CFD-GEOM
terminology, in a structured grid, these will be separate structured blocks in 3D or faces in 2D. In an
unstructured grid, the regions must be defined as separate unstructured domains in 3D or loops in 2D.
This will help assign these regions as heat sources, ice melting, or moving solids.

Problem Type
details.
Select Heat Transfer to activate the Heat Transfer Module. The Heat Transfer Module is required for
many simulations and can work in conjunction with most of the other Modules in CFD-ACE+. The only
exceptions are the Cavitation and Free Surface Modules which must be run as isothermal problems.

Model Options-Shared Tab
There are no settings under the Shared tab that directly affect the Heat Transfer Module. However, if free
convection (buoyancy) flows are to be simulated then activation of the gravity source term under the
Shared tab will be necessary. See Control Panel-Model Options for details about this option.
If you want to run a simulation using Chimera, simply activate the Chimera option then make the
appropriate Chimera settings in the VC and BC tabs. For more information on the Chimera Grid option,
please check the Chimera Grid Methodology chapter.
69

Model Options-Heat Tab
The model options for the Heat Transfer Module are located under the Heat tab.
Model Options Panel in Heat Transfer Settings Mode
Ice Melting
Select Ice Melting to activate the ice-melting module. It is designed to compute the defrosting process for
ice-build up on automobile windshields. The ice melting properties need to be provided as volume
conditions and are described in Volume Conditions-Ice Melting Properties.
Solidification
Select Solidification to activate the solidification module that is designed to compute the solidification
process and the phase change process. The solidification properties need to be provided as volume
conditions and are described in Volume Conditions-Solidification Properties.
Moving Solid
Select Moving Solid to compute the convective terms in solids in the energy equation. Characteristics
about the moving solids need to be provided as volume conditions and are described in Volume
Conditions-Moving Solid Properties).
Heat Module Volume Conditions

Volume Conditions
Click the Volume Conditions [VC] tab to see the Volume Condition Panel. See Control Panel-Volume
Conditions for details. Before any property values can be assigned, a volume condition entity must be
made active by picking a valid entity from either the Viewer Window or the VC Explorer.
General heat sources can be specified by changing the volume condition setting mode to Heat. For
additional information, see Numerical Methods-Discretization-Direct Specification of Source Terms, User
Subroutines-User Defined Source Terms, and Solidification-Definition of Source Terms. With the volume
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Modules
condition setting mode set to Properties, select any volume conditions and ensure that the volume
condition type is set to either Fluid or Solid.
There are two volume condition properties required by the Heat Transfer Module; specific heat and
thermal conductivity.
If the Ice Melting feature has been activated, then inputs for the properties of the ice are required for solid
volume conditions.
The methods used to evaluate the specific heat and conductivity properties and the required inputs are
given in the table, Specific Heat Evaluation Methods and Required Inputs, and the following table,
Conductivity Evaluation Methods and Required Inputs.
Specific Heat: Thermal Conductivity

Constant Constant User Subroutine (UCOND)
Polynomial in T Prandtl Number
Piecewise Linear in T Polynomial in T
Mix JANNAF Method Piecewise Linear in T
Mix Polynomial in T Mix Kinetic Theory
Mix Piecewise Linear in T Mix Piecewise Linear in T
User Subroutine (UCPH_FROM_T) Mix Polynomial in T
Specific Heat
Constant
The constant options allows for the specification of the specific heat. This option is appropriate when the
specific heat of the material does not depend on any other quantity, such as temperature.
Required Module (s): Heat
Required Input (s): Specific Heat in J/kg-K
Polynomial in T
This option will calculate the specific heat as a function of temperature using a polynomial of the form:

The temperature and the corresponding specific heat at that temperature must be input, which the CFD-
ACE-SOLVER will take and use to interpolate between values to set the specific heat. The interpolation
is done as follows:
where n is the index for the table of inputs and runs from 1 to number of data pairs.
Required Input (s): Data pairs of Temperature and Specific
Heat
Mix JANNAF Method
The mix JANNAF method is curve fits for calculating the specific heat and enthalpy of the following form
71
The coefficients are obtained from curve fits of experimental data.

Required Module (s): Heat, Chemistry
Required Input (s): JANNAF coefficients, Lower
temperature limit, Break point temperature, and Upper
temperature limit
Mix Polynomial in T
The specific heat of the mixture is evaluated as
where

Required Input (s): Polynomial coefficients
The temperature and the corresponding specific heat at that temperature must be input for each species,
which the CFD-ACE-SOLVER will take and use to interpolate between values to set the specific heat.
The interpolation is done as follows:
where n is the index for the table of inputs and runs from 1 to number of data pairs. The specific heat for
each species is calculated and the mixture specific heat is then evaluated as:

Heat
User Subroutine (UCPH_FROM_T)

This option is available for implementing a user defined evaluation for specific heat if the option is not
available through CFD-ACE-GUI. The user subroutine required for setting the specific heat is
UCPH_FROM_T. For more information on user defined volume condition (property) routines, please
refer to the volume condition routine section of the User Subroutines chapter.
Thermal Conductivity
Constant
72
Modules
The constant options allows for the specification of the thermal conductivity. This option is appropriate
when the thermal conductivity of the material does not depend on any other quantity, such as
temperature.
Required Input (s): Thermal Conductivity in W/m-K
Prandtl Number
This option allows for the specification of the Prandtl number, which CFD-ACE-SOLVER will then use to
calculate the thermal conductivity. The thermal conductivity is then calculated as:

Required Input (s): Prandtl number
Polynomial in T
This option will calculate the thermal conductivity as a function of temperature using a polynomial of the
form:

The temperature and the corresponding thermal conductivity at that temperature must be input, which the
CFD-ACE-SOLVER will take and use to interpolate between values to set the thermal conductivity. The
interpolation is done as follows:
where n is the index for the table of inputs and runs from 1 to number of data pairs.
Required Input (s): Data pairs of Temperature and Thermal
Conductivity
[1]
Mix Kinetic Theory
The Mix Kinetic Theory option will use the kinetic theory of gases to calculate the thermal conductivity of
the gas or mixture of gases. For a pure monatomic gas, the thermal conductivity is defined as
where
ki = thermal conductivity of species i

MWi = molecular weight of species i
T = temperature in Kelvin
characteristic diameter of the molecule in
σi =
Angstroms
Ωk = collision integral
73
The collision integral, Ω k , is given by
*
where T is the dimensionless temperature and is given by
where ε is the characteristic energy, κ is Boltzmann's constant, and T is the temperature. To calculate
the mixture thermal conductivity using kinetic theory, the following equation is used:
where:
xi ,xj = mass fraction of species i and species j

µi = viscosity of species i
= dimensionless quantity
and Φ i,j is given by:

Characteristic Energy, and Collision Diameter. These
quantities must be input in the Database Manager for each
species.
The temperature and the corresponding thermal conductivity at that temperature must be input for each
species, which the CFD-ACE-SOLVER will take and use to interpolate between values to set the thermal
conductivity. The interpolation is done as follows:
where n is the index for the table of inputs and runs from 1 to number of data pairs. The specific heat for
each species is calculated and the mixture specific heat is then evaluated as:

Heat
74
Modules
Mix Polynomial in T
The thermal conductivity of the mixture is evaluated as
where

Required Input (s): Polynomial coefficients
User Subroutine (UCOND)

This option is available for implementing a user defined evaluation for thermal conductivity if the option is
not available through CFD-ACE-GUI. The user subroutine required for setting the specific heat is
UCOND. For more information on user defined volume condition (property) routines, please refer to the
volume condition routine section of the User Subroutines chapter.

Volume Conditions-Ice Melting Properties
If you have activated the Ice Melting feature, (see Heat Tab-Ice Melting for information on how to activate
this feature), you will be able to set phase change properties for any solid type of volume condition. The
default method is No Melting which means that the selected volume condition will not undergo a phase
change calculation. If you change the evaluation method to Constant, you will be required to input the
latent heat of fusion, melting temperature, and initial temperature. The solver will account for the energy
required for the phase change process.
See Also
Volume Conditions-Solidification Properties
Volume Conditions-Moving Solid Properties

If you have activated the Solidification feature (see Heat Tab-Solidification for information on how to
activate this feature), you will be able to set phase change properties for any fluid type of volume
condition. The default setting is No Solidification which means that the selected volume condition will not
undergo a phase change calculation. If the Isothermal option is selected, you will be required to input the
latent heat and solidification temperature.
If you choose the Mushy option, you must enter latent heat, melting temperature (TLow) and solidification
temperature (THigh). The solver will account for the energy required for the phase change process. See
Solidification Module-Solidification Process for details on the phase change process.
See Also

75
If you have activated the Moving Solid feature, (see Heat Tab-Moving Solid for information on how to
activate this feature) you can set the moving solid parameters for each solid type of volume condition.
To set moving solid parameters:

1. Set the volume condition setting mode to Heat.
2. Pick the volume conditions in the model that are of solid type.
3. Activate Moving Solid for the selected volume conditions.
4. Select a solid motion evaluation method (translation or rotation).
5. Specify the velocity (for translating solids) or rotation vector and center of rotation (for rotating
solids).
See Also
Boundary Conditions

Boundary Conditions-Introduction
The Heat Transfer Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface boundary
conditions. (See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions, or Arbitrary Interface
Boundary Conditions for details).
The boundary conditions for the Heat Transfer Module are located under the Heat tab and can be
reached when the boundary condition setting mode is set to General. Each boundary condition is
assigned a type (e.g., Inlet, Outlet, Wall, etc.). This section describes the implementation of each type
with respect to the Flow Module. The Boundary Conditions section includes:
• Inlets/Outlets
• Walls/Rotating Walls
• Symmetry
• Interfaces
• Thin Walls
• Cyclic

Boundary Conditions-Inlets/Outlets
Inlets
There are no Heat Transfer Module related settings available for inlet boundary conditions, temperature
at the inlet is specified under the Flow tab. See Inlets in Flow Module for more information.
Outlets
76
Modules
There are no Heat Transfer Module related settings available for outlet boundary conditions, temperature
at the outlet is specified under the Flow tab. See Outlets in the Flow Module for more information. The
specified outlet temperature will only be used in the case where there is inflow through the outlet
boundary.

Boundary Conditions-Walls/Rotating Walls
There are two types of wall boundary conditions available for the Heat Transfer Module:
• The boundary condition itself (i.e., the computational boundary)
• The ability to add a heat source to the cells adjacent to the wall boundary condition
For the wall boundary condition, the Heat Transfer Module needs to know how to set the heat flux for
each cell face on the boundary condition patch. There are various ways to specify the information and the
following six methods (known as Heat Subtypes) are available when you click the Heat tab, and select
one of the following from the Heat Subtype pull-down menu.
Adiabatic Option
The wall Adiabatic subtype sets the heat flux to zero. The wall temperature is allowed to float and will be
calculated by the solver.
Isothermal Option
The wall Isothermal subtype enables you to set the wall temperature (T w ) to a specified value. The heat
flux, qw, needed to maintain that value will be calculated by the solver as:
(2-3)
where:
k = fluid or solid conductivity

Tc = cell center temperature
distance from the wall to the cell
dx =
center
Heat Flux Option
The wall Heat Flux subtype enables you to fix the wall heat flux to a specified value. The wall temperature
is allowed to float and will be calculated by CFD-ACE-SOLVER. When you select the Heat Flux subtype,
the following panel appears and prompts you to select additional features:
77
• Constant: a constant heat flux (W/m2) can be specified at this boundary

• Profile X: you can input heat flux (W/m2) as a profile of X (m)
• Profile Y: you can input heat flux (W/m2) as a profile of Y (m)
• Profile Z: you can input heat flux (W/m2) as a profile of Z (m)
• Profile 2D: you can input heat flux (W/m2) as a profile in a 2D plane
• Profile in time: you can input heat flux (W/m2) as a profile in time (s)
• Profile from file: you can input heat flux (W/m2) from an outside file (file name is required and the
default path is current directory). The format of profile BC file can be found in Appendix A CFD-
ACE+ Files.
• Parametric: you can input heat flux (W/m2) as function of X, Y, Z, and T(time, s).
• User Sub(ubound): heat flux (W/m2) will be specified by user subroutine. See User Subroutines
(UBOUND).
External Heat Transfer (by convection) Option
The wall External Heat Transfer (Convect) subtype simulates heat transfer to/from the external
environment (i.e., the area outside of the computational grid system) by convection. This subtype fixes
neither the wall temperature or heat flux. Instead, the heat transfer at the wall is calculated as:
(2-4)
where:
hc = external heat transfer coefficient

Text = external temperature
The wall temperature (T w ) is determined by balancing the external and internal heat flux and solving for
the wall temperature.
External Heat Transfer (by radiation) Option
78
Modules
The wall External Heat Transfer (Radiate) subtype simulates heat transfer to/from the external
environment (i.e., the area outside of the computational grid system) by radiation. This subtype fixes
neither the wall temperature or heat flux. Instead, the heat transfer at the wall is calculated as:
(2-5)
where:
σ
2 4
= Stefan-Boltzmann constant (5.6696E-8 W/m -K )
εe = external emissivity coefficient
= temperature of the radiation source or sink
External Heat Transfer (by convection and radiation) Option
The wall External Heat Transfer (Both) subtype combines the convection and radiation subtypes so that
the heat transfer at the wall is calculated as:
(2-6)
Solid Cell at Wall
The Solide Cell at Wall option provides a simple treatment on the heat transfer in the external solid wall
(no mesh is required in the wall). In the figures below, ic1 and ic2 are two cells neighboring an external
wall boundary and solid cells are added in Figure 2. The key idea is described as:
The heat transfer between the wall and fluid cell:
(2-7)
Tw = wall temperature
Tc = temperature at the cell center
hf = fluid-side local heat transfer coefficient
Heat transfer from the solid cell to the fluid cell (no heat transfer from neighboring solid cells):
(2-8)
79
Ts = temperature of the solid cell

ks = thermal conductivity of solid
dn = thickness of the solid border
Wall Boundary - No Solid Cell Wall Boundary - With Solid Cell

For fixed flux and adiabatic wall boundary conditions:
(2-9)
With isothermal wall, T s is fixed, then:
(2-9A)
High thermal conductivity in the solid will promote the heat conduction between the local boundary cell
and its neighboring cells. The promotion effect can be included in the calculation of face conductivity.
Without solid cell, the face conductivity (between ic1 and ic2):
(2-10)
with solid cell:
(2-11)
As = face area between two neighboring solid cells

Af = face area between neighboring fluid cells
k = conductivity
F = weight function
We recommend that this model be applied on smooth surfaces.
Wall Heat Source
80
Modules
When checked, this option enables you to have a heat source imposed on the cells adjacent to any wall
boundary condition. Wall sources specify additional sources of heat in cells adjacent to wall boundary
conditions while still maintaining the wall boundary condition as specified above (e.g., isothermal,
adiabatic, etc.). Upon activating the Wall Heat Source option, you will be prompted to enter the per unit
2
area heat source (W/m ) to be applied to all of the cells adjacent to the active wall boundary condition.
This effectively adds a volumetric heat source to those cells. The total amount of heat added to each cell
2
(W) will be the per unit area heat source value specified (W/m ) multiplied by the area of the cell’s
2
boundary face (m ). Wall heat sources are not boundary conditions. They are additional conditions that
are imposed at the wall and their value must be known prior to the calculation.

Boundary Conditions-Symmetry
The symmetry boundary condition is a zero-gradient condition. Heat Transfer is not allowed to cross the
symmetry boundary condition so it effectively behaves as an adiabatic wall. No values need to be spec-
ified for symmetry boundary conditions.

Boundary Conditions-Interfaces
The interface boundary condition is used to allow two computational regions to communicate information.
If the interface boundary condition is used to separate two solid regions, or to separate a solid and fluid
region then a Wall Heat Source may be added. Interfaces that exist between two fluid regions cannot be
used for Wall Source specification.
Interface boundary conditions can be converted to Thin Walls (see Thin-Wall Boundary Conditions). See
Arbitrary Interface Boundary Conditions for information on other ways for computational domains to
communicate.

Boundary Conditions-Thin Walls
The Thin Wall boundary condition is fully supported by the Heat Transfer Module. You may optionally
choose to activate the Thermal Gap Model feature which reduces the heat transfer across the thin wall.
(See Thin-Wall Boundary Conditions for instructions on how to setup a Thin Wall boundary condition.
There are two Heat Transfer Module related settings available for a thin wall boundary condition;
thickness, and conductivity. Both of these settings can be found under the Heat Transfer (Heat) tab when
the thin wall has been selected.
The thickness and conductivity settings enable you to impose a heat transfer resistance which causes a
temperature jump to be calculated across the thin wall. See Thin-Wall Boundary Conditions for details on
how to set these values.
You may choose to activate the Wall Source feature which adds a heat source to the cells adjacent to
each side of the thin wall boundary condition. The wall source feature is described in detail in Walls and
its application to thin walls is described in Thin-Wall Boundary Conditions.

Boundary Conditions-Cyclic
The Cyclic boundary condition is fully supported by the Heat Transfer Module. See Cyclic Boundary
Conditions for instructions on how to setup a Cyclic boundary condition. There are no Heat Transfer
Module related settings for the Cyclic boundary condition.
81

Initial Conditions
Click the Initial Conditions [IC] tab to see the Initial Condition Panel. See Control Panel-Initial Conditions
for details.
file. If constant values are specified then you must provide initial values for the Heat Transfer Module. The
only value that needs to be specified is temperature (T).
Although the Initial Condition values do not affect the final solution, you should specify reasonable values
so that the solution does not have convergence problems at start-up.

Solver Control Settings
Spatial Differencing Scheme
Under the Spatial Differencing tab you can select the differencing method to be used for the convective
terms in the equations. Activating the Heat Transfer Module enables you to set parameters for enthalpy
calculations. The default method is first order Upwind. See Control Panel-Spatial Differencing Scheme for
details on the different differencing schemes. See Numerical Methods for numerical details of the
differencing schemes.
Solver Selection
Under the Solvers tab, select the linear equation solver to be used for each set of equations. Activating
the Heat Transfer Module enables you to set parameters for enthalpy calculations. The default linear
equation solver is the conjugate gradient squared + preconditioning (CGS+Pre) solver with 50 sweeps.
The default convergence criteria is 0.0001. See Control Panel-Solver Controls for more information on the
different linear equation solvers available. Also see Linear Equation Solvers for numerical details of the
linear equation solvers.
Relaxation Parameters
Under the Relaxation tab, select the amount of under relaxation to be applied for each of the dependent
(solved) and auxiliary variables used for the energy equation. Activating the Heat Transfer Module
enables you to set parameters for the dependent variable enthalpy, as well as the auxiliary variable,
temperature. See Control Panel-Under Relaxation Parameters for details on setting the under relaxation
values. See Numerical Methods-Under Relaxation for numerical details of how under-relaxation is
applied.
The enthalpy equation uses an inertial under relaxation scheme and the default value is 0.2. Increasing
this value applies more under relaxation and therefore adds stability to the solution at the cost of slower
convergence.
The calculations for temperature use a linear under relaxation scheme and the default values are 1.0.
Decreasing this value applies more under relaxation and therefore adds stability to the solution at the cost
of slower convergence.
settings will have to be changed, usually by increasing the amount of under-relaxation that is applied. If
the heat transfer problem is fairly simple, then the inertial factor for enthalpy can often be reduced to allow
faster convergence. There are no general rules for these settings and only past experience can be a
guide.
Variable Limits
82
Modules
The Limits Tab enables you to set minimum and maximum variable values. CFD-ACE+ will ensure that
the value of the variable will always remain within these limits by clamping the value. Activating the Heat
Transfer Module enables you to set limits for enthalpy and temperature variables. See Control Panel-
Variable Limits for details on how limits are applied.
Advanced Settings
In CFD-ACE+, by default, inertial under-relaxation of dependent variables is used to constrain the change
in the variable from one iteration to the next in order to prevent divergence of the solution procedure.
You can switch the default inertial relaxation method to the CFL based relaxation method by going to the
Solver Control panel's Advanced tab and checking the appropriate check boxes for each module.
The relaxation factor defined in SC-->Relax is used as the CFL multiplier. A general rule would be the
inverse value of usual inertial relaxation factor.
Effect of Value:
Viscous Dissipation - heating due to viscous work by the fluid, i.e. friction heating.

Output Options
The output desired from the Heat Module can be specified under the Out (Output) tab in the ACE+ GUI.
In terms of type and usage, the data that can be output from the Heat Module falls into five different
categories: (i) restart data; (ii) graphical solution data; (iii) summary data; (iv) monitor point/plane data;
and (v) user-specified data. Restart data and graphical solution data are usually output in non-readable
formats to the DTF file or to other binary-data files. Summary and monitor-point/plane data are usually
output in ASCII format to regular text files, possibly including the modelname.out file. User-specified data
is defined and controlled via the user-subroutine facility, and can be output either to the DTF file or other
binary-data files, or to regular text files..
Output Control
For a steady state simulation, the user can choose from one of two options to determine when the
solution data from the simulation (in graphical form) will be written to the DTF file. With the “End of
Simulation” option, the solution data will be written to the DTF file only once, and that is when the
maximum number of iterations has been reached or when the specified convergence criteria have been
attained. With the “Specified Interval” option, the solution data will be written at specified intervals during
the solution process, and the user has the option of creating a unique file for every output cycle, or of re-
saving the solution data to the same DTF file, modelname.DTF. If the user chooses the latter option, the
latest solution to be output over-writes any previously saved solutions. If the user chooses to have the
solution data written to unique files, these unique files will be named as in the following example:
modelname_steady.000025.DTF, where the number 25 in this example refers to the iteration number
after which the solution has been written to that file.
For transient simulations, the user can have results written out with a specified time-step interval (that is,
at the end of a fixed number of time-steps) or a specified integration-time interval (that is, at the end of a
fixed integration time period). With both choices, the results will be written to different DTF files numbered
in accordance with the time-step number.
Summary Output
83
Under the Summaries section of the Out tab, the user can activate the output of the Energy Flow Rate
Summary by clicking the check-box labeled “Energy Balance Summary”. The Energy Flow Rate Summary
data is output in text format to a file named modelname.ENGSUM.
• Name - The name of the boundary.
• Surface ID - The Surface ID value associated with the boundary.
• Type - The boundary type, such as “wall”, “inlet”, “outlet”, and “interface”.
• COND. +CONV. - Includes any energy source/sink due to conduction and convection.
• W_SRC. +CVD - W_SRC refers to any heat source/sink that is applied on the BC - Heat tab for a
wall boundary condition. The source is applied to the cells directly adjacent to the wall. CVD
refers to any source/sink of heat due to a surface reaction.
• RAD to SYS* - Any heat source/sink due to radiation.
• Sum - Summation of all the heat sources/sinks over the boundary.
• Total pressure work - This is the rate of work done on the fluid per unit volume by pressure
forces.
• Total volume source - This reports the data pertaining to a volume heat source in the system, if
such a source is present. Such a heat source can be introduced in the system during the problem
set up in the ACE+ GUI under VC --> VC Setting Mode:Heat.
• Transient term - This term only appears for transient cases. The transient term reports the
amount of heat that has entered the system at the current time step, but has not yet left the
system.
For radiation cases, a radiative heat summary is printed to the same output file when the Energy Flow
Rate Summary is activated on the Summary sub-tab. This summary reports the radiative heat for all the
boundaries in the model. If the Monte Carlo radiation model is being used, then the patch type, patch
temperature, and the number of rays absorbed is also reported, in accordance with the following format:
• Name - The name of the boundary.
• Surface ID - The Surface ID value associated with the boundary
• Type - The boundary type, such as “wall”, “inlet”, “outlet”, or “interface”.
• EMIT – The amount of heat being emitted from the boundary.
• ABSORB – The amount of heat being absorbed by the boundary.
• RAD Net – The net radiative heat on the boundary (RAD Net = ABSORB -EMIT).
• RAD to SYS* - The amount of heat contributed to the system
The Energy Flow Rate Summary written to the output file (modelname.ENGSUM) can be used to
determine the bulk behavior of the solution and to judge the extent of convergence of the simulation. This
is because the law of conservation of energy requires the summation of all energy transfers into and out
of the computational domain to balance with the rate of accumulation of energy in the computational
domain (unless heat sources or sinks are present). Therefore, the extent of imbalance in the transfer and
accumulation terms gives an indication of the extent of convergence of the solution, and any solution in
which the balance is not at least within one or two orders of magnitude relative to the inflow or the outflow
rates of energy cannot be considered well converged.
Graphical Output
Under the Graphics tab, you can select which variables to output to the graphics file (modelname.DTF).
These variables will then be available for viewing and analyzing in CFD-VIEW. Activating the Heat
Module enables output of the variables listed in the table:
84
Modules
Heat Transfer Module Graphical Output
Variable Units
Static Temperature K
Total Temperature K
Static Enthalpy J/kg
Specific Heat J/kg-K
Conductivity W/m-K
2
Wall Heat Flux W/m
Heat Residual -
Heat Transfer Module Post Processing

CFD-VIEW can post-process solutions. When the Heat Transfer Module is invoked, the temperature field
is usually of interest. A list of Heat Module post processing variables is shown in the table below. You can
view the temperature field with surface contours and analyze it using point and line probes.
COND Conductivity W/m-K

X-direction
CONDX W/m-K
Conductivity
Y-direction
CONDY W/m-K
Conductivity
Z-direction
CONDZ W/m-K
Conductivity
CP Specific Heat J/kg-K
H0 Total Enthalpy m2/s2
T Temperature K
T_TOT Total Temperature K
85
Wall_Heat_Cond_Flux Wall Heat Flux W/m2
Wall_Heat_Rad_Flux Wall Radiative flux W/m2
The heat transfer summary written to the output file (modelname.out) is often used to determine
quantitative results and judge the convergence of the simulation. Due to the law of conservation of
energy, the summation of all heat transfer into and out of the computational domain should be zero
(unless heat sources or sinks are present). In the simulation a summation of exactly zero is almost
impossible, but you should see a summation that is several orders of magnitude below the total heat
transfer into the system.
Heat Transfer Module Frequently Asked Questions
What is the Viscous Dissipation option?
Due to shear stresses in a flowing fluid, one layer of a fluid "rubs” against an adjacent layer of fluid. This
friction between adjacent layers of the fluid produces heat; that is, the mechanical energy of the fluid is
degraded into thermal energy. The resulting volumetric heat source is called viscous dissipation.
In most flow problems viscous dissipation heating is not important. However, this heating can produce
considerable temperature rises in systems with large viscosity and large velocity gradients. Examples of
situations where viscous heating must be accounted for include: (i) flow of a lubricant between rapidly
moving parts, (ii) flow of highly viscous fluids in high-speed viscometers, and (iii) flow of air in the
boundary layer during rocket reentry problems.
A non-dimensional number called the Brinkman number is a measure of the importance of the viscous
dissipation term. The Brinkman number, Br, is given by the ratio of the viscous heating to the conductive
heating.
where
ν = fluid velocity
µ = fluid viscosity
k = fluid thermal conductivity
T = fluid temperature
T0 = reference temperature
Typically, the viscous dissipation must be taken into account if the calculated Brinkman number has a
value greater than 0.1.
In the CFD-ACE-GUI, viscous dissipation is on by default under the SC/Adv/Heat Transfer section when
the Heat module is activated. It can be deactivated if the Brinkman number shows that viscous heating is
negligible for the model of interest.
Heat Transfer Module Examples
The following tutorials use the Heat Transfer Module exclusively:
• Conduction between Concentric Thick-walled Cylinders
The following tutorials use the Heat Transfer Module in conjunction with one or more other modules:
• Natural Convection between Concentric Thick-walled Cylinders
• Oil Flow through a Compliant Orifice
86
Modules

• Surface Reaction in a 2D Reactor
• Generic Semiconductor Reactor
Heat Transfer Module References
Versteeg HK and Malasekera, W., "An Introduction to Computational Fluid Dynamics." John Wiley &
Sons, Inc. New York, 1995. pp20.
Turbulence Module
Turbulence Module Introduction

The Turbulence Module enables you to simulate the phenomenon or the effects of turbulence.
Turbulence may have a strong influence on momentum, heat, and mass transfer. For problems with high
values of the Reynolds Number, you must activate the Turbulence Module and select an appropriate
turbulence model to simulate the effect of turbulence on the mean flow.
There are two main methods for studying turbulent flows: Reynolds Averaged Navier-Stokes simulations
(RANS) and Large Eddy Simulations (LES). CFD-ACE+ offers a wide choice of RANS and LES
turbulence models in the CFD-ACE-SOLVER. In all these models, the effect of turbulence on transport is
accounted for via turbulent or eddy viscosity. The Turbulence Module includes:
• Turbulence-Applications
• Turbulence-Features
• Turbulence-Theory
• Turbulence-Limitations
• Turbulence-Implementation
• Turbulence-Frequently Asked Questions
• Turbulence-Examples
• Turbulence-References
Turbulence Module Applications
Turbulent flow is encountered in a large number of practical applications in various industries, including,
but not limited to, turbomachinery, aerodynamic engineering, automotive engineering, and civil
engineering. Any moderate to high Reynolds Number flow problem will involve turbulence.
Turbulence Module Features
The CFD-ACE-Solver has several built-in turbulence models available. These models are explained in
detail in the Turbulence Theory section.
• Standard k-ε Model
• RNG k-ε Model
• Realizable k-ε (RKE) Model
• Kato-Lauder k-ε Model
• Low Reynolds Number k-ε Model (Chien)
• Two-Layer k-ε Model
• k-ε ν2F Models
• k-ω Model
87
• k-ω SST Model

• Spalart-Allmaras Model
• Large Eddy Simulations - SGS Models
• Smagorinsky Model
• Germano's Dynamic Subgrid Scale Model
• Menon's Localized Dynamic Subgrid Scale Model
• Constant Turbulent Viscosity
• User Defined Turbulent Viscosity
• Turbulence in Porous Media
The Turbulence Module can add surface roughness effects to the turbulence model through the input of a
roughness height. Details of this feature are in Turbulence-Boundary Condition.
Turbulence-Theory
Turbulence Module
Theory-Introduction
For more than a century the preferred approach in the treatment of turbulent flows has been to predict
macroscopic statistics using the RANS formalism. Introduced by Reynolds in 1895, this approach involves
a simple decomposition of the instantaneous fields into mean values and fluctuations via an averaging
operation. The issue of turbulence modeling arises from the need to represent turbulent or Reynolds
stresses, which are additional unknowns introduced by averaging the Navier-Stokes equations. A
common approach, adopted by CFD-ACE+, is the Eddy Viscosity approximation in which the Reynolds
stress tensor is assumed to be proportional to the rate of mean strain, by analogy with the laminar stress-
strain relationship. The proportionality parameter is called the turbulent or eddy viscosity, and is
expressed phenomenologically or obtained from transport equations. Unlike its laminar counter-part, the
turbulent viscosity is not a property of the fluid but rather a characteristic of the flow.
Within the framework of RANS modeling, various models differ in the way the turbulent viscosity is
calculated. These models are typically categorized by the number of additional transport equations to be
solved. Almost all the models in CFD-ACE+ involve the solution of two extra transport equations. One is
for the turbulent kinetic energy, k, and the other is for the rate of dissipation, ε, or the specific rate of
dissipation, ω.
Depending on the way the near-wall viscous sublayer is handled, these models are further classified into
high-Reynolds-Number and low-Reynolds-Number models. Here the qualifier Reynolds-Number refers to
the local turbulent Reynolds Number:
(3-1)
It will be shown that Re t is proportional to the ratio of the eddy viscosity to molecular viscosity, . High
Reynolds Number models are designed for regions where the eddy viscosity is much larger than the
molecular viscosity and, therefore, cannot be extended into the near-wall sublayers where viscous effects
are dominating. The standard wall-function model is used to bridge the gap between the high-Reynolds-
Number regions and the walls or to connect conditions at some distance from the wall with those at the
wall. Low-Reynolds-Number models are designed to be used in the turbulent core regions and the near-
wall viscous sublayers.
CFD-ACE+ contains several different turbulence models. You can choose any one of them to calculate
the turbulent viscosity. Mathematical formulations of all models are described in the Theory section:
• Theory-Reynolds Averaged Navier-Stokes Simulations
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• RNG k-ε Model
• Kato-Launder k-ε Model
• k-ω Model
• k-ω SST Model
• Theory-Large Eddy Simulations
• Theory-Constant Turbulent Viscosity
• Theory-User Defined Turbulent Viscosity
• Theory-Turbulence in Porous Media
Reynolds Averaged Navier-Stokes Simulations
Turbulence Module
Theory-Standard k-ε Model
Several versions of the k-ε model are in use in the literature. They all involve solutions of transport
equations for turbulent kinetic energy and its rate of dissipation. The one adopted in CFD-ACE+ is based
on Launder and Spalding (1974). In the model, the turbulent viscosity is expressed as:
(3-2)
The transport equations for k and ε are,
(3-3)
(3-4)
with the production term P defined as:
(3-5)
The five constants used in this model are:
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The standard k-ε model is a high Reynolds model and is not intended to be used in the near-wall regions
where viscous effects dominate the effects of turbulence. Instead, wall functions are used in cells
adjacent to walls.
Adjacent to a wall the non-dimensional wall parallel velocity is obtained from
(3-6)
(3-7)
where:
+
Here y v is the viscous sublayer thickness obtained from the intersection of equation 3-6 and equation 3-
7. The production and dissipation terms appearing in the turbulent kinetic energy transport equation are
computed for near wall cells using (Ciofalo and Collins, 1989):
(3-8)
(3-9)
Similarly for heat transfer if we define a non-dimensional temperature,
(3-10)
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then the profiles of temperature near a wall are expressed as (Ciofalo and Collins, 1989):
(3-11)
(3-12)
where P+ is a function of the laminar and turbulent Prandtl numbers (σ and σ t ) given by Launder and
Spaulding (1974) as:
(3-13)
Here y T + is the thermal sublayer thickness obtained from the intersection of equation 3-11 and equation 3-
+
12. Once T has been obtained, its value can be used to compute the wall heat flux if the wall
temperature is known, or to compute the wall temperature if the wall heat flux is known.
Turbulence Module
Theory-RNG k-ε Model
A variation of the k-ε model was developed by Yakhot and Orszag (Yakhot and Orszag, 1986) using a
renormalization group (RNG) approach in which the smallest scales of motion are systematically
removed. This model was subsequently modified by Yakhot et. al.
(1992). The model is formulated such that the equations for k and ε (equation 3-13 and equation 3-14)
have the same form as the standard k-ε models. The model coefficients, however, take different values
as:
The coefficient C ε 1 becomes a function of η, the ratio of time scales for turbulence and mean strain rate.
(3-14)
(3-15)
The constants in equation 3-14 have the values η 0 =4.38 and β=0.015. The rate of mean-strain tensor, S ij ,
is defined as follows:
(3-16)
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The RNG k-ε turbulence model is a high Reynolds Number model, so the k and ε equations are not
integrated to the wall. Wall functions, described in Error! Hyperlink reference not valid., specify the
values of k and ε at boundaries.
Turbulence Module
Theory-Realizable k-e Model
The realizable k-ε (RKE) turbulence model is most readily described and characterized as a variant of the
standard k-ε model. In particular, the RKE model can be derived from the standard k-ε model by the
following:
1. Replacing the transport equation for the rate of dissipation of turbulent kinetic energy, ε, in the standard
k-ε model with a similar transport equation that models the dissipation rate according to the dynamic
behavior of the mean square vorticity fluctuation in the high turbulent Reynolds Number limit; and
2. Replacing the eddy viscosity equation of the standard k-ε model with an eddy viscosity equation that
ensures satisfaction of the realizability constraints (for the normal and shear turbulent stress
components).
The transport equation for the turbulent kinetic energy, k, in the RKE model remains unchanged from that
in the standard k-ε model, and so do many of the main modeling characteristics and parameters.
The Dissipation Rate Equations for the RKE Model
The dissipation rate equation for the RKE model is modified from the standard k-ε model to the following
form:
where
where denotes the generation of turbulence kinetic energy due to buoyancy (and this term is actually
omitted from the current implementation in ACE+ for compatibility and consistence with the other
turbulence models implemented in ACE+), and where the parameters and are constants, is the
turbulent Prandtl number for ε, and is a user-defined source term. The model constants , , and
have been chosen to ensure that the RKE model performs well for certain canonical flows, and the
specific values to which these parameters have been set in the solver are as follows:
The form of the dissipation rate, ε, equation is quite different from that of the standard k-ε model and that
of the RNG model. One of the noteworthy features is that the production term in the ε equation (the
second term on the right-hand side of the equation) does not involve the production of k, that is, it does
not contain the same production term as the other k-ε models. It is believed that the form of the RKE
model better represents the spectral energy transfer. Another desirable feature of the equation is that the
destruction term (the next to last term on the right-hand side of dissipation rate equation) does not contain
any singularity, that is, its denominator never vanishes, even if k vanishes or becomes smaller than zero.
This characteristic contrasts markedly with other k-ε models, which have a singularity arising from the
denominator being equal to k.
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The Realizability Condition in the RKE Model

The term "realizable" means that the model satisfies certain mathematical constraints on the Reynolds
normal and shear stress components, ensuring consistence with the physical requirements of a turbulent
flow. Neither the standard k-ε model nor the RNG k-ε model is realizable.
To better understand realizability, consider combining the Boussinesq relationship and the eddy viscosity
definition to obtain the following expression for the normal Reynolds stress in an incompressible, strained
mean flow:
Using , one obtains the result that the normal stress, , which by definition must be a positive
quantity, becomes negative, that is, "non-realizable" whenever the strain becomes large enough to satisfy
Similarly, it can also be shown that the Schwarz inequality for shear Reynolds stresses ( ,
with no summation over and ) can be violated when the mean strain rate is sufficiently large. The
most straightforward way to enforce the realizability constraints (that is, the positivity of the normal
Reynolds stresses and the satisfaction of the Schwarz inequality for shear Reynolds stresses) is to make
variable by sensitizing it to the mean flow (mean deformation) and the turbulence quantities k and ε.
The notion of variable has been suggested by many modelers including Reynolds [Reynolds, 1987]
and is well substantiated by experimental evidence. For example, is found to be around 0.09 in the
inertial sub-layer of equilibrium boundary layers, and 0.05 in a strong homogeneous shear flow.
Modeling the Turbulent Viscosity in the RKE Model
As in other k-ε models, the eddy viscosity in the RKE model is computed from the relation
where all terms are as defined above. The difference between the realizable k-ε model and the standard
k-ε and the RNG k-ε models is, as mentioned above, that is no longer constant: in the RKE model, it
becomes a field variable, computed from the relation
where
and
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where is the mean rate-of-rotation tensor viewed in a rotating reference frame with the angular
velocity . The model constants and are given by
where
It can be seen that is a function of the mean strain and rotation rates, the angular velocity of the
system rotation, and the turbulence variables k and ε. The quantity as formulated above can be
shown to recover the standard value of 0.09 for an inertial sub-layer in an equilibrium boundary layer.
The Strengths, Weaknesses, and Distinguishing Characteristics of the RKE Model
The RKE model with the specific modified dissipation rate transport equation and the specific eddy
viscosity model that are described above was first proposed by Shih, et al. [Shih, et al., 1996]. The aim of
the new model was to overcome some of the recognized defects and deficiencies of the standard k-ε
model; namely, (i) the inaccurate reflection of the turbulent length scales in the transport equation for the
dissipation rate; and (ii) the over-prediction of the eddy viscosity for high shear rates. The first of these
defects and deficiencies is regarded as being responsible for the so-called "round-jet anomaly”, in which
the spreading rate for planar jets is predicted accurately but the spreading rate for axi-symmetric jets is
predicted poorly. The second of these defects and deficiencies is responsible for the poor performance
and accuracy for flows with strong separation and recirculation.
Thus, the RKE model will predict the spreading rate of both planar and axi-symmetric jets more accurately
than the standard k-ε model. The RKE model (like the RNG k-ε model) will also give more accurate
predictions than the standard k-ε model for flows with high mean shear rates, flows with large-scale
separations, flows with strong re-circulations or strong streamline curvature, flows involving boundary
layers under adverse pressure gradients, and flows with rotation. Furthermore, the improved predictions
of the RKE model (relative to those of the standard k-ε model) should be in all turbulence-dependent
quantities, including the wall shear stresses, the boundary-layer thicknesses, and the locations of
separation and re-attachment points. Furthermore, because of the explicit enforcement of realizability, the
RKE model is expected to have a slight edge over the RNG k-ε model for flows with strong separations
and re-circulations.
The only known defect of the realizable k-epsilon model arises from the incorporation of the mean rotation
in the computation of the turbulent viscosity, which may lead to non-physical turbulent viscosity
predictions in simulations with multiple rotating frames or multiple reference frames.
Following the explanations given above, the standard k-ε model can be expected to retain the accuracy
advantage over the RKE model in flows with dominant boundary layers and in flows with weak or no
separations, since by its formulation, the model dissipation equation of the RKE Model is valid in the limit
of high turbulent Reynolds Number.
Other than for the above comparisons, the RKE Model retains most of the characteristics, properties,
strengths, and weaknesses of the standard k-ε model (and other members of that family), especially with
respect to the flow regimes for which it is most applicable, and with respect to its convergence behavior
and its computational resource requirements.
Turbulence Module
Theory-Kato-Launder k-ε Model
Another extension to the standard k-ε model was given by Kato and Launder (1993) in their study of
turbulent flow around bluff bodies. They found it necessary to modify the turbulence production term to
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reduce the excessive level of turbulence, given by the standard model, in regions of flow stagnation. To
illustrate the modification, we first recast the standard production term as:
(3-17)
where S ij is the strain tensor as defined in equation 3-16 (see RNG k-ε Model).
In the Kato-Launder model the production term is modified as:
(3-18)
where Ω ij is the vorticity tensor and is defined as:
(3-19)
The Kato-Launder k-ε turbulence model is a high Reynolds Number model, so the k and ε equations are
not integrated to the wall. Wall functions, as described in the Standard k-ε Model section, are used to
specify the values of k and ε at boundaries.
Turbulence Module
Theory-Low Reynolds Number k-ε Model (Chien)
High Reynolds Number k-ε models require the use of wall functions. However, the commonly used wall
functions may not be accurate in flows, which include phenomena such as large separation, suction,
blowing, heat transfer, or relaminarization. This difficulty associated with wall functions can be
circumvented by using low-Reynolds Number k-ε models that permit the integration of momentum and k-ε
equations all the way to the wall. Several versions of low-Reynolds Number k-ε models have been
proposed. The k-ε equations are modified to include the effect of molecular viscosity in the near wall
regions. The general form of low-Reynolds Number k-ε models is given by the following equations:
(3-20)
(3-21)
(3-22)
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The low Reynolds model of Chien (1982) has been implemented in CFD-ACE+. The model parameters
appearing in the preceding equations are:
(3-23)
Since the wall shear stress is computed from finite differences for this model, the first grid-point should be
placed in the laminar sublayer (y+ ~ 1). Therefore, the Chien model requires the use of very fine grids near
solid boundaries.
Turbulence Module
Theory-Two-Layer k-ε Model
The difference between the high and low-Reynolds Number models lies in the near-wall treatment. With
wall-function approaches, the high-Reynolds Number models are, computationally, more robust and cost-
effective. However, such near-wall treatment only provides fair predictions of skin friction when the flow
runs primarily parallel to the wall and when the adjacent-to-wall grid cell center lies above the viscous
layer, say, y+ > 11.5. In the presence of complex geometry and flow conditions, wall-functions lose a
considerable amount of accuracy. On the other hand, low-Reynolds Number models may yield more
accurate results but require extensive grid refinement near the wall and are thus more expensive to use.
As a compromise, the concept of two-layer modeling is introduced (Chen & Patel, 1988) in which the
near-wall sublayer is divided into two layers. We use the standard k-ε model in the outer layer where
turbulent effect dominates. In the inner layer where viscous effect prevails, we use a one-equation model
where the ε-equation is replaced by an algebraic relation. With the two-layer model, turbulent viscosity is
calculated as:
(3-24)
The damping function f µ is defined as:
(3-25)
and the length scales are defined as:
(3-26)
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(3-27)
where the local turbulent Reynolds number is defined as:
The model constants are a = 50.5, b = 5.3, C l = κC µ -3/4 and the interface location is at f µ = 1, below which
the rate of dissipation is calculated as:
(3-28)
Turbulence Module
Theory - V2F Models
GI-Lien V2F Model
The model requires the solution for , , , and . The first two equations are similar to the
standard model.
(1)
(2)
(3)
(4)
(5)
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(6)
(7)
(8)
(9)
In addition, the velocity scale is represented by the turbulence velocity
(10)
where the production reads
(11)
with length scale defined as
(12)
GI-Lien version is a code-friendly formulation of V2F model.
Std-Lien and Std-Durbin V2F Model
These versions of models use the standard equations.
(13)
(14)
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at the walls, ,
(15)
The transport equation for turbulence velocity is
(16)
the production term represents redistribution of turbulence energy. The system is closed by an elliptic
relaxation equation for
(17)
(18)
Using Boussinesq approximation for the stress-strain relation
(19)
where
(20)
Model constants are given by
(21)
In Std-Lien version, is used, which requires the following modifications
, (22)
model constraints:
(23)
Std-Lien version is more code-friendly than Std-Durbin.
LKD-Lien and LKD-Durbin V2F Model
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The first two equations for and are defined as
(24)
(25)
where the time and length scales, and , are
(26)
Realizability constraints are use in both equations
(27)
where
(28)
Two versions of the model define the formulation for and equations
(29)
(30)
(31)
(32)
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corresponds to the LKD-Lien version of the model, while corresponds to the LKD-Durbin
version. The model constants above are for . For the following modifications for , ,
and are required.
(33)
,
where .
The LKD-Lien version is more code-friendly than the LKD-Durbin version.
Turbulence Module
Theory-k-ω Model
The k-ω turbulence model is a two-equation model that solves for the transport of ω, the specific
dissipation rate of the turbulent kinetic energy, instead of ε. The k-ω model in CFD-ACE+ is based on
Wilcox (1991). The eddy viscosity in this model is:
(3-29)
where:
(3-30)
The transport equations for k and ω are:
(3-31)
(3-32)
The model parameters in the above equations are all assigned constant values:
(3-33)
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The boundary conditions for k and ω at wall boundaries are:

(3-34)
k = 0 at y = 0,
(3-35)
where y 1 is the normal distance from the cell center to the wall for the cell adjacent to the wall. The
location of the cell center should be well within the laminar sublayer for best results (y+ ~ 1). This model,
therefore, requires very fine grids near solid boundaries.
Turbulence Module
Theory-k-ω SST Model
Menter transformed the standard k-ε model into the k-ω form, and developed a blending function F 1 that
is equal to one in the inner region and goes gradually towards zero near the edge of the boundary layer
(Menter, 1994). In the inner region the original k-ω model is solved, and in the outer region a gradual
switch to the standard k-ε model is performed. The idea behind the SST model is to introduce an upper
limit for the principal turbulent shear-stress in the boundary layers in order to avoid excessive shear-
stress levels typically predicted with Boussinesq eddy-viscosity models.
The SST model performs like k-ω model, but less sensitive to the free-stream values, .
where is the rotation and curvature sensitization function.

The model constant are evaluated from:
, and can be calculated from:
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the last term in ω equation is the cross-diffusion term, which makes the model insensitive to the free-
stream ω. The blending function, F 1 , is given by:
and
stands for the positive portion of the cross-diffusion
is obtained from the maximum value of cross-diffusion term multiplied by a factor of .
is defined as
where , is a scalar measure of the vorticity tensor which is defined by:
This is the SST limitation for . The purpose of function F 2 is to prevent the activation of the SST
limitation in the free shear flows. It is given by
The function F 3 is designed to prevent the SST limitation from being activated in the roughness layer in
rough-wall flows, and it is given by [Antti, 1997]
d is the distance to the nearest surface point.
Turbulence Module
Theory-Spalart-Allmaras Model
The Spalart-Allmaras model is a one-equation model that solves a transport equation for the kinematic
eddy viscosity (1992). This model has been specifically designed for aerospace applications. CFD-ACE+
uses a wall function approach and solves the following transport equation for the eddy viscosity:
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(3-36)
where:
The transport equation is solved using the following model constants:
Large Eddy Simulations
Turbulence Module
Theory-Large Eddy Simulations Introduction
Large Eddy Simulations (LES) are considered somewhere between the model-free Direct Numerical
Simulations (DNS) and RANS with respect to both physical resolution and computational costs. LES
partly inherits the robustness and universality of DNS, allowing accurate prediction of the coherent
structures in turbulent flows. The cost for LES is lower than for DNS because the resolution requirements
for LES are of the same order as those for RANS. In most turbulent flows of practical interest the motion
on the order of the dissipation scale cannot be evaluated explicitly due to limitations on the available
computational resources required to resolve the physics of the flow. To overcome this limitation, the
governing equations have to be altered in such a way that the activity at the level of unresolved scales is
mimicked by a proper model, and only the large-scale fluctuations are explicitly taken into account.
In LES, a smoothing (low pass) filter of constant kernel width achieves separation of scales, decomposing
a given field into a resolved component and a residual component (also called sub-grid fluctuations).
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Operationally, the filtering is described by the convolution:
(3-37)
where represents the filtered value of the field variable f, G denotes the filter, which is a symmetric
function with compact support and ∆f is the filter width (assumed constant in the standard LES
formulation). In variable density flows, it is best to use Favré (density weighted) filtering. Applying the
filtering operation, the Navier-Stokes equations for the evolution of the large-scale motions are obtained.
The filtered equations contain unknown terms such as (velocity-velocity correlation)

arising from the filtering of nonlinear terms and are known as subgrid scale (SGS) stresses.
Turbulence Module
Theory-Large Eddy Simulations-SGS Models Introduction
The most popular model for engineering applications is arguably the Smagorinsky model (1963), where
the eddy viscosity is proportional to the square of the grid spacing and the local strain rate. The constant
of the model follows from an isotropy-of-the-small-scales assumption. The standard Smagorinsky model
gives interesting results in free-shear flows, but fails in the presence of the boundaries and is proverbial
nowadays for its excessive dissipation. Attempts to determine the model constant in a flow dependent
fashion, have produced several generations of the dynamic model since the paper of Germano, (1992).
Using a double filtering technique, the constant arising in the Smagorinsky model is computed as a
function of space and time.
Turbulence Module
SGS Models-Smagorinsky Model
Based on the original SGS model proposed by Smagorinsky (1963), the SGS eddy viscosity is computed
based on the grid spacing and local strain rate:
(3-38)
where ∆ is the filter (grid) width. The constant (C s = 0.05-0.2) of the model follows from the isotropy-of-
the-small-scales assumption.
Turbulence Module
SGS Models-Germano's Dynamic Subgrid-Scale Model
The Smagorinsky model constant is dynamically determined local flow conditions (Lilly et al. 1992). The
grid-filtered Navier-Stokes equations are filtered again using a test filter larger than the grid size and eddy
viscosity is computed as:
(3-39)
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where ∆ is the filter width and L ij and M ij are related to sub-grid and sub-test filter scale stresses (Galperin
& Orzag 1993). In addition to the strain invariant, the dynamic model requires the computation of filtered
velocities, Reynolds stresses, and strain components and consumes more computational resources.
Turbulence Module
SGS Models-Menon's Localized Dynamic Subgrid-Scale Model
The Localized Dynamic Subgrid-Scale model (LDKM) uses scale-similarity and the subgrid-scale kinetic
energy:
(3-40)
to model the unresolved scales. Using k sgs the SGS stress tensor is modelled as:
(3-41)
with the resolved-scale strain tensor defined as:
(3-42)
In the modelling of the SGS stresses, implicitly the eddy viscosity is parameterized as:
(3-43)
.
The subgrid-scale kinetic energy is obtained by solving the transport equation:
(3-44)
which is closed by providing a model for the SGS dissipation rate term, ε sgs based on simple scaling
arguments:
(3-45)
In these models, C τ and C ε are adjustable coefficients determined dynamically using the information from
a resolved test-scale field. The test-scale field is constructed from the large scale field by applying a test
filter which is characterized by , the test filter width. In this project, with arbitrary grids, we are
using a test filter consisting of a weighted average of the cells sharing a node with the current cell. This
average is biased towards the current cell, with a weight equal to the number of vertices of the cell. The
cells that share a face with a current cell have a weight of two.
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The application of the test filter on any variable is denoted by the top hat. By definition, the Leonard stress
tensor at test-scale level is:
(3-46)
.
The Leonard stress tensor and the SGS tensor are known to have high degrees of correlation, which
justifies the use of similarity in the derivation of the dynamic model coefficients. The resolved kinetic
energy at the test filter level is defined from the trace of the Leonard stress tensor:
(3-47)
This test scale kinetic energy is dissipated at small scales by:
(3-48)
Based on a similarity assumption and using appropriately defined parameters, the Leonard stress tensor
has a representation analogous to the SGS stress tensor:
(3-49)
The least square method is applied to obtain the model constant:
(3-50)
where:
(3-51)
Finally, a corresponding approach is used to determine the dissipation rate constant. By invoking
similarity between the dissipation rates at the subgrid level and at the test scale level C ε is determined to
be:
(3-52)
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The coefficients of the LDKM model are Galilean invariable and realizable. This model is also quite simple
and efficient, does not rely on ad hoc procedures, and is applicable to various flow fields without
adjustment of the model.
Turbulence Module
SGS Models-Detached Eddy Simulation (DES)
Detached-Eddy Simulation (DES) is a hybrid technique for prediction of turbulent flows at high Reynolds
numbers. Development of the technique was motivated by estimates which indicate that the
computational costs of applying Large-Eddy Simulation (LES) to complete configurations such as an
airplane, submarine, or road vehicle are prohibitive. The high cost of LES when applied to complete
configurations at high Reynolds numbers arises because of the resolution required in the boundary
layers, an issue that remains even with fully successful wall-layer modeling.
In Detached-Eddy Simulation (DES), the aim is to combine the most favorable aspects of the two
techniques, i.e., application of RANS models for predicting the attached boundary layers and LES for
resolution of time-dependent, three-dimensional large eddies. The cost scaling of the method is then
favorable since LES is not applied to resolution of the relatively smaller-structures that populate the
boundary layer.
Theory
The base model employed in the majority of DES applications to date is the Spalart-Allmaras one-
equation model (Spalart and Allmaras 1994, referred to as S-A throughout). The S-A model contains a
destruction term for its eddy viscosity which is proportional to , where d is the distance to the wall.
When balanced with the production term, this term adjusts the eddy viscosity to scale with the local
deformation rate S and d: . Subgrid-scale (SGS) eddy viscosities scale with S and the grid spacing
, i.e., . A subgrid-scale model within the S-A formulation can then be obtained by replacing d
with a length scale directly proportional to the grid spacing.
To obtain the model used in the DES formulation, the length scale of the S-A destruction term is modified
to be the minimum of the distance to the closest wall and a lengthscale proportional to the local grid
spacing, i.e., . In RANS predictions of high Reynolds number flows the wall-parallel
(streamwise and spanwise) spacings are usually on the order of the boundary layer thickness and larger
than the wall-normal spacing. Choosing the lengthscale for DES based on the largest local grid spacing
(i.e., one of the wall-parallel directions) then ensures that RANS treatment is retained within the boundary
layer, i.e., near solid walls, d and the model acts as S-A, while away from walls where
a) Basic equation
The DES formulation in this study is based on a modification to the S-A model such that it reduces to
RANS close to solid surfaces and to LES away from the wall (Spalart et al. 1997). The S-A RANS model
is written as (see Spalart and Allmaras 1994),
(3-53)
Where is the working variable. The eddy viscosity is obtained from
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(3-54)
Where is the molecular viscosity. The production term is expressed as
(3-55)
(3-56)
where S is the magnitude of the vorticity. The production term as written in (3) differs from that developed
in Spalart and Allmaras (1994) via the introduction of and re-definition of . These changes do not
alter predictions of fully turbulent flows and have the advantage that for simulation of flows with laminar
separation, numerical diffusion upstream of the eddy viscosity into attached, laminar regions is prevented.
The function is given by
(3-57)
The function is defined as
(3-58)
The trip function is specified in terms of the distance from the field point to the trip, the wall vorticity
at the trip, and which is the difference between the velocity at the field point and that at the trip,
(3-59)
where and is the grid spacing along the wall at the trip. For the current
simulations, was set to zero to alleviate the high cost of evaluating . For simulations in which the flow
is tripped, large levels of eddy viscosity are added at designated trip locations. The wall boundary
condition is . The constants are:
The DES formulation is obtained by replacing the distance to the nearest wall, , by , where is defined
as
(3-60)
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In Eqn. (3-60) for the current study, is the largest distance between the cell center under consideration
and the cell center of the nearest neighbors (i.e., those cells sharing a face with the cell in question). In
"natural" applications of DES, the wall-parallel grid spacings (e.g., streamwise and spanwise) are on the
order of the boundary layer thickness and the S-A RANS model is retained throughout the boundary
layer, i.e. . Consequently, prediction of boundary layer separation is determined in the 'RANS mode'
of DES. Away from solid boundaries, the closure is a one-equation model for the SGS eddy viscosity.
When the production and destruction terms of the model are balanced, the length scale in the
LES region yields a Smagorinsky eddy viscosity . Analogous to classical LES, the role of is to
allow the energy cascade down to the grid size; roughly, it makes the pseudo-Kolmogorov length scale,
based on the eddy viscosity, proportional to the grid spacing. The additional model constant
was set in homogeneous turbulence.
b) Descritizations
FVS, FDS and AUSM (explicit only) can be employed to descritize the above scalar transport equations,
which are default options for general use in FASTRAN GUI.
c) Boundary conditions
In addition to normal boundary conditions used in other turbulence models, DES also accepts the random
inlet boundary conditions for velocities. Two types of random inlets are supported: Gaussian random and
time-correlated Gaussian random. Both the Gaussian and time correlated methods randomly perturb the
mean inlet velocity components over the faces of the inlet boundary using a Gaussian profile of the root
mean squared (RMS) turbulent intensities at each time step. The time correlated method further specifies
that the perturbation is correlated over a length of running time. In Gaussian random method, Box-Muller
transform is employed to generate random number and is a method of generating pairs of independent
standard normally distributed random numbers, given a source of uniformly distributed random numbers.
It is commonly expressed in two forms. The basic form as given by Box and Muller takes two samples
from the uniform distribution on the interval (0, 1] and maps them to two normally distributed samples.
The polar form takes two samples from a different interval, [−1, +1], and maps them to two normally
distributed samples without the use of sine or cosine functions.
d) Properties
No specific requirement.
User Input
Activation of this model is under MO->Flow tab as shown Fig. 1. Typical value of the DES constant is
0.65, but FASTRAN also allows users to change as they like. The variation of DES constant is just for
tuning specific cases, which would be benefit and convenience to and for user’ research orientation. It is
strongly recommended that user should keep the default value for DES simulations. Random inlet
boundary conditions can be specified for DES model as shown in Fig. 2.
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Figure 1: Activation of DES model
User Output
The output for DES is the same as that for S-A turbulence model.
Limitations
Like LES model, physically DES is only applicable for transient flow problems. One can carry out steady
simulations with DES, but the results do not serve as physical meanings. At present, DES model is only
available for structured grid solver in FASTRAN. Also it is recommended that user employ DES for
accurate predictions involving massive separation flows.
Future Extensions
While DES has demonstrated that it is relatively well understood in massively separated flows
characterized by thin boundary layers prior to separation, an incorrect behavior can be encountered in
flows with thick boundary layers and/or shallow separations. To address these deficiencies, new modified
DES known as Delayed-Detached Eddy Simulation (DDES) has been developed. For next release, DDES
turbulence model will be implemented into FASTRAN.
111
Figure 2: Random inlet boundary conditions specifications
Test Cases
Two cases have been performed to test the implementation of DES turbulence model; one is 2D
NACA0012 airfoil, the other 3D box. For both cases, the DES constant is equal to 0.65.
a) NACA0012 airfoil
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DES implemented was firstly used to compute the flow over a NACA0012 airfoil at a Reynolds number of
4
6*10 and a Mach number of 0.00288 with angle of attack = 0. The configuration, computing conditions
and the results are shown in Fig. 3
b) 3D box
4
DES is then applied to predict the flow around a 3D box at a Reynolds number of 3*10 and a Mach
number of 0.00288 with angle of attack = 0 . It has been shown that over a wide range of Reynolds
numbers the flow is characterized by the vortex shedding with large-scale vorticity emanating from the
shear layer which separates from surface of the box. The main goal of this case is to compare the results
obtained using traditional RANS and DES. The comparison includes the time history of integral
parameters such as drag coefficient and mean distribution of pressure around the box. The configuration
is shown in Fig. 4, and computing conditions and the results are shown in Fig. 5
References
Spalart, P.R., Allmaras, S.R.: A one-equation turbulence model for aerodynamic flows, La Recherche
Aerospatiale, 1 pp. 5-21, (1994).
Spalart P.R., Jou W.H., Strelets M., Allmaras S.R.: Comments on the feasibility of LES for wings, and on
a hybrid RANS/LES approach, 1st AFOSR Int. Conf. on DNS/LES, Aug. 4-8, 1997, Ruston, LA. In:
Advances in DNS/LES, C. Liu and Z. Liu Eds., Greyden Press, Columbus, OH, USA (1997).
(a) t = 0.1 s
(b) t = 1 s
113
(c) t = 2 s
(d) t = 3 s
(e) t = 4 s
(f) t = 5 s
DES S-A
Fig. 3 Comparison between DES results and S-A results for NACA0012 airfoil
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Modules
Fig. 4 A 3D box geometry
(a) t = 0.1 s
(b) t = 0.5 s
115
(c) t = 1 s
(d) = 1.5 s
(e) t = 2 s
DES S-A
Fig. 5 Comparison between DES results and S-A results for a 3D box
Transition Models
Turbulence Module
Theory-Transition Models Introduction
This model is based on two transport equations: an intermittency equation used to trigger the transition
process, and an equation for transition momentum thickness Reynolds number used as the local onset
parameter. The strength of this model is to mimic the quality of correlations based model but put in the
framework of local (single point) approach so that it is realizable within a modern, multi-domain CFD
framework.
A disputable drawback of this model is the added computational requirements, since it solves two
additional transport equations. The additional CPU requirement, however, can be reduced by solving only
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Modules
the intermittency equation using a user specified value of the transition onset Reynolds number ( is
treated as a constant).
Turbulence Module
Theory-Transport Equation for Intermittency
The intermittency equation is formulated as follows:
(1)
The source terms are defined as
(2)
(3)
where is the strain rate magnitude. , which serves to trigger the intermittency production, is
formulated as a function of the vorticity Reynolds number,
(4)
(5)
(6)
(7)
(8)
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(9)
where the critical Reynolds number where the intermittency first starts to increase in the boundary layer,
in equation 5, is related to the transition momentum thickness Reynolds number according to
(10)
with function in such a way that occurs upstream of . The function in equation 2 is an
empirical correlation that controls the length of the transition region.
The destruction terms are defined as
(11)
(12)
where is the vorticity magnitude. These terms ensure that the intermittency remains zero in the laminar
boundary layer (it is one in the freestream) and also enables the model to predict re-laminarisation. The
function is designed to disable the destruction terms outside of a laminar boundary layer or viscous
sublayer, and is defined as
(13)
The model constants for the intermittency equation are
(14)
(15)
(16)
The boundary condition for at a wall is zero normal flux while at inlet is equal to 1. For accurate
transition the grid must satisfy . If is too large (5), the transition onset location moves upstream
with increasing . The recommended advection scheme is second order upwind or central scheme, and
the wall normal grid expansion ratio is about 1.1. The correlation functions and at
present are proprietary to CFX. The following correlations have been proposed to replace the proprietary
versions,
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Modules
(17)
(18)
Turbulence Module
Theory-Transport Equation for Transition Momentum Thickness Reynolds Number
The transport equation for the transition momentum thickness Reynolds Number is defined as
follows:
(1)
The source term is designed to force the scalar to match the local value of calculated from
an empirical correlation outside the boundary layer
(2)
(3)
with being a time scale for dimensional reason. The blending function is used to turn off the source
term in the boundary layer. It is thus equal to zero in the freestream and one in the boundary layer
(4)
with
(5)
The model constants for the onset Reynolds number equation are
119
(6)
The boundary condition for at a wall is zero flux, while at an inlet should be calculated from the
empirical correlation based on the inlet turbulence intensity.
Turbulence Module
Theory - Correction for Separation Induced Transition
With the formulation up to this point, the reattachment downstream of laminar separation occurs much
later than should be. To correct this deficiency, the local intermittency is allowed to exceed 1 whenever
laminar separation occurs. This results in a large production of which expedites reattachment. The
correction for the intermittency function is as follows
(1)
(2)
(3)
(4)
Turbulence Module
Theory - Coupling with Turbulence Model
Although in principle the intermittency function obtained from the model can be applied to any
RANS models based on the Boussinesq approximation, the transition model has been calibrated for use
with the SST model of Menter. The coupling is as follows
(1)
(2)
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Modules
where
(3)
(4)
with and the production and destruction terms from the original SST turbulence model and
obtained from above. The blending function , responsible for switching between the and
models is modified as follows
(5)
(6)
(7)
The modified blending function is used when the transition model is activated.
Transition Models-Empirical Correlations
Turbulence Module
Transition Models - Empirical Correlations Introduction
The quantity in equation 2 of the Transport Equation for Transition Momentum Thickness Reynolds
Number chapter has been determined from a correlation , where is the local
turbulence intensity and is the acceleration as a measure of the pressure gradient. Two
alternatives of such correlation are available: Abu-Ghannam and Shaw correlation and Menter
correlation.
Turbulence Module
Theory - Abu-Ghannam and Shaw Correlation
The empirical correlation of Abu-Ghannam and Shaw is defined as follows::
(1)
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(2)
(3)
where
(4)
Turbulence Module
Theory-Menter Correlation
The empirical correlation of Menter is defined as follows:
(1)
(2)
(3)
where-
(4)
(5)
(6)
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Modules
(7)
(8)
(9)
(10)
For numerical robustness the acceleration parameter and the empirical correlation should be limited as
follows:
(11)
(12)
(13)
Turbulence Module
Constant Turbulent Viscosity
You can specify a constant value for the turbulent viscosity. This method is made available in CFD-ACE+
only for simplicity. It is not recommended for most practical applications.
Turbulence Module
User Defined Turbulent Viscosity
CFD-ACE+ enables you to define your own method of calculating turbulent viscosity. User-calculated
values of turbulent viscosity are integrated into the solver through the user-subroutine UVISC. The user
defined turbulent viscosity option is only implemented for the k-ε mode and it only sets the turbulent
viscosity. When using this option, you do not have to choose the UVISC option under the VC tab.
Turbulence Module
Turbulence in Porous Media
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Turbulence modeling in porous media is relevant to the calculations of heat and mass transfer, and to the
calculation of flow in continuum regions bounding the porous media. Appropriate modifications to the
turbulence transport equations for the porous region are unlikely to be available. For k-ε turbulence
models, CFD-ACE+ provides the following simple algebraic functions to estimate the turbulent kinetic
energy and turbulent dissipation rate:
(3-53)
and
(3-54)
Here is local superficial velocity magnitude; α is empirical constant of 0.1; I and L are user-supplied
average turbulence intensity and length scale in porous regions, respectively. The typical value for I might
be 0.01~0.04. L is usually set to be the hydraulic diameter of the porous passage.
Turbulence Module
Wall Functions
There are three options for wall functions in the turbulence module:
• standard wall function (default)
• two-layer model
• non-equilibrium model
Two Layer Model
The two-layer approach is used to specify both and the turbulent viscosity in the near wall cells. In this
approach, the whole domain subdivided into a viscosity-affected region and a fully-turbulent region.
These two regions are determined by the local turbulence Reynolds number, Re y , which is defined as
(1-12)
where y is the normal distance from the wall from the cell centers. In the fully turbulent region (Re y >
* *
Re y , Re y = 200), the k-ε based turbulence model are solved. In the viscosity-affected near-wall region
*
(Re y Re y ), the one-equation model of Wolfstein [000] is employed. In this model, the turbulent
viscosity, µ t , is computed from
(1-13)
where l µ is the length scale and is computed from
(1-14)
The final effective turbulence viscosity is calculated as
(1-15)
The blending factor λ is defined as
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Modules
(1-16)
The constant A determines the width of the bending function. By defining a width such that the value of λ
will be within 1% of its far-field value given a variation of ∆Re y (by default, 10% of Re y ), the result is:
*
(1-17)
The ε is computed from
(1-18)
and the length scales l t is computed from Chen and Patel [000]
(1-19)
There constants in the length scale formulas are taken from [000]
(1-20)
Non-Equilibrium Model (pressure gradient sensitized velocity log-law)
This is a two-layer wall function approach, where each wall cell is divided into two layers (see Figure 1)
• viscosity dominated sublayer where the shear stress, τ, is only due to laminar viscosity
• fully-turbulent core region where Reynolds stress solely contribute to total shear
These two layers are assumed to be sharply demarcated at y v , a dimensional thickness of the viscous
sublayer. It is also assumed that thin-layer assumptions are largely applicable (e.g. , etc.,
where x, y, u, and v are local coordinates and mean velocity components in the tangential and normal
directions.) The key elements in the non-equilibrium wall functions are:
• the Launder and Spalding’s log-law for mean velocity is sensitized to pressure-gradient effects
• the two-layer-based concept is adopted to compute the budget of turbulence kinetic energy in the
wall neighboring cells
With these assumptions, in the viscous sublayer is given by
(1-1)
In the turbulent core region, employing Boussinesq’s eddy viscosity hypothesis gives:
(1-2)
125
The shear stress profile in the inner layer can be obtained by integrating the momentum equation in the
tangential direction with respect to y:
(1-3)
It is a fair approximation that, in the viscous sublayer, the contribution from inertia is negligible. Then we
can write for the viscous sublayer:
(1-4)
Figure 1. The two-layer concept

In the fully-turbulent core, the acceleration effect can not be neglected, and experimental evidence
indicates that the shear stress is nearly linear in the turbulent core region. Ensuring the shear stress is
continuous at y = y v yields a linear profile:
(1-5)
In viscous sublayer:
(1-6)
In the turbulent core region:
(1-7)
where µ t is given by
(1-8)
The log-law for mean velocity sensitized to pressure gradients is
(1-9)
where
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Modules
(1-10)
and y v is the physical viscous sublayer thickness, which is computed from
(1-11)
Turbulence Module Limitations

All the turbulence models in CFD-ACE+ assume isotropy of turbulent transport. The validity of this
assumption is questionable for flows with strong streamline curvature, swirling flows, re-circulation and
impingement.
Turbulence-Implementation
Turbulence Module
Implementation Introduction
The Implementation section describes how to setup a model for simulation using the Turbulence Module.
The Implementation section includes:
• Grid Generation - Describes the types of grids that are allowed and general gridding guidelines
• Model Setup and Solution - Describes the Turbulence Module related inputs to the CFD-ACE-
Solver
Turbulence Module
Implementation-Grid Generation
The Turbulence Module can be applied to any geometric system (3D, 2D planar, or 2D axisymmetric).
Furthermore all grid cell types are supported (quad, tri, hex, tet, prism, poly).
Generally, the grid needs to be clustered near the walls. The dimensionless distance of the adjacent-to-
+
wall cells, y value, is a good indication of how fine the grid is near the wall. When choosing any one of
+
the low-Reynolds Number models, including the k-ω model, the y value should be below 1.0. When wall
+
functions are used, the y value need to be greater than 11.5 for the cell to lie above the viscous sublayer.
+
The recommended y range for the high Reynolds number turbulence models is between 30 and 150.
+
There is no way to estimate the y values before running the solution so it is recommended to work from
+
past experience. Graphical output of the y values is available for all of the wall boundaries and should be
+ +
checked to make sure that the y values are within acceptable limits. If the calculated y is too large, then
the grid will need to be refined in those regions.
Grid Parameter R
For Large Eddy Simulations (LES), the grid parameter R is used to measure the resolution of the grid
based on length and time scales for turbulent flows (Avva and Sandaram, 1998). For LES, the grid size
should lie in the inertial range of scales, beyond the energetic but larger than the dissipation scales. To
obtain a suitable grid, first perform a steady RANS simulation using a suitable k-ε turbulence model and
output the R grid parameter:
127
where:
le = the energetic scales (k2/3 / ε)
ld = the dissipation scales (v3 / ε)1/4
An R value less than zero implies that the resolved scale is larger than the local, energy containing
scales, and R>1 implies that the resolved scales are smaller than the active viscous dissipation scales.
Therefore, an R grid parameter between 0 and 1 is needed to perform a satisfactory LES calculation.
Kolmogorov Microscales
The parameters Kolmogorov length scale (K_length), Kolmogorov time scale (K_time) and Kolmogorov
velocity scale (K_velocity) are indicative of the smallest eddies present in the flow.
Numerically these quantities are calculated as follows:
K_length =
K_time =
K_velocity =
Where is Kinematic Viscosity, and is Turbulent Dissipation rate.

These variables are obtained in CFD-VIEW on activation of grid parameter "R" in graphical output of
CFD-ACE+.
Model Setup and Solution
Turbulence Module
Implementation-Model Setup and Solution-Introduction
CFD-ACE+ provides the inputs required for the Turbulence Module. This section describes the settings
specific to the Flow Module. See CFD-ACE+ Overview for general model settings and basic operation.
• Problem Type
• Model Options
• Volume Conditions
• Boundary Conditions
• Initial Conditions
• Solver Control
• Output
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Modules
Turbulence Module
Implementation-Model Setup and Solution-Problem Type
details.
Select Turbulence to activate the Turbulence Module and the Flow Module. The Turbulence Module can
work in conjunction with any of the other flow related Modules (e.g., Mixing, Cavitation, etc.).
Model Options
Turbulence Module
Model Options-Introduction
Click the Model Options [MO] tab to see the Model Options Panel. See Control Panel-Model Options for
details. All of the model options for the Turbulence Module are located under the Turbulence tab. Along
with specifying the turbulence model, the method for calculating the Wall Functions must also be
specified.
Model Options Panel - Turbulence Tab
Turbulence Module
Model Options-Turbulence Model
Select a turbulence model from the pull-down menu. The options are described in the Turbulence-Theory
section and include:
• RNG k-ε Model
• Kato-Lauder k-ε Model
• k-ω Model
• k-ω SST Model
• Large Eddy Simulations - SGS Models
• Smagorinsky Model
• Germano's Dynamic Subgrid Scale Model
• Menon's Localized Dynamic Subgrid Scale Model
129
• Constant Turbulent Viscosity

• User Defined Turbulent Viscosity
• Turbulence in Porous Media
Turbulence Module
Model Options-Subgrid Scale (SGS) Models
CFD-ACE+ provides three Subgrid Scale (SGS) models for LES: Smagorinsky, Localized Dynamic, and
Dynamic (see SGS Models). To activate a model, select one from the SGS Model pull down menu.
Turbulence Tab - Large Eddy Simulation - SGS Model

The Smagorinsky SGS model requires two additional parameters: the model constant Cs0, and the
Vandriest Damping. The default for these constants are reasonable values for typical LES applications.
In order to activate one of the subgrid scale models (LES), the time dependence should be set to
Transient on the MO −> Shared tab.
Turbulence Module
Model Options-Turbulent Prandtl Number
If you activate the Heat Transfer Module, you can specify a turbulent Prandtl number. This models the
effect of turbulence on heat transfer through an effective conductivity:
(3-55)
Experiments have generally shown the value of σ t to range from about 1.0 near walls to values of 0.7 or
less as the distance from walls increases. The default value of 0.9 is a reasonable compromise between
these bounds.
Turbulence Module
Model Options-Turbulent Schmidt Number
When you activate the Chemistry Module, you can specify a turbulent Schmidt number. This models the
effect of turbulence on mass diffusion through an effective diffusivity:
(3-56)
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Modules
Turbulence Module
Volume Conditions
No volume condition inputs are required for the Turbulence Module.
Boundary Conditions
Turbulence Module
Boundary Conditions-Introduction
Boundary Condition Type for details. To assign boundary conditions and activate additional panel options,
The Turbulence Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface boundary
conditions. See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions or Arbitrary Interface
Boundary Conditions for details.
All of the general boundary conditions for the Turbulence Module are located under the Turbulence tab
and can be reached when the boundary condition setting mode is set to General. Each boundary
condition is assigned a type (e.g., Inlet, Outlet, Wall, etc.). The Turbulence Module Boundary Condition
section includes:
• Boundary Conditions-Inlets
• Boundary Conditions-Outlets
• Boundary Conditions-Turbulent Kinetic Energy
• Boundary Conditions-Random Inlets
• Boundary Conditions-Walls
• Boundary Conditions-Rotating Walls
• Boundary Conditions-Symmetry
• Boundary Conditions-Interfaces
• Boundary Conditions-Thin Walls
• Boundary Conditions-Cyclic
Turbulence Module
Boundary Conditions-Inlets
The Turbulence Module needs to know how to set the turbulence quantities at inlet boundaries. The
turbulence quantities that need to be specified for the turbulence models are:
Turbulence Quantity Model
Turbulent Kinetic Energy (K) k-ε or k-ω Models
Turbulent Dissipation Rate (D) k-ε or k-ω Models
Eddy Viscosity (Nu(t)) Spalart-Allmaras Model
SGS Turbulent Kinetic Energy (Ksgs) localized dynamic SGS
131
Turbulence Module
Boundary Conditions-Outlets
You can set values for turbulent kinetic energy (K) and turbulence dissipation rate (D) at flow outlets.
These values will only be used where there is inflow through the outlet boundary).
Turbulent Kinetic Energy
Turbulence Module
Boundary Conditions-Turbulent Kinetic Energy
Turbulent kinetic energy can be specified as:
• Constant
• Turbulence intensity (0~1)
• Profile X (input (x, k) data pairs)
• Profile Y (input (y, k) data pairs)
• Profile Z (input (z, k) data pairs)
• Profile 2D (input (x, y, z, k) data sets)
• Profile in time (input (t, k) data pairs)
• Profile from file (see user manual A-4 Profile BC file)
• Parametric (define a function from parametric input panel)
• User subroutine (see User Manual Chap. 11 for details)
Turbulent dissipation rate/Specific dissipation rate can be specified as:
• Constant
• Length scale
• Profile X (input (x, D) data pairs)
• Profile Y (input (y, D) data pairs)
• Profile Z (input (z, D) data pairs)
• Profile 2D (input (x, y, z, D) data sets)
• Profile in time (input (t, D) data pairs)
• Profile from file (see user manual A-4 Profile BC file)
• Parametric (define a function from parametric input panel)
• Hydraulic diameter
• User subroutine (see User Manual Chap. 11 for details)
Eddy viscosity can be specified as:
• Constant
Turbulence Module
Boundary Conditions-Turbulence Quantities Using Intensity
The turbulence intensity, I, is defined as the ratio of the root-mean-square of the fluctuation velocity, ,
to the mean flow velocity,
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Modules
The turbulence intensity generally ranges from 1% to 10%. That with turbulence intensity less than 1% is
considered as low turbulent flow and that with turbulence intensities greater than 10% are considered as
high turbulent flows.
The turbulence intensity at the core of a fully developed duct flow can be estimated as:
where is the Reynolds number.

Turbulence Module
Boundary Conditions-Estimating Turbulent Kinetic Energy from Turbulence Intensity
For boundaries and volumes (initialization) with turbulence intensity as the input option, the turbulent
kinetic energy can be estimated from:
Turbulence Module
Boundary Conditions-Turbulence Length, Scale, and Hydraulic Diameter
The turbulence length scale, , is a physical quantity related to the size of the large eddies that contain
the energy in turbulent flows.
In fully developed pipe or duct flow, is restricted by the size of the duct. A relationship between and
the hydraulic diameter L is:
= 0.03L
Guidelines for choosing hydraulic diameter L or turbulence scale :

(1) For fully developed internal flows, choose hydraulic diameter method and input the characteristic
length of the flow in/outs as hydraulic diameter.
(2) For wall-bounded flows in which the inlets involve boundary layer, choose turbulence length scale.
Set =0.4 , is the thickness of boundary layer.
Turbulence Module
Boundary Conditions-Turbulent Dissipation Rate
For boundaries and volumes (initialization) with turbulence length scale or hydraulic diameter as input
option, the dissipation rate, ε (or the specific rate of dissipation, ω) can be calculated as:
k-ε model
k-ω model
Turbulence Module
Boundary Conditions-Random Inlets
133
Under the BC/Turb Tab, select the Random Inlet check box to specify a Gaussian or time correlated
randomization of the inlet velocity components.
Boundary Condition - Turbulence Tab - Gaussian Random Option

Both the Gaussian and time correlated options randomly perturb the mean inlet velocity components over
the surface of the inlet boundary using a Gaussian profile of the root mean squared (RMS) turbulent
intensities at each time step. The time correlated option further specifies that the perturbation is
correlated over a length of time.
Turbulence Module
Boundary Conditions-Walls
Wall-Roughness boundary condition has been implemented in the ACE+ code. The new feature allows
one to account for sand-grain roughness when the standard wall-function approximation is used.
Formulation
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Modules
Roughness will increase the drag over that on a hydraulically smooth surface. This increase is reflected
in the downward shift of the velocity profile presented in coordinates, as is demonstrated in

Schlichting's Boundary Layer Theory. Therefore, the logarithmic law for velocity distribution
(1)
which forms the basis of the Wall-Function approach is no longer valid in the presence of roughness.
However, presented in , rather than , the log-law is still valid in form for complete sand
roughness,
(2)
here is the roughness height and is an empirical constant of 30.0. The above equation has been
widely used as the basis for roughness wall-function.
In order to generalize our standard wall-function approach in ACE+, equation 2 has been recast into the
following form:
(3)
Clearly, when the roughness equation reverts to the one for a smooth surface
(equation 1). At this level of , the size of the roughness is so small that all protrusions are contained
within the laminar sub-layer. The surface is regarded as hydraulically smooth. (In fact, Nikuradse's
experiments show that when is less than 5, roughened pipes have the same resistance as smooth
pipe.) In implementing equation 3 in the ACE+ code, the effect of roughness comes into play by setting
the coefficient to in the existing wall-function method. In so doing, is evaluated through
equation 2, and it is set to once it falls below this value for reasons discussed above.
Turbulence Module
Boundary Conditions-Rotating Walls
Rotating walls, just like plain walls, can have a roughness height (RH) value assigned.
Turbulence Module
Boundary Conditions-Symmetry
The symmetry boundary condition is a zero-gradient condition. There are no Turbulence Module related
values for symmetry boundary conditions.
Turbulence Module
Boundary Conditions-Interfaces
The interface boundary condition is used to allow two computational domains to communicate
information. There are no Turbulence Module related values for interface boundary conditions.
135
Interface boundary conditions can be converted to thin walls. See Thin-Wall Boundary Conditions and
Arbitrary Interface Boundary Conditions for details on other ways for computational domains to
communicate.
Turbulence Module
Boundary Conditions-Thin Walls
The Thin Wall boundary condition is fully supported by the Turbulence Module. See Thin-Wall Boundary
Conditions for instructions on how to setup a thin wall boundary condition. The Turbulence Module treats
a thin wall boundary condition the same as a Wall boundary condition. See Boundary Conditions-Walls.
Under the Turbulence tab, there are inputs available for roughness height specification. This roughness
height will be applied to both sides of the thin wall boundary condition.
Turbulence Module
Boundary Conditions-Cyclic
The Cyclic boundary condition is fully supported by the Turbulence Module. See Cyclic Boundary
Conditions for instructions on how to setup a Cyclic boundary condition. There are no Turbulence Module
related settings for the Cyclic boundary condition.
Turbulence Module
Implementation-Model Setup and Solution-Initial Conditions
for details.
file. If constant values are specified, you must provide initial turbulence values. The values can be found
under the Turbulence (Turb) tab and the following variables must be set:
• Turbulent Kinetic Energy (K)
• Turbulent Dissipation Rate (D)
• Eddy Viscosity (Nu(t)) for the Spalart Allmaras Model
• RMS u', v', w' turbulent intensities for random initial conditions and LES
If a previous solution is used for restart and a random perturbation is desired, select the restart from
RANS checkbox. This will use the kinetic energy from the RANS calculation to perturb the velocity field.
Although, for a steady state problem, the Initial Condition values do not affect the final solution,
reasonable values should be specified so that the solution does not have convergence problems at start-
up.
Because the turbulence values produce an effective viscosity, and increased viscosity can make the
solution more stable, sometimes it is useful to set somewhat larger values of K (or smaller values of D) to
increase the initial effective viscosity field.
Model Setup and Solution-Solver Control
Turbulence Module
Solver Control-Introduction
Click the Solver Control [SC] tab to see the Solver Control Panel. See Control Panel-Solver Controls for
details.
The Solver Control page allows access to the various settings that control the numerical aspects of the
CFD-ACE-Solver as well as all of the output options. The Solver Control section includes
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Modules
• Solver Control-Output for LES

• Solver Control-Spatial Differencing Scheme
• Solver Control-Solver Selection
• Solver Control-Under Relaxation Parameters
• Solver Control-Variable Limits
• Solver Control-Advanced Settings
Turbulence Module
Solver Control-Output for LES
Running Averages of the flowfield variables can be computed by setting the Start Timestep in the Large
Eddy Simulation (Averaging) output panel.
The Save LES Statistics option saves the running average variables for restart purposes. Only the
variables that are checked for Graphical Output will be saved. For continuation of the averaging process
from restart data the corresponding option must be checked under the Previous solution menu from IC
Sources.
Turbulence Module
Solver Control-Spatial Differencing Scheme
Under the Spatial Differencing tab, select the differencing method to be used for the convective terms in
the equations. Activating the Turbulence Module enables you to set turbulence equations. The default
method is first order Upwind. We recommend to always use the first order Upwind method for the
turbulence equations as the higher order schemes can produce convergence problems and do not
increase the solution accuracy significantly. See Spatial Differencing Scheme for more information on the
different differencing schemes available. See Numerical Methods-Central Differencing Schemes for
numerical details of the differencing schemes.
Turbulence Module
Solver Control-Solver Selection
the Turbulence Module enables you to set turbulence equations. The default linear equation solver is the
conjugate gradient squared + preconditioning (CGS+Pre) solver with 50 sweeps. The default
convergence criteria is 0.0001. See Solver Selection for more information on the different linear equation
solvers available. See Linear Equation Solvers for numerical details of the linear equation solvers.
Turbulence Module
Solver Control-Under Relaxation Parameters
Under the Relaxation tab, select the amount of under-relaxation to be applied for each of the dependent
(solved) and auxiliary variables used for the flow equations. Activating the Turbulence Module enables
you to set turbulence variables, as well as the auxiliary variable, viscosity. See Under Relaxation
Parameters for details on the mechanics of setting the under relaxation values. See Numerical Methods-
Under Relaxation for numerical details of how under-relaxation is applied.
The turbulence equations use an inertial under relaxation scheme and the default values are 0.2.
Increasing this value applies more under relaxation and therefore adds stability to the solution at the cost
The calculation of viscosity uses a linear under relaxation scheme and the default values are 1.0.
Decreasing this value applies more under relaxation and therefore adds stability to the solution at the cost
137
Turbulence Startup Control
Turbulent flow simulations can sometimes exhibit diverging behavior at the beginning of a calculation.
The Turbulent Start Control feature provides a method of constraining the change of turbulent viscosity at
the start of a simulation with the aim of eliminating the divergence. Inputs for the control appear when the
check box is selected and are shown below
Turbulence Start Control Inputs

The initial turbulent viscosity that will be used will be calculated from the Viscosity Ratio input and will be
equal to the Viscosity ratio times the molecular viscosity. This is contrasted to the normal calculation of
the initial turbulent viscosity from the initial values of the turbulence quantities. The default value of 1000
will usually have a reasonably stabilizing effect on the calculations.
The Initial Iterations input is the number of iterations after startup for which the viscosity will be held
constant at the initial value.
The Transition Iterations input is the number of iterations over which to linearly transition from an
unchanging turbulent viscosity field (linear under-relaxation of 0.0) to a viscosity field under-relaxed at the
previously specified value of linear under-relaxation.
Turbulence Module
Solver Control-Variable Limits
Under the Limits tab, set the minimum and maximum allowed variable values. CFD-ACE+ will ensure that
the value of any given variable will always remain within these limits by clamping the value. Activating the
Turbulence Module enables you to set limits for K, D, and Viscosity variables. See Variable Limits for
details on how limits are applied.
The default limits should be used. For the Turbulence Module however, it has been found that applying a
maximum limit on viscosity can sometimes help to get through some convergence problems. Ensure that
you check the solution to verify that the final solution is not constrained by the imposed limit (which could
produce un-physical results).
Turbulence Module
Solver Control-Advanced Settings
In CFD-ACE+, by default, inertial under-relaxation of dependent variables is used to constrain the change
in the variable from one iteration to the next in order to prevent divergence of the solution procedure.
SC-->Adv and checking the appropriate check boxes for each module.
The relaxation factor defined in SC-->Relax is used as the CFL multiplier. A general rule of thumb would
be the inverse value of usual inertial relaxation factor.
Effect of Value:
138
Modules
Model Setup and Solution-Output
Turbulence Module
Output-Introduction
Click the Out tab to see the Output settings in the Control Panel. The output section includes:
• Summary Output
• Graphical Output
• LES Output
Turbulence Module
Output-Summary Output
There are no summary outputs available for the Turbulence Module.
Turbulence Module
Output-Graphical Output
Under the Graphics tab, you can select the variables to output to the graphics file (modelname.DTF).
These variables will then be available for visualization and analysis in CFD-VIEW. Activation of the
Turbulence Module allows output of the variables listed:
Turbulence Module Related Graphical Output
Variable Units
2 2
Turbulent Kinetic Energy m /s
2 3
Turbulent Dissipation Rate m /s
Turbulent Viscosity kg/m-s
2
Eddy Viscosity m /s
Effective Viscosity (sum of turbulent

kg/m-s
and laminar viscosity)
Y+ (only output at walls) -
139
Turbulence Module
Output-LES Output
The output variables available for LES are listed in the table.
LES Module Graphical Output
Variable Units Model*
Turbulent Intensities m/s S,D,LD
Y+ - S,D,LD
2
Eddy Viscosity m /s S,D,LD
Strain Invariant 1/s S,D,LD
Vorticity 1/s S,D,LD
Dynamic Coefficient - D
Ctau - LD
Ceps - LD
2 2
SGS Kinetic Energy m /s LD
SGS Dissipation Rate m2/s3 LD
2 2
Test Filter Kinetic Energy m /s LD
m/s S,D,LD
*
S - Smagorinsky
D - Dynamic
LD - Localized Dynamic
Turbulence Module
Implementation-Post Processing
140
Modules
CFD-VIEW can post-process the turbulence solutions. Two important quantities that need to be looked at
+
in the graphical output are the level of turbulent kinetic energy (or turbulent viscosity) and y . Turbulence
levels are high in regions where the rate of strain is high, such as near-wall regions and regions of flow
+
re-circulation and stagnation. The values of y at the walls is good indication of the level of grid refinement
near the wall. A complete list of post processing variables available as a result of using the Turbulence
Module is shown in the table below.
2 3
Dissipation Rate(k−ω model) m /s
D
Specific rate of dissipation (k−ω model) s-1
2 2
K Kinetic energy m /s
2
ED_VIS Eddy Viscosity (Spalart-Allmaras model) m /s
VIS_T Turbulent Viscosity kg/m-s
YPLUS Yplus values -
Turbulence Module Frequently Asked Questions

Which turbulence model should I choose?
This really depends upon your need. If you just want to consider the overall effect of turbulence on the
mean flow field, rather than some fine details, you may choose one of the high Reynolds Number models
that are more robust and cost-effective. In this case, the standard k-ε model can be chosen for most
problems. If there is separation or strong recirculation (such as with flow around a bluff body), the RNG or
RKE models are better choices. For flows with strong stagnation the Kato-Launder model becomes the
better choice. On the other hand, If your are interested in fine details such as heat transfer coefficients or
viscous wall friction, you should choose one of the low Reynolds Number turbulence models.
How do I activate the RKE Model and what are the usage guidelines for this model
If the RKE Model is chosen, then by its formulation, it must always be used with appropriate wall
functions, such that the y+ value is no less than 11.5, and preferably closer to 30, 60, or 80, and with the
same guidelines and limitations that apply for any High Reynolds Number k-ε model.
The RKE model can be activated from the GUI as a separate new turbulence model, and the chosen wall
function can also be selected from the GUI just as it would be for all other turbulence models that require
a wall function. The wall functions that can be chosen for the RKE model are currently the following: (i)
the Standard Wall Function; (ii) the Two-Layer Wall Function; and (iii) the Non-Equilibrium Model.
If the RKE model is activated in conjunction with the multiple reference frame (MRF) capability, then an
additional switch button appears to enable the user to switch the MRF either "on" or "off" for each wall
patch, to either turn on the MRF capability for the RKE model or to turn it off, respectively, for that wall
patch (with "on" signifying rotation, and "off" signifying no rotation).
The RKE Model runs in parallel mode, and with all the other modules that are currently coupled with the
turbulence module.
How do I specify initial turbulent quantities?
For steady-state simulations, the initial conditions will not affect the final solutions. But they may affect
numerical stability. It has been found that a low level of turbulence intensity helps convergence.
Generally, you may set turbulent kinetic energy, k, to be one percent of the initial or inlet mean kinetic
141
energy. Then you may specify a value for ε for which the calculated turbulent viscosity is about 20 times
the laminar viscosity. For transient calculations, since the initial conditions will affect the final results,
ideally you should specify values for turbulence quantities based on experimental data whenever they are
available. If they are not available, you may follow the above suggestions for steady-state simulations.
How do I specify turbulence quantities at inlet boundaries?
For simulations or regions where convective transport is considerably greater than turbulence production
(usually occur in the absence of strong mean flow velocity gradients) it is the inlet conditions of turbulent
quantities that determine the overall level of turbulent viscosity. Again, you may follow instructions as
given for the initial conditions.
How do I specify turbulent quantities at outlet boundaries?
When flow goes out at the outlet, zero-gradient boundary conditions are used for the turbulence
quantities. Only when flow comes back into the computational domain are the boundary values of
turbulence quantities used. Specification of boundary values may also follow the above suggestions for
the inlet BCs.
Turbulence Module Examples
The following tutorials use the Turbulence and Flow Modules exclusively:
• Tutorial 2, Turbulent Flow Past a Backward Facing Step in Tutorial Manual, Volume II.
The following tutorials use the Turbulence and Flow Modules in conjunction with one or more other
Modules:
• Tutorial 7, Turbulent Mixing of Propane and Air in Tutorial Manual, Volume II, (with and without
reactions).
Turbulence Module References
Avva, R.K., and Sundaram, S., "Numerical Simulation of Surface Pressure Fluctuations in Complex
Geometries." CFDRC SBIR Phase II Final Report, Navy Contract N000114-98-CO416, CFDRC
Report No. 480316, 1995.
Chen, H. C., and V. C. Patel., "Near-Wall Turbulence Models for Complex Flows Including Separation."
AIAA Journal 26.6 (1988): 41-648.
Chien K.Y., "Prediction of Channel and Boundary-Layer Flows with a Low Reynolds Number Turbulence
Model." AIAA Journal 20.1(1982): 33-38.
Ciofalo, M., and Collins, M.W., "k-ε Predictions of Heat Transfer in Turbulent Recirculating Flows Using
an Improved Wall Treatment.” Numer. Heat Transfer 15(1989): 21-47.
Germano, M., (1992), "Turbulence: The Filtering Approach." J. Fluid Mechanics 238, pp. 325-336.
Givi, P., (1989), "Model Free Simulations of Turbulent Reactive Flows." Prog. Energy Combust. Sci., 15,
pp. 1-107.
Gutmark E and Wygnanski I. The planar turbulent jet, Journal of Fluid Mechanics, 73(3), 465-495, 1976.
Hellsten, A., "Extension of the k-ω-SST turbulence model for flows over rough surface.” AIAA-97-3577.
Kim, W., and Menon, S., (1997), "Application of the Localized Dynamic Subgrid Scale Model to Turbulent
Wall-Bounded Flows." AIAA paper 97-0210.
Launder, B.E., and Spaulding, D.B., "The Numerical Computation of Turbulent Flows.” Comp. Methods
for Appl. Mech. Eng. 3(1974): 269-289.
Lilly, D.K., (1992), "A Proposed Modification of the Germano Subgrid Scale Closure Method." Phys.Fluids
4, pp. 633-634.
Menter., F.R., "Zonal two equation k-ω turbulence models for aerodynamic flows." AIAA-93-2906.
Smagorinsky, J., (1963), "General Circulation Experiments with the Primitive Equations, I. The Basic
Experiment." Monthly Weather Review 91, pp. 99-96.
142
Modules
Spalart, P.R., and Allmaras, S.R., "A One-Equation Model for Aerodynamic Flows.” AIAA Journal 92:439.
Turbulent Mixing of Propane and Air, CFD-ACE Tutorial, ESI-CFD, Inc, AL, 2009.
T.-H. Shih, W. W. Liou, A. Shabbir, Z. Yang, and J. Zhu. A New k-ε Eddy-Viscosity Model for High
Reynolds Number Turbulent Flows - Model Development and Validation, Computers and Fluids,
24(3): 227-238, 1995.
W. C. Reynolds. Fundamentals of turbulence for turbulence modeling and simulation, Lecture Notes for
Von Karman Institute Agard Report Number 755, 1987.
Wilcox, David C., Turbulence Modeling for CFD, La Canada, California, DCW Industries, 1993.
Yakhot, V., Orszag, S.A., Thangam, S., Speziale, C.G., Gatski, T.B., "Development of Turbulence
Models for Shear Flows by a Double Expansion Technique.” Phys. Fluids A 4.7 (1992): 1510-1520.
Yakhot, V., and Orszag, S.A., "Renormalization Group Analysis of Turbulence.” J. Sci. Compute.
1.1(1986) 3-51.
Chemistry Module
Chemistry Module Introduction

The Chemistry Module enables you to solve mixing and reacting flow problems. Activating the Chemistry
Module implies the solution of the mixture or species mass fractions, (the latter requiring solution of
additional mass transport equations). If you activate liquid chemistry, instead of solving transport
equations for mass fractions, transport equations for molar concentration are solved. You can use the
Chemistry module to study systems where both surface and gas-phase reactions occur. Reactions
involving charged species (encountered in plasma reactors) can also be studied. You can also use it to
study electrochemistry problems such as fuel cells of those involving charged particle species transport in
the liquid phase. (See Applications: Electrochemistry for details.) The Chemistry Module includes:
• Chemistry-Applications
• Chemistry-Features
• Chemistry-Theory
• Chemistry-Turbulence-Combustion Interaction
• Chemistry-Limitations
• Chemistry-Implementation
• Chemistry-Frequently Asked Questions
• Chemistry-Examples
• Chemistry-References
Chemistry-Applications
Chemistry Module
Applications-Introduction
Mixing and reacting flows are encountered in a wide variety of applications such as combustors, chemical
and plasma reactors, and gas-turbines. A detailed model of the velocity and temperature field and
species concentrations can greatly aid the design, optimization, and control of these systems. You can
use the Chemistry Module:
• To study processes such as deposition and etching that are vital in semiconductor processing
applications.
• For mixing-only cases and gas-phase and/or surface reactions prescribed within the volumes
and/or at surfaces.
143
• With other CFD-ACE+ modules to study multi-physics problems.

The Chemistry Applications section includes:
• Applications-Mixing Only
• Applications-Mixing with Gas Phase Reactions
• Applications-Mixing with Surface Reactions
• Applications-Multi-Physics Applications
Chemistry Module
Applications-Mixing Only
The Chemistry Module simulates mixing two or more inert species or mixtures. The spatial and temporal
variation of the species concentrations can be obtained using the Chemistry Module.
Chemistry Module
Applications-Mixing with Gas Phase Reactions
You can use the Chemistry Module to study systems involving chemical reactions. Two examples are
combustion problems and semiconductor process chamber simulations. A transport equation is solved for
each mixture or species with a source term representing the net rate of production or depletion of the
mixture or species. The reactions can take the form of instantaneous, equilibrium, or finite-rate
mechanisms. For combustion problems, several reduced mechanisms are available.
For combustion problems several reduced mechanisms are available. See the Database Manager.
Chemistry Module
Applications-Mixing with Surface Reactions
Use the Chemistry Module to model surface reactions occurring in chemical vapor deposition (CVD)
systems.
Chemistry Module
Applications-Multi-Physics Applications
The Chemistry Module is often used with (and is required by) many of the other modules in CFD-ACE+ to
perform multi-physics analyses. Some of the more commonly added modules are listed below. Examples
of these types of applications are given in each Module’s chapter.
• Flow
• Turbulence
• Heat Transfer (with or without radiation)
• User Defined Scalars
• Spray
• Plasma
• VOF
• Electric
Chemistry-Features
Chemistry Module
Features Introduction
The Chemistry Module has many inherent features which may or may not be activated for any given
simulation. The Features section includes:
144
Modules
• Features-Solution Approach
• Features-Mass Diffusion Options
• Features-Gas Phase Reactions
• Features-Surface Reactions
• Features-Coupled Solver
• Features-Unsteady Combustion
Chemistry Module
Features-Solution Approach
The Chemistry module has two solution approach options: Mixture Mass Fractions and Species Mass
Fractions. Each approach has its advantages and disadvantages and they are briefly described below.
Mixture Mass Fractions
The Mixture Mass Fraction approach requires a solution of fewer transport equations than the Species
Mass Fraction option. However, some models and fluid property options are not available for the Mixture
Mass Fraction approach. The Mixture Mass Fraction approach is usually used for pure mixing problems
and combustion reaction problems involving reactions which are either in equilibrium, very fast
(instantaneous), or can be modeled with a single global finite-rate reaction step. Diffusivity of individual
species is not accounted for with this option since all mixtures are considered to have the same valve.
The mixture mass fraction approach can be used to model turbulence/chemistry interaction through either
eddy-breakup or assumed pdf methods. Models for CO oxidation and NOx production are also available.
Species Mass Fractions
The Species Mass Fraction approach is the most general approach and encompasses all problems that
can be solved using the Mixture Fraction approach except for models that include turbulence/chemistry
interaction. The Species Mass Fraction approach requires the solution of a transport equation for every
species in the system. This approach is required for:
• Multi-component diffusion problems
• Surface reaction problems
• A multi-step finite rate gas-phase reaction
Chemistry Module
Features-Mass Diffusion Options
There are two options available for mass diffusion: constant Schmidt number and multi-component
diffusion. The multi-component diffusion model is only available when the Species Mass Fraction solution
approach has been selected.
Species Conservation Options: When species diffuse at different rates, their mass fractions do not
automatically add up to unity, and some corrections have to be invoked to guarantee species
conservation. The following options are available:
• None: no corrections are invoked, and species mass fractions may not add up to unity. This
option is equivalent to not invoking conservation at all.
• Reference Specie: If mass fractions do not add up to unity, the mass fraction of the reference
species is adjusted to enforce conservation.
• Stefan-Maxwell: Species conservation is enforced by employing the Stefan-Maxwell equations.
This is the most rigorous of all the approaches, but is computationally more expensive.
145
Features-Gas Phase Reactions
Chemistry Module
Features-Gas Phase Reactions-Introduction
The Chemistry Module contains the following gas phase reaction models:
• Instantaneous Reaction Model (for Mixture Mass Fraction approach)
• Equilibrium Reaction Model (for Mixture Mass Fraction approach)
• Finite-Rate Model (for Mixture Mass Fraction approach)
• Finite-Rate Model (for Species Mass Fraction approach)
• Eddy Breakup Model
• Prescribed PDF Model
All of these gas phase reaction mechanisms are setup using the Reaction Manager. See the Database
Manager for details.
Chemistry Module
Features-Gas Phase Reactions-Instantaneous Reaction Model
The Instantaneous Reaction Model assumes that a single chemical reaction occurs and that it proceeds
instantaneously to completion. You can only use this model if the Mixture Mass Fraction solution
approach has been selected. The mixture fraction assumed PDF model may be used with an
instantaneous reaction.
Chemistry Module
Features-Gas Phase Reactions-Equilibrium Reaction Model
The Equilibrium Reaction Model (Pratt and Wormeck, 1976) assumes that chemical reactions are so fast
that the mixture is in chemical equilibrium. The main difference between this model and the instantaneous
model is that the user does not have to specify a stoichiometrically balanced reaction. The composition
(stoichiometry) is determined by minimizing the Gibbs energy of the system. You can only use this model
if the Mixture Mass Fraction solution approach has been selected.
Chemistry Module
Features-Gas Phase Reactions-Finite-Rate Model (for Mixture Solution)
The Finite-Rate Model (for mixture mass fraction approach) enables you to specify a single reaction step
which proceeds at a finite-rate. This model is restricted to two reactant species. The primary difference
between this finite-rate model and the instantaneous model is that the mass fraction of fuel is calculated
by solution of a transport equation with a source term due to chemical reaction for the finite-rate model.
The mass fractions of the other species are calculated from the mixture fractions and the mass fraction of
fuel. This model can only be used if the Mixture Mass Fraction solution approach has been selected.
Turbulence/chemistry interaction can be accounted for using either the eddy breakup or assumed PDF
models discussed below.
If a multi-step reaction is desired then the Species Mass Fraction approach must be used and hence the
Finite-Rate Model for Species Solution is appropriate.
Chemistry Module
Features-Gas Phase Reactions-Finite-Rate Model (for Species Solution)
146
Modules
The Finite-Rate Model (for Species Mass Fraction approach) enables you to specify any number of
reaction steps which each proceed at a finite-rate. This model does not have any restrictions on the
number of reactant species and third-body effects can also be included. For plasma reactions, an
electron-induced reactions can be specified. This model can only be used if the Species Mass Fraction
solution approach has been selected.
Two options are available to specify the type of finite rate reactions. If the Mass Fraction option is
selected, the law of mass action is used to compute the reaction rates. The backward rate (if specified) is
calculated by assuming equilibrium. The reactant and product exponents are equal to their stoichiometric
coefficients. If you select the General Rate option, the law of mass action is not used, and the reactant
and product exponents can be arbitrary. If you specify backward reaction, the backward reaction rate can
be computed using prescribed values, or by using equilibrium.
Chemistry Module
Features-Gas Phase Reactions-Eddy Breakup Model
You can use the eddy breakup model for turbulence-combustion interaction for turbulent flows, with any
of the k-ε turbulence models, and with the mass fraction finite-rate reaction model. This model limits the
reaction rate where turbulent mixing controls the mixing of segregated reactant species or of premixed
reactants and hot products.
Chemistry Module
Features-Gas Phase Reactions-Prescribed PDF Model
The equations solved by CFD-ACE+ for turbulent reacting flows are transport equations for density-
weighted mean values. However, auxiliary variables such as density and temperature are really nonlinear
functions of the composition. These variables can be calculated more accurately by integrating the
product of the variable of interest and the density-weighted joint composition probability density function
(PDF) over the range of composition values. The source terms for finite-rate reactions are highly
nonlinear and should be calculated similarly. The shape of a PDF for the mixture fraction can be
prescribed (assumed) in CFD-ACE+ to model turbulent combustion when separate fuel and air (oxidizer)
mixtures are defined.
Chemistry Module
Features-Surface Reactions
The surface reaction models allow the calculation of deposition, etching, or catalytic reactions at surfaces
and hence can model systems where these processes are of importance.
All surface reactions can be specified using a multi-step finite-rate reaction mechanism. The reaction
rates of individual steps can be computed either by using the sticking coefficient model, or by using a
general finite-rate expression. In CFD-ACE+, steps involving these two approaches can be mixed.
Reaction mechanisms involving surface-adsorbed species and site coverages can be modeled using this
feature. For problems involving plasma (i.e., when the plasma module is turned on), it is also possible to
model neutralization of charged species on the walls, in conjunction with regular neutral species
reactions.
All of the surface reaction mechanisms are setup using the Surface Reaction Manager. See Database
Manager-Surface Reaction for details.
Chemistry Module
Features-Coupled Solver
In multi-step finite rate reactions, it is possible that one of the reaction steps proceeds at a rate that is
orders of magnitude higher than the other reactions. The numerical solution of the system of equations
describing the time-evolution of the various species is fraught with difficulties. A system of differential
equations with widely varying time constants is called stiff. The Chemistry module can handle both stiff
147
and non-stiff systems. Select the Coupled Solver option if the reaction set under consideration has some
fast transients.
When the Coupled Solver is turned on, the transport equations for all the species are solved in a coupled
manner, rather than in a segregated manner. The convergence is generally slower but more stable. It is
suitable for all types of chemistry, not just surface chemistry. There is no relaxation associated with the
coupled solver.
Chemistry Module
Features-Unsteady Combustion
For unsteady reactive flow simulations a few methodologies specific to combustion problems are
available to either accelerate the calculations or to increase the accuracy level of the results. In the case
of complex reaction mechanisms the Laminar Chemistry Operator Splitting option allows for the usage of
the In Situ Adaptive Tabulation (ISAT) method and/or the Staggered Chemistry solution approach to
considerably expedite the numerical simulation.
For Large Eddy Simulation, an accurate subgrid chemistry closure (the Linear Eddy Model) is available
along with the ISAT and Staggered Chemistry options.
Chemistry-Theory
Chemistry Module
Theory Introduction
The Chemistry Module enables you to model mixing and reacting flow systems. The Chemistry Module
Theory section includes:
• Theory-Basic Definitions And Relations
• Theory-Gas Phase Reaction Models
• Theory-Surface Reaction Models
Chemistry-Theory-Definitions And Relations
Chemistry Module
Theory-Definitions and Relations-Introduction
Calculation of reactive flow requires the consideration of both stoichiometry and reaction kinetics.
Stoichiometry is the description of the conservation of mass and elements. Reaction kinetics is the
description of the individual steps that make up a chemically reacting system and the specification of the
rates at which those steps progress.
A distinction will be made between elementary and global reactions. A global reaction is one such as:
CH4 + 2 O2 ∅ CO2 + 2 H2O (4-1)
which is correct in the stoichiometric sense, because all elements are conserved. This global step does
not describe the true path of methane combustion, which is made up of many elementary reaction steps:
CH4 + H × CH3+ H2 (4-2)
Elementary reactions describe the intermediate steps in a chemical reaction, which are representative of
actual collisions between molecules.
The Definitions and Relations section includes:
• Theory-Definitions and Relations-Composition Variables
• Theory-Definitions and Relations-Chemical Rate Expressions
148
Modules
• Theory-Definitions and Relations-Mixture Fractions
Chemistry Module
Theory-Definitions and Relations-Composition Variables
Several different composition variables are used for flow with mixing or reaction. The mass fraction of
th
species i in a multi-component system, Y i , is defined as the mass of the i species per unit mass of the
th
mixture. Similarly, the mole fraction x i is defined as the number of moles of the i species per mole of the
th
mixture. The mole and mass fractions are related to each other by the molecular weight of the i species,
M i , and the mixture molecular weight, M.
(4-3)
The mixture molecular weight is given by:
(4-4)
th
The molar concentration of species i, c i , is defined as the number of moles of the i species per unit
volume. It is related to Y i as:
(4-5)
where ρ, the mixture density, is computed from the equation of state.

-3
The number density (#/m ) of a species i, is obtained by multiplying the molar concentration with
23
Avogadro’s number (6.023x10 1/mol). The number of moles of species i per unit mass, n i , is defined as:
(4-6)
and is a useful quantity in converting concentration units, as can be seen by examining equations 4-3
through 4-5. The partial pressure of species i in a mixture of gases is defined as:
(4-7)
Chemistry Module
Theory-Definitions and Relations-Chemical Rate Expressions
A system of N rxn chemical reactions involving N sp species can be expressed in a general notation by:
149
(4-8)
where Λ i is the chemical symbol for species i, v' ij and v'' ij are the forward and reverse stoichiometric
th th
coefficients for the i species in the j reaction. Equation 4-8 can be written more compactly as:
(4-9)
where v ij = v'' i -v' ij . The chemical reaction must be balanced (i.e., the total number of atoms of each
element must be the same on both sides of equation 4-8). The stoichiometric coefficients are integers for
elementary reactions and are normally 0, 1, or 2. Elementary reactions usually involve no more than four
species, so the array of stoichiometric coefficients is sparse.
The nomenclature given above is illustrated in the following example. A system containing the species
H 2 , H 2 O, CO, CO 2 , O 2 , and N 2 may have the following reactions:
CO + H 2 O = CO 2 + H 2
2 H2 + O2 = 2 H2O
For this system the stoichiometric coefficients for the above reactions are:
The molar production rate of species i due to chemical reaction is
(4-10)
150
Modules
th
The rate-of-progress variable for the j reaction, q j , can be generally expressed as:
(4-11)
where:
are temperature-dependent forward and

and
reverse rate coefficients
and are constants
For elementary reactions which obey the mass action law:
= and
= ,
where:
and are the stoichiometric coefficients defined in equation 4-8.
The concentration exponents in equation 4-11 are not necessarily related to the stoichiometric
coefficients for global reactions.
The rate coefficients are assumed to have an Arrhenius form:
(4-12)
where:
A = pre-exponential constant
n = temperature exponent
E a /R = activation temperature
m = exponent on pressure dependency
where A, n and E a /R are constants for each reaction. (The subscript j has been deleted for clarity.) The
units of the reaction rate given by equation 4-11 are (moles/volume/time). The units of A, therefore,
depend on the exponents of the molar concentrations in equation 4-11. Note that units for concentration
3 3
reported in the literature are typically g-moles/cm , while the units used in CFD-ACE+ are kg-moles/m . In
other words, for a simple reaction of the form:
151
(4-13)
the rate of the reaction is expressed as:
(4-14)
where:
is expressed in
3
kmoles/m s
The units on A p are dependent upon α, β, and n as shown below:
units of
= (4-15)
Ap
The reverse rate coefficient can be obtained from the equilibrium constant, K c , for reactions obeying the
law of mass action:
(4-16)
The equilibrium constant (actually a function of temperature) can be calculated from thermodynamic data:
(4-17)
where:
p0 = reference pressure of one atmosphere

= Gibbs free energy of species i at one atmosphere.
Elementary reactions are sometimes written with a third body, usually designated with the symbol M, and
can be any species. For example:
H + O 2 + M = HO 2 + M
The rate-of-progress variable for these reactions is:
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(4-18)
\where:
= Third body efficiency
= Order for third-body
Chemistry Module
Theory-Definitions and Relations-Mixture Fractions
Flows with mixing or reaction can be calculated by solving transport equations for the mass fraction of all
(or all but one) species. The number of variables needed to calculate the flow can be reduced, in certain
cases, by introducing variables referred to as mixture fractions. A mixture is defined as a combination of
species with a fixed composition. For example, a mixture designated air may have a composition of
23.2% O 2 and 76.8% N 2 by mass whereas a mixture designated fuel may have a composition of 100%
CH 4 .
Each mixture in CFD-ACE+ is tracked with a mixture fraction variable, which is governed by the general
transport equation
(4-19)
th
In the preceding equation f k represents the mixture fraction for the k mixture. Note that this equation
contains no source terms due to chemical reaction. The only source term is due to the evaporation of
spray droplets. The diffusion coefficient (Γ) is the same for all mixture fractions.
Mixture fractions are normally associated with one or more inlet boundaries and normalized such that the
value is 1 for the boundaries associated with that mixture and 0 for other boundaries. A mixture fraction is
also associated with the evaporating spray droplets. With this convention, the sum of mixture fractions
over all defined mixtures is unity. Since the mixture fractions sum to unity, K - 1 mixture fraction equations
will have to be solved when K mixtures are defined.
Equation 4-19 is linear in f k and, therefore, also applies to linear combinations of the mixture fractions.
The overall continuity equation is recovered by summing equation 4-19 over all mixtures. Let ξ ik denote
th th
the mass fraction of the i species in the k mixture. It is easily shown that when equation 4-19 is
multiplied by ξ ik for each mixture fraction and summed over all mixture fractions, the following equation is
obtained.
(4-20)
153
where:
(4-21)
This is the transport equation for the mass fraction of a non-reacting species, showing that composition
can be calculated from the mixture fractions using equation 4-21 when the diffusion coefficients of all
species are equal. The boundary conditions for the mixture fractions are defined such that the boundary
conditions for the mass fractions are satisfied by equation 4-21 as well. The effect of mass diffusivity
differences among different species is negligible in most turbulent flows at moderate to high Reynolds
numbers (convection-driven flows). The use of mixture fractions normally reduces the number of variables
to be solved because the number of mixtures is usually less than the number of species.
Mixture fractions are also used with certain reaction models to calculate the composition of reacting flows.
Chemistry-Theory-Gas Phase Reaction Models
Chemistry Module
Theory-Gas Phase Reaction Models-Introduction
The following gas phase reaction models are available:

• Instantaneous Chemistry Model (for Mixture Mass Fraction approach)
• Equilibrium Model (for Mixture Mass Fraction approach)
• Finite-Rate Model (for Mixture Mass Fraction approach)
• Finite-Rate Model (for Species Mass Fraction approach)
Chemistry Module
Theory-Gas Phase Reaction Models-Instantaneous Chemistry Model
In the instantaneous chemistry model, the reactants (species on the left-hand side of equation 4-8) are
assumed to react completely upon contact. The reaction rate is infinitely rapid and the reactants cannot
exist at the same location. The following discussion will be limited to the case of two reactants, which are
commonly referred to as fuel and oxidizer, and one reaction step. A surface (flame sheet) separates the
two reactants. The rate of reaction is controlled by the rate at which reactants are transported to this
surface.
The mass fractions of all species are only functions of the mixture fractions. The mass fractions for the
instantaneous chemistry model are calculated by first using equation 4-21 to calculate the composition
that would occur without the reaction. The unreacted composition, denoted by the superscript "u”, is given
by
(4-22)
The change in composition due to the instantaneous reaction is then added to the unreacted mass
fractions, as described below. This approach is valid when the mass diffusivities of all species are equal.
A stoichiometrically correct reaction step needs to be specified. Consider a single reaction between Λ 1
(fuel) and Λ 2 (oxidizer) to produce an arbitrary number of product species.
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Modules
(4-23)
Since only one reaction is being considered, the subscript referring to the reaction step has been omitted.
The reaction is a global step, so the stoichiometric coefficients do not have to be integers. For example,
C 3 H 8 + 4.9 O 2 = 2.9 CO 2 + 0.1 CO + 3.9 H 2 O + 0.1 H 2
The mass of species i produced per mass of fuel consumed by the reaction is:
(4-24)
The stoichiometric coefficients in equation 4-24 are for the overall reaction and, therefore, positive for
product species and negative for fuel and oxidizer. Positive values of r i indicate production and negative
values indicate consumption. The instantaneous reaction consumes either all the fuel or all the oxidizer,
whichever is limiting. The amount of fuel that is consumed is:
(4-25)
The change in each species due to the reaction is proportional to the change in fuel, with the
proportionality constant given by equation 4-24. The mass fraction of each species is then given by:
(4-26)
The right-hand side of equation 4-26 is only a function of the kth mixture fractions. k-1 transport equations
must be solved for the mixture fractions. These equations have no source terms due to chemical
reactions.
Chemistry Module
Theory-Gas Phase Reaction Models-Equilibrium Model
In the equilibrium chemistry model, as in the instantaneous reaction model, the composition is determined
from the solution of transport equations for mixture fraction variables. This model assumes chemical
reactions are so fast that the mixture is in chemical equilibrium. The main difference between this model
and the instantaneous model is that the user does not have to specify a stoichiometrically balanced
reaction step. The composition is determined by minimizing the Gibbs energy of the system.
Chemical equilibrium is reached at constant temperature and pressure when the Gibbs energy is
minimized. The Gibbs energy per unit mass of a system with N species is:
155
(4-27)
where:
the chemical potential of species i (or the particle molar

µi =
Gibbs energy)
= the standard state chemical potential
p0 = is a reference pressure of 1 atmosphere.
Since the chemical potential is a function of temperature and pressure, the Gibbs energy is minimized at
constant T and P for the right combination of n i . Elements must be conserved by the change in
composition, which adds additional constraints to the system:
(4-28)
where:
a ij = the number of atoms of element j in species i

M = the total number of elements in the system
bj = total number of moles of element j per unit mass
The composition that minimizes the Gibbs energy while satisfying the element balances is obtained by
introducing the function:
(4-29)
The quantities λ j are termed Lagrangian multipliers. Since equation 4-28 must be satisfied to conserve
elements, the second term on the right-hand side vanishes and the composition that minimizes Ψ also
minimizes G. Differentiating equation 4-29 with respect to n i gives:
(4-30)
Differentiating equation 4-29 with respect to λ i gives:
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Modules
(4-31)
Setting equations 4-30 and 4-31 equal to zero gives N + M equations to be solved to give the composition
at chemical equilibrium. With some algebraic rearrangement, this yields the following:
(4-32)
(4-33)
Equation 4-32 is simplified as shown below:
(4-34)
Substituting equation 4-34 into equation 4-33 yield the following:
(4-35)
Thus we have M nonlinear algebraic equations for the unknown values of Z j . The values of b j are
calculated from the mixture fractions using equation 4-21, giving:
(4-36)
157
An iterative Newton method is used to solve the system of equations for fixed values of pressure and
temperature. The values of c j are calculated from equation 4-34. An updated temperature is calculated
from static enthalpy and the new values of c j . New values of R j , which depend on temperature, are
calculated on each iteration. The iteration process continues until convergence is achieved.
Chemistry Module
Theory-Gas Phase Reaction Models-Finite-Rate Model (for Mixture Solution)
In the finite-rate chemistry model, as the name implies, a single reaction proceeds at a finite rate. The
reaction stoichiometry is specified in the same manner as in the instantaneous chemistry model (
equation 4-23). The model is restricted to two reactant species. In addition to the stoichiometry, a rate
expression must be specified. The primary difference between the finite-rate and instantaneous models is
that the mass fraction of fuel is calculated by solution of a transport equation with a source term due to
chemical reaction for the finite-rate model. The mass fractions of the other species are calculated from the
mixture fractions and the mass fraction of fuel.
The molar production rate of species i due to the single-step reaction is:
(4-37)
An Arrhenius form ( equation 4-12) is used for the reaction rate coefficient. The reaction is irreversible
(i.e., the reverse rate coefficient is zero). As this is a global model, the concentration exponents do not
have to be the same as the stoichiometric coefficients.
The transport equation for the mass fraction of fuel, Y i , is
(4-38)
Transport equations are solved for K - 1 mixture fractions and the mass fraction of fuel. The mass
fractions of the other species are calculated by first calculating the composition of the unreacted mixture
and then adding the change in composition due to the reaction.
(4-39)
where ∆Y 1 =( Y 1 ) - Y 1 and r i is given by equation 4-24. The only difference between equation 4-39 for
u
the finite-rate chemistry model and equation 4-26 for the instantaneous chemistry model is that the mass
fraction of fuel is calculated from a transport equation in the finite-rate model.
Transport equations for mass fractions of species other than fuel are not solved, but can be derived from
the transport equations for the fuel mass fraction and the mixture fractions.
Chemistry Module
Theory-Gas Phase Reaction Models-Finite-Rate Model (for Species Solution)
This finite-rate model allows for specification of single or multiple reaction steps (see equation 4-8) to
model the process. This multi-step mechanism can be generally represented as:
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Modules
(4-40)
The multi-step reaction model does not use the concept of mixture fractions that are used in the other
chemistry models. Transport equations are solved for the mass fraction of N sp species. The transport
equation for species i is:
(4-41)
The diffusive flux of species i, J ij , includes ordinary diffusion driven by concentration gradients and,
optionally, thermal diffusion driven by temperature gradients. The mass diffusivities of individual species
do not have to be equal with this chemistry model. The production rate of species i,ωi , is given by
equation 4-10.
The source term is linearized to improve convergence.
(4-42)
where the indices n and n+1 denote the iteration at which the corresponding quantity is evaluated. There
are two methods available for the solution of equation 4-41. The first uses the full Jacobian array in
equation 4-42 and couples the solution of all mass fractions in a point-iterative equation solver. The
second method only uses the diagonal elements of the Jacobian array and solves each mass fraction
equation sequentially with a whole field equation solver.
This chemistry model cannot be used with liquid spray because the mass source terms due to
evaporation are not included in the transport equations.
Chemistry Module
Theory-Surface Reaction Models
The surface reaction models allow the calculation of deposition, etching, or catalytic reaction at surfaces.
The surface reaction provides a boundary condition for the mass fractions of species in the fluid, rather
than a source term in the transport equations. The general form of the surface reaction considered in
CFD-ACE+ is:
159
(4-
43)
here:
a ij = gas species stoichiometric coefficient
adsorbed species stoichiometric

bij =
coefficient
cij = bulk species stoichiometric coefficient
Ng = total number of gas-phase species
Ns = total number of adsorbed species
total number of bulk (deposited)

Nb =
species
For this reaction, the surface reaction rate may be expressed as:
(4-44)
where:
k fj = forward rates
k rj = reverse rates
As seen from the above expression, the surface reaction rate is assumed to be independent of the
concentration of the bulk species.
The gas-phase concentrations at the surface are expressed as:
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Modules
(4-45)
and the surface concentrations are expressed as:
(4-46)
where:
3
= gas -phase mass density in kg/m
2
= surface site density in kmol/m
gas-phase mass fractions adjacent to

=
the wall
= surface site fractions
The mass flux of reacting species to the surface (or away from the surface for species produced by the
reaction) equals the rate at which the species is consumed (or produced) by the reaction on the surface.
A species flux balance at the reacting surface yields
(4-47)
(4-48)
where, the left-hand side of equation 4-47 is the diffusive flux of species i normal to the surface and the
right-hand side of equation 4-47 is the production rate of species i per unit area of surface, on a mass
basis. Equation 4-47 and equation 4-48 are solved by coupled Newton-Raphson iterations.
The reaction (mass) flux can be computed by using two different approaches, namely the sticking
coefficient method and the general rate method. The sticking coefficient method evaluates the production
rate based on sticking probability and precursor thermal flux, while the finite-rate chemistry uses the
kinetic expression (see equation 4-44) to evaluate the reaction rate.
For sticking coefficient expression, surface reaction rate equation 4-44 becomes:
161
(4-49)
where sticking probability(The probability that a molecule will adsorb upon collision with the reacting
surface. It is defined as the rate of adsorption divided by the collision frequency with the surface.) is
expressed in Arrhenius from and the thermal flux of precursor species A is:
(4-50)
To fit into the format of equation 4-44, the above rate can be expressed as:
(4-51)
where:
(4-52)
For some surface reactions, the Arrhenius rate expression for the rate constant may need to be modified
for surface coverage by some species. In such cases, the rate constant is modified in the following
manner to account for surface coverage:
where K i and K f are the first and last surface species, ε ki , µ ki , and ξ ki are the three coverage parameters,
th
and X k (n) is the surface site fraction of the k surface species on site n.
Chemistry-Turbulence-Combustion Interaction
Chemistry Module
Theory-Turbulence-Combustion Interaction-Introduction
The different turbulence models in CFD-ACE+ to model the Reynolds stresses and turbulent heat and
mass fluxes with an eddy viscosity are described in the Turbulence Module. The effect of turbulence on
chemical reaction and on composition dependent variables, such as density or temperature, must also be
considered for turbulent reacting flows. It is not enough to average the transport equations for mass
fractions in turbulent reacting flows in a manner analogous to the treatment of heat and mass transport in
a non-reacting flow. Density and temperature are nonlinear functions of the mass fractions of each
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species. The average values of density and temperature cannot be calculated from the average value of
the mass fractions. The joint probability density function (PDF) of composition is used to account for
turbulence effects on reacting flow.
The joint composition PDF is a complete statistical description of the composition of the fluid at a single
point in space and time. If the PDF is known, then the average value of any function of composition can
be evaluated by multiplying that function by the PDF and integrating over the range of possible
compositions.
(4-53)
where:
= the joint PDF of the N mass fractions at the position x
and time t and
= an arbitrary function of the mass fractions
Favre-averaged quantities can be calculated by defining a Favre-averaged PDF:
(4-
54)
The Favre-averaged form of the PDF is used in CFD-ACE+. The tilde will be omitted in the following
discussion.
CFD-ACE+ uses an assumed PDF model for turbulent reacting flows. A parametric form of the PDF is
assumed and the parameters in the model are related to variables governed by transport equations. The
parametric form of the PDF used in CFD-ACE+ assumes the composition can be specified by a single
mixture fraction and a single reaction progress variable. This assumption limits the reaction models
available when the prescribed PDF models is used. A single-step instantaneous or finite-rate reaction can
be used. The mass diffusivities of all species must be equal and no more than two mixtures can be
defined.
The Turbulence Combustion Interaction section includes:
• Determining PDF
• Determining Averaged Variables
• Operator Splitting
• In Situ Adaptive Tabulation (ISAT)
• Subgrid Linear Eddy Model
• Application to Large Eddy Simulation
Turbulence-Combustion Interaction-Determining PDF
Chemistry Module
Theory-Turbulence-Combustion Interaction-Determining PDF
163
In CFD-ACE+, the joint composition PDF is a function of a mixture fraction and a reaction progress
variable. The reaction progress is defined as:
(4-55)
where Y f is the mass fraction of the fuel in the one step reaction and the minimum and maximum values
are functions of the mixture fraction. The mixture fraction and reaction progress are assumed to be
independent, so the two-dimensional PDF is a product of the two one-dimensional PDFs.
(4-56)
The one-dimensional PDFs have two parameters that are related to the average and variance of the
mixture fraction or reaction progress. Transport equations are solved for the average and variance of the
corresponding variable. (Note: A transport equation is solved for the average fuel fraction instead of the
average reaction progress because the reaction progress is not well defined when no fuel or no oxidizer
is present. The average reaction progress is calculated from the average fuel fraction and mixture
fraction.)
The transport equations for the average mixture fraction and average fuel fraction are derived by
averaging equation 4-19 and equation 4-38. The source term due to chemistry in equation 4-38 is
averaged using the joint PDF. The transport equations for the variances of the mixture fraction and
reaction progress include production terms caused by gradients in the average values, dissipation terms,
and (for the reaction progress) a term due to chemical reaction.
(4-57)
(4-58)
In preceding equation, C D has the value of 2.

See Also
• Reaction Progress PDF
• Mixture Fraction PDF
Chemistry Module
Theory-Turbulence-Combustion Interaction-Reaction Progress PDF
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Two choices are available for the reaction progress PDF. One is the top-hat function described below for
the mixture fraction PDF. The other is a tri-delta function with three possible values.
(4-59)
Chemistry Module
Theory-Turbulence-Combustion Interaction-Mixture Fraction PDF
Two choices are available for the mixture fraction PDF: a top-hat and beta PDF. The top-hat PDF has
uniform probability between a minimum and maximum mixture fraction, with discrete probabilities for
mixture fraction values of 0 and 1.
(4-60)
The parameters for the top-hat PDF are given below, as functions of the average and variance of the
mixture fraction.
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The beta PDF is a continuous distribution defined between the values of 0 and 1.
(4-61)
The parameters for the beta PDF are:
167
(4-62)
Chemistry Module
Turbulence-Combustion Interaction-Determining Averaged Variables
Variables such as species mass fractions, temperature, and density are functions only of the mixture
fraction and reaction progress for the reaction models allowed with the prescribed PDF model. The
average values of these variables are obtained by integrating the product of the instantaneous values of
the variable of interest and the joint PDF of the mixture fraction and reaction progress over the range of
mixture fraction and reaction progress.
(4-63)
(4-64)
Since the mixture fraction and reaction progress are independent variables and the PDF for the reaction
progress only has discrete values the two-dimensional integrals can be evaluated as a sum of one-
dimensional integrals. For example:
(4-65)
where c 1 , c 2 , and c 3 are the probabilities of the reaction progress equaling 0, , and 1. The integrals are
evaluated numerically for different values of the average mixture fraction before the transport equations
are solved. During the solution of the transport equations governing the problem, the average values of
variables are determined by linear interpolation from the stored data.
Chemistry Module
Turbulence-Combustion Interaction-Operator Splitting
This capability allows chemical kinetics to be treated separately from convection and diffusion. The de-
coupling of the chemistry from the convection and diffusion provides better convergence of the governing
transport equations compared to traditional (sequential) finite volume flow solvers. This approach requires
time steps that are smaller than the cell residence time, condition which is easily satisfied when
performing Large Eddy Simulations. The option of fast table look-up of integrated species increments (In
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Modules
Situ Adaptive Tabulation - ISAT) should be used to replace the expensive direct integrations required in
the ODE solver. The tabulation algorithm already assumes Operator Splitting.
Chemistry Module
Turbulence-Combustion Interaction-In Situ Adaptive Tabulation (ISAT)
For chemistry problems involving more than ten degrees of freedom, direct integration is an impractical
solution to detailed kinetics simulations. One of the better alternatives relies on dynamic generation of
look-up tables - In Situ Adaptive Tabulation (Pope, 1997). The tables are constructed during the actual
reactive flow calculation and each entry represents a point from the composition space which is accessed
in the calculation, forming an unstructured, adaptive discretization of the chemical manifold. The errors
arising from the retrieval process are controlled with satisfactory success using the concept of regions of
accuracy. The retrieval process comprises direct integration (in the early stages of the flow calculation)
and search and extrapolation on the elements of the data structure constituted as a binary tree.
ISAT can be applied only if the operator-splitting approach is employed on the composition evolution
equation, such that the effects of mixing, reaction and transport in physical space are treated in separate
steps. The solution to the reaction equation from the initial condition:
is an unique trajectory in the composition space. Given a fixed time step ∆t, the solution:
obtained by integrating the reaction equation is a mapping of the initial condition into the reacted value.
Consequently, in the dynamically generated table, the reaction mapping values:
at particular tabulation points have to be stored. The location of the tabulation points in the composition
space is dictated by the conditions in the flow field. In addition, information about the local properties of
the chemical manifold is recorded, thus the change in the mapping values can be calculated from the
displacements in the initial condition. The local properties of the manifold are reflected by the mapping
gradient matrix:
defined as:
and by the higher order derivatives.

In the neighborhood of each tabulation point, different levels of approximation can be used. From storage
and accuracy point of views, the zeroth order approximation is the cheapest and the least accurate. The
optimal choice is the linear mapping approximation .The mapping gradient matrix is also related to the
magnitudes of the local error in using the linear approximation in the tabulation point neighborhood. To
the leading order, the local error can be estimated as ε = |BGδφ|
where δφ is the displacement from the originating point and B is a scaling matrix. I
In order to have a valid linear approximation, the error ε should be less than the specified tolerance ε tol
which, in combination with the intrinsic properties of the mapping gradient matrix G, defines a region of
accuracy for each tabulation point φ .
0
169
The region of accuracy is described by a hyper-ellipsoid having the length of the principal axes
proportional with the tolerance error and inversely proportional with the singular values of the mapping
gradient matrix (obtained from a singular value decomposition). The singular values tend to unity if the
time step tends to zero. If the time step is very large, the compositions will be close to equilibrium and
hence the singular values will tend to zero. To prevent unreasonably large principal axes, the smaller
singular values are brought to 0.5. For each query point ϕ around a tabulation record, an estimate of the
q
hyper-ellipsoid of accuracy is obtained from the mapping gradient matrix constructed with the modified
singular values. If the query point is outside the estimated ellipsoid of accuracy, but the error is still less
than the prescribed tolerance, then the principal axes of the hyper-ellipsoid are modified such that the
query point is included or is on the boundary of the ellipsoid. Although this procedure might introduce
points that do not satisfy the error constraints, it does provide an adequate error control.
The table is built dynamically. For a given time step and a given tolerance, the chemistry module sends
a query composition to the tabulation module, and the related mapping value is returned. The returned
value is either extrapolated from a table record or is obtained by direct integration.
The data in the table is organized in a binary tree structure. The tree leaves each contain a record
consisting of: a tabulation point, its reaction mapping vector and mapping gradient matrix (all fixed), the
corresponding unitary matrix from the singular value decomposition of the mapping gradient matrix and
the lengths of the principal axes of the current estimate of the hyper-ellipsoid of accuracy (last two entry
modifiable to accommodate growth changes). The nodes of the binary tree contain the parameters of a
cutting hyper-plane passing through the middle-point between the children (tabulation points) of the
parent node and is perpendicular to the line described by the children. This information is used in the
search process as detailed below.
For a given query composition ϕ , the binary tree nodes are used to select the leaf that is likely to be the
q
closest to ϕ , by determining the position of query point with respect to each cutting plane. If ϕ is within
q q
the estimated hyper-ellipsoid of accuracy, then using the linear approximation
the mapping value is returned. If the query is outside the estimated hyper-ellipsoid of accuracy, the
mapping is determined by direct integration and local error is computed. If the error satisfies the tolerance
constraint then the estimated hyper-ellipsoid of accuracy is grown to include the query point (see figure 4-
1). Otherwise, the new query point is entered in the table as follows. The tree leaf with the tabulation point
that was referenced in the query is replaced with a node with children φ and ϕ . The entries in the tree
0 q
node are the parameters of the cutting plane between the two new children.
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Modules
Illustration of the EOA Growth Process
Chemistry Module
Turbulence-Combustion Interaction-Subgrid Linear Eddy Model
Accurate modeling of turbulent reacting flows demands the resolution of turbulence-chemistry interaction
at all ranges of length and time scales. The linear eddy mixing subgrid model (LEM) explicitly
distinguishes among the different physical processes of turbulent stirring, molecular diffusion, and
chemical reaction at all scales of the flow through the introduction of a reduced one-dimensional
description of the scalar field (Kerstein 1988).
Through this approach, it is possible to resolve all length scales of the scalar field, even for flows with
relatively high Reynolds and Schmidt numbers with affordable computational cost. Along the one-
dimensional array, detailed statistical representation of the scalar field, including both single and multi-
point statistics, can be obtained. The key to the model performance lies in the manner in which the real
physical mechanisms of turbulent mixing are represented. The molecular diffusion is treated explicitly by
the solution of the diffusion equation along the linear domain,
(4-66)
where φ is the particular scalar under consideration and D is its diffusion coefficient. Thus, molecular
diffusion is treated exactly, subject to the assumption that the statistics of a three-dimensional mixing
process can be represented within the reduced dimensionality of the linear eddy model. In regions with
chemical reactions, the chemical source term can also be treated explicitly by solution of,
(4-67)
where:
171
= the reaction rate.
Since the flow field is resolved in the one-dimensional domain, no modeling is required of the above
processes described by equation 4-66 and equation 4-67 above.
The influence of turbulent stirring is modeled stoichastically and is carried out by random rearrangements
of the scalar field along the domain. Each rearrangement event involves spatial redistribution of the scalar
field within a specified segment of the linear domain. The size of the selected segment represents an
eddy size, and the distribution of eddy sizes is obtained by applying the Kolmogorov scaling law.
Physically, rearrangement of a segment of size l represents the action of an eddy size l on the scalar
distribution. Thus, it is specified by two parameters: λ, which is a frequency parameter determining the
rate of occurrence of the rearrangement events (stirring), and f(l), which is a pdf describing the size
distribution (eddy size) of the segments of the flow which are rearranged. The values of these parameters
are determined by recognizing that the rearrangement event induces a random walk of a marker particle
on the linear domain. Equating the diffusivity of the random process with scaling for the turbulent
diffusivity provides the necessary relationships to determine λ and f(l). For a high Reynolds number
turbulent flow described by a Kolmogorov cascade, the result is (McMurtry et al. 1992):
(4-68)
(4-69)
where ReL is the Reynolds number based on the integral length scale, ν is the kinematic viscosity, η is
the Kolmogorov scale, and L is an integral scale.
The numerical algorithm for the scalar rearrangement or turbulent stirring process is carried out by the
use of the triplet map. It involves the following steps: selecting a segment of the linear domain for
rearrangement; making three compressed copies of the scalar field in that segment; replacing the original
field by the three copies; and inverting the center copy.
An illustration of the triplet map is shown below, where the last figure shows the rearranged scalar field
after acted on by molecular diffusion. The triplet map has several important features pertinent to the
turbulent stirring process. First, the triplet map results in a tripling of the scalar gradients within a selected
segment, analogous to the effects of compressive strain. Furthermore, a multiplicative increase in level
crossings of a single scalar value results. This is analogous to the increase in surface area of a specified
scalar value, a characteristic feature of turbulent mixing processes. In this manner, the most important
features of turbulent mixing are accounted for with this mapping: the increase in surface area and the
associated increase in the scalar gradient.
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Modules
Triplet Map Illustration

With these parameters and mapping method specified, a stand-alone LEM model simulation is carried out
as follows. The scalar field is first initialized along the linear domain in a manner consistent with the
configuration under study. Along this domain, the effects of molecular diffusion and chemical reaction are
implemented as a continuous process as described by equation 4-66 and equation 4-67. Then at
randomly selected times governed by the rate parameter l, diffusion and reaction processes are
interrupted by rearrangement events. The size of the domain to be rearranged is randomly selected from
the pdf f(l) . This process continues until a specified time has elapsed.
Chemistry Module
Turbulence-Combustion Interaction-Application to Large Eddy Simulation
The main element of the linear eddy sub-grid formulation is the implementation of a separate linear eddy
calculation in each grid cell. This LEM model process is parameterized by the local Reynolds number
based on grid size. Within each computational grid cell, the linear eddy simulation represents the
turbulent stirring (described by equation 4-68 and equation 4-69), molecular diffusion ( equation 4-66),
and chemical reaction ( equation 4-67) that occur at the small scales of the flow. Thus, differing to other
sub-grid models which primarily use cell averaged random values to model the turbulence-chemistry
interaction, the LEM sub-grid model directly resolves the turbulence-chemistry interaction down to the
molecular diffusion scale of the flow (well below the grid size in most engineering applications) along the
1-D array of N. While fully resolved direct numerical simulations would require an array of dimension N3,
the economy of using the linear eddy as a sub-grid model is apparent. Furthermore, the LEM model
provides a detailed description of the small scale structure that is lacking in other parameterizations of
mixing and reaction at unresolved scales.
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Schematic illustration of LEM splicing events, where the 1-D elements represents the ongoing
linear eddy calculation and the arrows indicate the components of convective flux across the grid
cell surfaces (McMurtry et al. 1993).
However, the implementation of LEM sub-grid model in LES requires another process to couple the sub-
grid mixing process to the large-scale transport process responsible for convection across grid cell
surface. This is achieved by splicing events, in which portions of the linear eddy domains are transferred
to neighboring grid cells, as shown. The amount of material transferred across each cell boundary is
determined based on the convective flux across the same cell surface, as computed from the resolvable
grid scale velocity. These splicing events occur at a frequency with a time step comparable to the LES
time step, which is much larger than the molecular diffusion time step governing the convection-diffusion-
reaction process in each sub-grid.
Chemistry Module Limitations
The diffusion coefficient (Γ) is same for all the mixture fractions in the mixture fraction option of the
Chemistry module.
The Instantaneous Chemistry Model is valid when the mass diffusivities of all species are equal.
The Single-Step Finite Rate Chemistry Model is applicable only to two reactant species.
The LEM sub-grid model is applicable only to the species option of the Chemistry module.
Chemistry-Implementation
Chemistry Module
Implementation-Introduction
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The Implementation section describes how to setup a model for simulation using the Chemistry Module.
• Model Setup and Solution - Describes the Chemistry Module related inputs to the CFD-ACE-
Solver
Chemistry Module
The Chemistry Module can be applied to any geometric system (3D, 2D planar, or 2D axisymmetric).
Implementation-Model Setup and Solution
Chemistry Module
Model Setup and Solution-Introduction
CFD-ACE+ provides the inputs required for the Chemistry Module. Model setup and solution requires
data for the following panels:
• Problem Type
• Model Options
• Solver Control
• Output
Chemistry Module
details.
Select Chemistry to activate the Chemistry Module. The Chemistry Module is required for any simulation
that involves the mixing or reacting of multiple gases. Whenever the Chemistry Module has been
activated, you must also activate the Flow module. The Chemistry Module should not be activated with
the Cavitation, Free Surface, or Two Fluid Modules.
Model Setup and Solution-Model Options
Chemistry Module
Implementation-Model Setup and Solution-Model Options-Introduction
details. The Chemistry Model Options section includes:
• Model Options-Shared
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• Model Options-Chem
• Model Options-Chem-Gas Phase
• Model Options-Chem-Liquid Phase
• Model Options-Unsteady Combustion
• Model Options-In Situ Adaptive Tabulation (ISAT)
Chemistry Module
Implementation-Model Setup and Solution-Model Options-Shared
There are no settings under the Shared tab that affect the Chemistry Module. See Model Options for
details.
Chemistry Module
Implementation-Model Setup and Solution-Model Options-Chemistry
The model options for the Chemistry Module are located under the Chemistry tab. The Chemistry Media
section's Media field contains a pull-down menu with two choices:
• Gas Phase - Select the gas option to study gas related problems.
• Liquid Phase - Select the liquid option to study electrochemistry problems.
The example below displays the Gas Phase section that appears when the Gas Phase option is selected.
Chemistry Module - Model Options Panel - Chemistry Tab
Chemistry Module
Implementation-Model Setup and Solution-Model Options-Chem-Gas Phase
When you select Chem Tab->Chemistry Media->Gas Phase option, the Gas Phase section of the panel
appears. It enables you select a pre-defined reaction mechanism to be applied to all of the fluid regions of
the solution domain. You can specify reaction mechanisms in the Reaction Database Manager (see
Database Managers).
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Model Options - Chem Tab - Gas Phase

The Chem Tab-Gas Phase section's Solve For field contains a pull-down menu with two choices:
• Mixture Mass Fractions
• Species Mass Fractions (for gas phase reactions).
Mixture Mass Fraction
If you select Mixture Mass Fraction, you can apply any reaction mechanism that is Instantaneous,
Equilibrium, or Finite-Rate (for Mixture Fraction Approach). Mixture Mass Fraction usually requires fewer
transport equations than Species Mass Fraction. However, some models and fluid property options are
not available for Mixture Mass Fraction, as shown in the following table. If you would like to use one of
these models, you must activate Species Mass Fraction.
Species Mass Fraction
If you select Species Mass Fraction, you must select a Finite-Rate (for Species Fraction Approach)
mechanism. Select Species Mass Fraction if you anticipate using one of the models available only for this
approach during a later restart run.
Models for Mixture Mass Fraction and Species Mass

Fraction Mass Transport
Mixture Mass Fraction Species Mass Fraction
Chemistry Chemistry
Finite-Rate (single step) Finite-Rate (multi step)

Reactions Reactions
Instantaneous Reactions Surface Reactions
Properties (viscosity,
Equilibrium Reactions conductivity) by Kinetic
Theory
Multi-Component Diffusion
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Model Options-Chem-Gas Phase-Reaction Models
Chemistry Module
Gas Phase Options - Nitrous NOX
The nitrous oxide mechanism for the production of NOX can be significant, even dominant, for lean flame
conditions. The mechanism is initiated by the reaction . Production of NOX by
the nitrous oxide pathway is modeled in CFD-ACE+ as a residence time dependent component and a
prompt component (similar to thermal NOX production). The prompt component is the result of super-
equilibrium of radicals in the flame region. The residence time dependent NOX production is modeled by:
(1)
where the reaction rate is determined from with A=2.0e7 and E/R=35000 in SI units.
The constants were set by matching the detailed kinetics results from LSENS. The prompt component of
nitrous NOX production is modeled by:
(2)
where the reaction rate is determined from with A=1.9e3 and E/R=16000 in SI units
and the exponent a=0.45. The subscript b indicates concentrations that are determined from the amount
of those species entering the cell before reaction occurs. The prompt component of nitrous NOX is
turned on only if the prompt NOX model is also turned on.
Chemistry Module
Gas Phase Options - Prompt NOX
Prompt NOX is formed in the flame region for hydrocarbon fuels primarily through reactions involving
HCN. A global reaction for the production of NOX by the prompt mechanism derived by De Soete and
further discussed by Pourkashanian, et al. is the basis for the model used in CFD-Ace+:
(1)
The reaction rate is determined from with A=5.0 and E/R=6000 in SI units. The
concentration order ranges from 0 to 1 and is found as a function of the mole fraction from a curve fit
of the graphical data given in Reference 3. is a correction factor that is a function of the local
equivalence ratio, pressure, and the number of carbon atoms in the fuel. The concentrations of the fuel
and are based on the amount of those species entering the cell before reaction occurs. The NOX
production is proportional to the flame area in the cell rather than the cell volume.
Chemistry Module
Gas Phase Options - Effects of Turbulent/Chemistry Interaction
The production of NOX, especially thermal NOX, increases exponentially with temperature. Because of
the strong nonlinearity, significant inaccuracy may be introduced by using mean values of temperature
and species concentrations in determining NOX source terms. The turbulent variations in these
quantities can be accounted for by using a density-weighted probability density function (PDF) on the
mixture fraction variable and/or the progress variable. A PDF on the mixture fraction is most important for
diffusion flames and a PDF on the progress variable is most important for premixed flames. A
combination of both is often best for partially premixed flames. The PDF formulation is limited to cases in
which the mixture fraction of all the species can be determined from one conserved scalar (mixture
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fraction) and/or a progress variable. The progress variable ranges from 0 for unburnt mixtures to 1 for
burnt mixtures. The PDF shape for the mixture fraction is assumed to be either a top-hat or Beta
function. The PDF shape for the mixture fraction is assumed to be either a 3-Delta or a 5-Delta function.
The Delta functions for the progress variable allow for efficient 2-D integration when both mixture fraction
and progress variable PDFs are used.
The mean value of the NOX source term is evaluated at each cell using the prescribed PDF from
(1)
where is the NO source term, F is the mixture fraction, and P is density-weighted PDF of the mixture
fraction. The mean density is found from
(2)
The assumed PDF shapes for the mixture fraction (top-hat or beta) are dependent on the mean mixture
fraction (available from CFD-ACE+) and the variance of the mixture fraction. The variance is either read
from the CFD-ACE+ Restart file, if available, or calculated by CFD-POST from the steady-state transport
equation
(3)
where
(4)
The assumed PDF shapes (Delta functions) are dependent on the mean progress variable and the
variance of the progress variable. The progress variable variance must be available from CFD-ACE+.
Chemistry Module
Gas Phase Options - CO Post Processing
CO concentrations in 2-D or 3-D reacting flow fields are calculated by assuming that the deviation of the
calculated CO field from the equilibrium value is small or that the calculated CO concentration is small so
that the post-processed CO concentration has negligible effect on the heat release and the overall flow
field. It is also assumed that equilibrium values of , CO and OH have been calculated by CFD-ACE+
for the Warnatz CO oxidation option or that equilibrium values of , CO, , and have been
calculated for the Dryer-Glassman CO oxidation option. The reaction in CFD-ACE+ may be either
instantaneous or 1-step with equilibrium products. The CO field is solved by calculating the CO source
term for each cell and using the convective and diffusive fields from CFD-ACE+ (from the .AFL file). The
solution assumes that the upwind differencing scheme was used in CFD-ACE+ (See Mass Flow). CO is
produced from the consumption of fuel. For example, consumption of 1 mole of (as predicted by
CFD-ACE+) produces 3 moles of CO. The CO concentration is also constrained in the solution to be
greater than or equal to the equilibrium CO concentration. The Warnatz option for CO oxidation reaction
is given by
(1)
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From this reaction, the destruction of CO can be expressed as
(2)
where the reaction rate is determined from with , , and

in SI units. The subscript e indicates equilibrium concentrations. The constant A has been modified in
CFD-POST to a value of to better fit experimental results for practical combustors.
The oxidation of CO for the Dryer-Glassman option is given by
(3)
where the reaction rate is determined from with , , and

in SI units. The constant A has been modified in CFD-POST to a value of to
better fit experimental results for practical combustors.
A similar model is also given by Howard et al. and additional work on CO oxidation is given by Baulch and
Drysdale.
Chemistry Module
Implementation-Model Setup and Solution-Model Options-Chem-Liquid Phase
When you choose Chem Tab->Chemistry Media->Liquid Phase, the Liquid Phase section of the panel
appears.
Model Options - Chem Tab - Liquid Phase

Liquid Phase
The Liquid Phase section contains an Applications pull-down menu with the following options:
• General Liquid Chemistry
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o Solve Concentration - When you choose this option, you must then go to the Tools Menu-
>Database option. The Database Manager opens. Click the Species button and define your
species. Click the Mixtures button. Under User Input, select the Concentration option. At the
bottom of the window, select Enter Molar Concentration.
o Binary Diffusion
o Volume Reaction
General Liquid Chemistry Option
• Biochemistry
o Binary Diffusion
o Volume Reaction
o Ionization
Biochemistry Option
Chemistry Module
Implementation-Model Setup and Solution-Model Options-Unsteady Combustion
This model option is visible only for unsteady problems with Gas Phase media and the Species Mass
Fraction approach selected. This feature is available only for CFD-ACE+ reaction sources. By activating
Solve Combustion you can select a combustion model with the option to use ISAT in the calculation.
Laminar Chemistry with Operator Splitting is the default combustion model with the option Staggered
Chemistry. This feature is very useful for accelerating the solution for large problems with complicated
reaction mechanisms. By picking this option, the chemical rates are computed only once per time step at
the last iteration and saved for the next time step.
When the Large Eddy Simulation closure Localized Dynamic is used you may choose another
combustion model, the Sub-grid Linear Eddy Model, which is dependent on the sub-grid kinetic energy.
You may select the Integrated Mean Reaction LEM option for greater accuracy of the reaction rates
calculation. This forces the chemistry module to integrate the reaction rates within each time sub-time
step. Otherwise, the rates are calculated by simply calling the kinetic rate subroutines - a faster approach
but less accurate.
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To further speed up the simulation, you can set a Reaction Cutoff Temperature. In all cells of the
computational domain for which the temperature is less than the cutoff value, the reactions rates are set
to zero. The default value is 300K.
Chemistry Module
Implementation-Model Setup and Solution-Model Options-In Situ Adaptive Tabulation (ISAT)
The ISAT algorithm may be chosen by checking Use ISAT for the available combustion models. ISAT
reduces the number of direct integrations or full reaction rates calculations that are performed for each
cell during the simulation. You can set several parameters for this algorithm.
The ISAT algorithm may optimized further by the use of multiple trees as function of temperature range
and by controlling the size and their efficiency.
The temperature range can be divided in a number of Temperature Intervals such that each interval is
represented by an ISAT tree. Specify the temperature range by setting the Maximum Temperature and
Minimum Temperature values.
If you choose Scale Temperature, the Maximum Temperature value is also used for scaling the
temperature variable, thus setting the error control level with respect to the [0,1] range.
The ISAT Tolerance parameter dictates the accuracy of the ISAT algorithm. The smaller the value the
more direct integrations are performed.
The efficiency of the ISAT is controlled by setting the maximum number of records in the tree with
Maximum Additions and the ISAT Threshold which represents the ratio of additions per number of
queries. When these values are exceeded the tree is deleted and a new tree is built. This ensures that
the root of the tree is situated closer to the center of the chemical manifold, resulting in a more balanced
tree structure and hence greater efficiency.
In the case of SVD non-convergence, the maximum number of iterations for the Singular Value
Decomposition algorithm can be increased with SVD Max. Iterations.
You may also choose between three kinds of ISAT algorithms differentiated by the type of extrapolation
method used in the error control. The Full Algorithm uses linear extrapolation and growth of regions of
accuracy. The Linear Extrapolation results in fixed regions of accuracy. The Zeroth Order Approximation
uses direct values that were previously stored in the tree. The trade-off is again between speed and
accuracy.
When ISAT is used with Sub-grid Linear Eddy Model and the Integrated Mean Reaction LEM option
checked, the user may divide the sub-grid time step into several ISAT trees with LEM Time Intervals. The
control over this value is not entirely in the possession of the user, in that the minimum number of time
intervals is not known a priori and has to be set in an iterative manner.
Model Setup and Solution-Volume Conditions
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Introduction
Conditions for details. Before any property values can be assigned, a volume condition entity must be
made active by picking a valid entity from either the Viewer Window or the VC Explorer.
With the volume condition setting mode set to Properties, select any volume conditions and ensure that
the volume condition type is set to Fluid. Only volume conditions that are of Fluid type need to have
mixing properties specified (since there is no flow in solid or blocked regions there are no mixing
properties for those regions.)
There are five volume condition properties required by the Chemistry Module; density, viscosity, specific
heat, conductivity, and mass diffusion. The density and viscosity properties are discussed in detail in the
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Flow Module-Volume Conditions) and the specific heat and conductivity properties are discussed in detail
in the Heat Transfer Module-Volume Conditions). The Volume Conditions section includes:
• Volume Conditions-Mass Diffusion
• Volume Conditions-Constant Schmidt Number
• Volume Conditions-Constant Diffusivity
• Volume Conditions-Mix Polynomial in T
• Volume Conditions-Multi-Component Diffusion
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Mass Diffusion
The options available for Mass Diffusion vary depending on whether the Mixture Mass Fraction or
Species Mass Fraction approach has been selected (see Solution Method).
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Constant Schmidt Number
Mass diffusion by a constant Schmidt Number can be used for both the Mixture and Species Mass
Fraction approaches. When you specify a constant Schmidt Number (σ), the diffusion coefficient is
calculated as:
(4-70)
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Constant Diffusivity
You can specify a constant value of diffusion coefficient for a particular species using the Database
Manager. Under the Database Manager, select the species of interest and under General tab, specify the
value of diffusivity as coefficient c0.
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Mix Polynomial in T
You can specify a fifth order polynomial for the variation of diffusivity as a function of Temperature. This is
done in property manager under the General tab for each individual species. Coefficients c0, c1, c2, c3,
c4 and c5 can be specified.
Chemistry Module
Implementation-Model Setup and Solution-Volume Conditions-Multi-Component Diffusion
A more accurate model of the diffusive flux of each species is obtained by using the multi-component
diffusion model. Multi-component diffusion can be activated only if you have selected mass transport by
species mass fraction equations from the Model Options page (see Solution Method).
For the multi-component diffusion option, the species diffusive flux is split into two parts as shown below.
(4-71)
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The first part is the concentration-driven diffusion and is calculated as:
(4-72)
The second part is the thermo-diffusion or Soret diffusion and is calculated as:
(4-73)
The concentration-driven diffusion coefficient is then calculated as:
(4-74)
where
D ij =
Lennard-Jones collision diameter

=
the collision integral

=
The collision integral, , is evaluated from the dimensionless temperature k B /ε ij

where
kB = Boltzmann constant
characteristic energy of
ε ij =
interaction,
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Optionally, thermo-diffusion can be added to the concentration-driven diffusion by checking the Thermo-
diffusion button. This option accounts for the species diffusion due to gradients of temperature. If this
option is selected, the thermo-diffusion coefficient is calculated as:
(4-75)
where k ij is the therm-odiffusion ratio.

The Multi-component Diffusion option also requires that you specify a method by which the program will
satisfy species conservation i.e.:
(4-76)
There are three options:

• None - The default of None means that the program will not strictly enforce species conservation
for three or more species systems. For two species systems, the multi-component diffusion model
does ensure species conservation
• Reference Species - You can provide a Reference specie (usually the one with the large
concentration) and the program then calculates the mass fraction of this reference species as 1.0
minus the sum of the remaining species concentrations.
• Stefan-Maxwell - You can request the Stefan-Maxwell model in which the program uses an
approximate form of the Stefan Maxwell equations to ensure species conservation.
Model Setup and Solution-Boundary Conditions
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Introduction
Click the Boundary Conditions [BC] tab to see the Boundary Conditions. See Control Panel-Boundary
Conditions for details. To assign boundary conditions and activate additional panel options, select an
entity from the viewer window or the BC Explorer.
The Chemistry Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface boundary
conditions. (See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions , or Arbitrary Interface
Boundary Conditions for details).
The general boundary conditions for the Chemistry Module are located under the Chemistry tab and can
be reached when the boundary condition setting mode is set to General. Each boundary condition is
assigned a type (e.g., Inlet, Outlet, Wall, etc.). The Chemistry Boundary Conditions section includes:
• Boundary Conditions-Inlets
• Boundary Conditions-Outlets
• Boundary Conditions-Walls
• Boundary Conditions-Surface Reactions
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• Boundary Conditions-Rotating Walls

• Boundary Conditions-Interfaces
• Boundary Conditions-Thin Walls
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Inlets
For any inlet boundary condition, you must specify how to set the species concentration for each cell face
on the boundary condition patch.
To set species concentration for an inlet boundary condition:

1. Select a previously defined mixture to be brought in at the inlet.
2. Under the Chemistry tab, select an option from the pull down menu (it lists all of the mixtures
defined for the model).
3. If the mixture is not present, click the Define button to launch the Property Manager and define a
new mixture.
See Database Manager-Mixtures for details on how to define a mixture.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Outlets
Under the Chemistry tab, specify a mixture for the outlet boundary condition just as you would for an inlet.
This mixture will only be used where there is inflow through the outlet boundary condition.
Inflow through an outlet can occur anytime during the solution convergence process (even if the final
solution indicates all outflow) so it is recommended that you supply a reasonable mixture definition. If the
final solution shows inflow through an outlet boundary condition, this indicates that the boundary condition
may not have been located in an appropriate place. When this happens, an unphysical solution and
convergence problems may result and you should relocate the outlet boundary condition to an area
where there is total outflow if possible.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Walls
Various boundary conditions can be specified under the Chemistry tab. They are:
• Zero Flux - Flux of all species to the walls is set to zero
• Fixed Mixture - You can specify the mixture composition on all the cells adjacent to the wall. You
must ensure that SUMMATION = 0. This mixture can be defined in the property manager and will
show up in the list of mixtures available for this boundary. This option is valid only when Liquid is
selected.
• Species Specification - This is similar to the Fixed Mixture boundary condition. You can pick
each one of the species available in a mixture and choose one of the four evaluation techniques
in Evaluation method for that particular species. This option is valid only when Liquid is selected.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Surface Reactions
You can specify a surface reaction mechanism to be applied to each wall boundary condition. Under the
Surface Reactions tab is a pull-down menu that lists all of the surface reaction mechanisms defined for
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the model. If the mechanism is not present, press the Define button to launch the Surface Reaction
Manager and define a new mechanism. See Database Manager- Surface Reaction Mechanisms for
details on how to define a surface reaction mechanism.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Rotating Walls
The Chemistry Module boundary condition specifications for rotating walls are identical to that as
described for wall boundary conditions. They are:
• Zero Flux - Flux of all species to the walls is set to zero
• Fixed Mixture - You can specify the mixture composition on all the cells adjacent to the wall. You
must ensure that SUMMATION = 0. This mixture can be defined in the property manager and will
show up in the list of mixtures available for this boundary. This option is valid only when Liquid is
selected.
• Species Specification - This is similar to the Fixed Mixture boundary condition. You can pick
each one of the species available in a mixture and choose one of the four evaluation techniques
in Evaluation method for that particular species. This option is valid only when Liquid is selected.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Symmetry
The symmetry boundary condition is a zero-gradient condition. Species are not allowed to cross the
symmetry boundary condition. There are no Chemistry Module related values for symmetry boundary
conditions.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Interfaces
The interface boundary condition allows two computational regions to communicate information. If the
interface boundary condition lies between a fluid volume condition and a solid volume condition, then you
may specify a surface reaction mechanism to be applied to that location.
Interface boundary conditions can be converted to Thin Walls. See Thin-Wall Boundary Conditions and
Arbitrary Interface Boundary Conditions for information on other ways for computational domains to
communicate.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Thin Walls
The Thin Wall boundary condition is fully supported by the Chemistry Module. See Thin-Wall Boundary
Conditions for instructions on how to setup a thin wall boundary condition.
The Chemistry Module treats a thin wall boundary condition the same as a wall boundary condition (see
Walls). Under the Chemistry tab, there are inputs available for surface reaction specification if surface
reactions have been activated.
Chemistry Module
Implementation-Model Setup and Solution-Boundary Conditions-Cyclic
The Cyclic boundary condition is fully supported by the Chemistry Module. See Cyclic Boundary
Conditions to learn how to setup a cyclic boundary condition. There are no Chemistry Module related
settings for the cyclic boundary condition.
Chemistry Module
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for details.
You can specify the Initial Conditions as constant values or read from a previously run solution file. If you
specify constant values, you must provide an initial mixture as required by the Chemistry Module. The
mixture definition can be found under the Chemistry tab. The mixture definition must be previously
defined using the Property Database Manager. See Database Manager-Mixtures for details on defining
mixtures.
Although the Initial Condition mixture does not affect the final solution, a reasonable mixture should be
specified so that the solution does not have convergence problems at start-up.
Chemistry Module
Implementation-Model Setup and Solution-Solver Control-Introduction
Click the Solver Control [SC] tab to see the Solver Control Panel and obtain access to the settings that
control the numerical aspects of the CFD-ACE-Solver and output. It includes:
• Spatial Differencing Scheme
• Solver Selection
• Under-Relaxation Parameters
• Variable Limits
Chemistry Module
Implementation-Model Setup and Solution-Solver Control-Spatial Differencing Scheme
the equations. Activating the Chemistry Module enables you to set species or mixture mass fraction
calculations. The default method is first order upwind. See Control Panel-Solver Controls-Spatial
Differencing Scheme for more information on the different differencing schemes available. See Numerical
Methods for numerical details of the differencing schemes.
Chemistry Module
Implementation-Model Setup and Solution-Solver Control-Solver Selection
the Chemistry Module enables you to set the mixture or species mass fraction equations. The default
linear equation solver is the conjugate gradient squared + preconditioning (CGS+Pre) solver with 50
sweeps. See Solver Selection for more information on the different linear equation solvers available and
Linear Equation Solvers for numerical details of the linear equation solvers.
Chemistry Module
Implementation-Model Setup and Solution-Solver Control-Under Relaxation Parameters
Under the Relaxation tab, select the amount of under-relaxation to be applied for each of the dependent
(solved) and auxiliary variables used for the equations. Activating the Chemistry Module enables you to
set the mixture or species mass fraction dependent variables. See Under Relaxation Parameters for more
information on the mechanics of setting the under relaxation values. See Under Relaxation for numerical
details of how under-relaxation is applied.
The mixture or species mass fraction equations use an inertial under relaxation scheme and the default
values are 0.2. Increasing this value applies more under relaxation and therefore adds stability to the
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Chemistry Module
Implementation-Model Setup and Solution-Solver Control-Variable Limits
Under the Limits tab, select the settings for minimum and maximum allowed variable values. CFD-ACE+
will ensure that the value of any given variable will always remain within these limits by clamping the
value. Activating the Chemistry Module enables you to set limits for the mixture or species mass fraction
variables. See Control Panel-Solver Controls-Variable Limits for more information on how limits are
applied.
The default minimum and maximum limits for the mixture or species mass fractions are 0 and 1
respectively. These limits should not be changed or an unphysical solution may result.
Chemistry Module
Implementation-Model Setup and Solution-Solver Control-Advanced Settings
Advanced Settings
Shared
Buffered Output
Higher Accuracy
Chem
There are three settings under the advanced options tab: Cut Diffusion (Chem) at Inlets, CFL Relaxation,
and Species Conservation Enforced.
The Inlet Diffusion option allows you to disable the species diffusive link to an inlet boundary. For low
pressure transport problems this may be important because it allows you to prevent the diffusive loss of
species through an inlet and gives you better control over the amount of each species in the domain since
you only have to account for inlet convection.
When using CFL based relaxation, an effective time step is calculated for each computational cell (local
time stepping). The size of the cell’s effective time step is calculated by determining the minimum time
scale required for convection, diffusion, or chemistry to occur in that cell. This minimum time scale is then
multiplied by a user input factor to determine the final effective time step which will be used for that cell.
SC-->Adv and checking the appropriate check boxes for each module. The relaxation factor defined in
SC-->Relax is used as the CFL multiplier.
Rule of Thumb: Inverse value of the usual inertial relaxation factor.
Effect of Value:
The Species Concentration Enforced option is intended for use with PEM fuel cell cases, but could be
used for other applications. For multicomponent diffusion problems, it is recommended that the Stefan-
Maxwell enforcement method be used for species conservation.
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Chemistry Module
Implementation-Model Setup and Solution-Output-Output Introduction
There are no settings under the Output tab that effect the Chemistry Module. See Control Panel-Output
Options for details about the available output settings.
The Output section includes:
• Graphical Output
• Summary Output
Chemistry Module
Implementation-Model Setup and Solution-Output-Graphical Output
Under the Graphics tab, select the variables to output to the graphics file (modelname.DTF). These
variables will then be available for visualization and analysis in CFD-VIEW. Activating the Chemistry
Module provides output of the variables listed in the table below:
Chemistry Module Graphical Output
Variable Units
Mixture or Species Mass Fractions -
Reaction Rate (if gas phase 3

kg/m -s
reactions are present)
Deposition Rate (if surface reactions 2

kg/m -s
are present)
2
Species Flux kg/m -s
2
Species Diffusivity m /s
2
Species Thermodiffusivity m /s
Chemistry Module
Implementation-Model Setup and Solution-Output-Summary Output
Under the Summary tab, select the summary information to be written to the text based output file
(modelname.out). Activating the Chemistry Module enables you to set the output of a species summary.
See Control Panel-Summary Output for more information on the general summary output options
including boundary integral output and monitor point output.
The species summary will provide a tabulated list of the integrated mass flow (kg/s) through each flow
boundary (inlets, outlets, interfaces, etc.) for each species.
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In addition to the summary species flow rate output, you can select gas phase species flux information at
reacting surfaces for one-way coupling to feature scale models. This coupling is only available when you
use the Species Mass Fraction solution approach, and is activated by choosing the Feature Scale
Coupling option under the Summaries tab. The locations and format of the output may be specified either
through the User Input option, or by requesting that a text file be read. Next, specify the locations of the
link points and the format for the flux data. The resulting data is printed to files named
modelname.nnn.FSC, where nnn is the link point number. The available formats are:
• Generic: the actual and maximum possible fluxes of each species to the surface, in units of #/cm2
sec, are provided. The maximum flux is the appropriate input for a feature scale model, the actual
flux is provided to allow estimation of effective sticking coefficients. The coordinates of the actual
computational face center at which the fluxes were obtained, and the temperature of that face,
are also provided.
• EVOLVE: the operating condition lines of the EVOLVE input deck are provided for the gas phase
species participating in a surface reaction at the link points. The first line of the output is the
temperature (Kelvin) and the pressure (Torr). The next line consists of the EVOLVE 'ioper' flags
for each species, with each value set to 3 to signify that the operating condition input is fluxes in
gmole/cm2 sec. The final line is the maximum fluxes of the species to the surface . An additional
file, modelname.EVSPEC, is written to provide the species output order.
• SPEEDIE: the general SPEEDIE output format is equivalent to the Generic format, providing the
user the flexibility of choosing which species correspond to the SPEEDIE DEPO, ION, or CHEM
species.
• SPEEDIE LPCVD1 and LPCVD2: the user specifies the species in the ACE model that will
correspond to the DEPO (and DEPO2) species in the SPEEDIE LPCVD 1 (2) model, and
additionally species the substrate and deposited materials. The modelname.nn.FSC file contains
the fluxes, deposited material, and model parameter data for simulation of low pressure chemical
vapor deposition using the corresponding SPEEDIE model.
For simulations using the plasma module, additional data is provided if a sheath model is specified at the
reacting surface. In this case, the energy and angular distribution functions are written for each ion at the
surface in files named modelname.(e,a)df.species_name.nnn.dat. These files provide probability
distributions for the energy and angular distributions of the ions striking the surface, with the energies in
electron volts and the angles in degrees. If you select EVOLVE format output, angular flux distribution
files in EVOLVE format named modelname.species_name.nn.EVFLX are also provided. Similarly, if you
select the SPEEDIE format, the SPEEDIE format *.mo files with energy and angular distributions for the
fluxes of each species are provided.
Chemistry Module
CFD-VIEW can post-process the solutions. When the Chemistry Module is invoked, the mixture or
species mass fraction fields are usually of interest. You can view these fields with surface contours and
analyze them using point and line probes.
For reacting problems (gas phase or surface chemistry) output of the reaction rate and/or deposition rate
are usually of interest. The deposition rate is only written on the surfaces for which a surface reaction has
been applied, and is therefore best analyzed through the use of point or line probes. A complete list of
post processing variables available as a result of using the Chemistry Module are shown in the table.
3
Nox_Rate NOx production rate kg/(m -sec)
191
Progress Progress Variable -
3
React_Rate Reaction Rate kg/(m -sec)
Species name Species Mass fraction -
The species summary written to the output file (modelname.out) is used to determine quantitative results.
The species summary can also be used to judge the convergence of the simulation. Due to the law of
conservation of mass, the summation of all species flowing into and out of the computational domain
should be zero (unless species sources or sinks such as gas phase and surface reactions are present). In
the simulation a summation of exactly zero is almost impossible, but you should see a summation that is
several orders of magnitude below the total species inflow.
Chemistry Module Frequently Asked Questions
What information does the CVD file contain? What is the file format?
The CVD file is written when the Chemistry module is activated and surface reactions are occurring. The
deposition/etch rate can be obtained for the reacting surface. The deposition/etch rate is provided at
every boundary face on the reacting surface. In the example CVD file below, xf is the x location of the
face center, yf is the y location of the face center, Dep/Etch Rate is the deposition/etch rate at each
boundary face. and SumYw-1 is the summation of the mass fractions at the wall minus one. Note that the
deposition/etch rate is reported in microns/min.
Dep(-ve)/Etch(+ve) rate in microns/min

xf yf Dep/Etch Rate SumYw-1
-0.300000E-01 0.100000E-01 0.000000E+00 0.2400E-07
-0.300000E-01 0.235584E-01 0.000000E+00 0.2394E-07
-0.300000E-01 0.385712E-01 0.000000E+00 0.2380E-07
I have specified bulk species as a product in my reaction, but I do not see and deposition/etch
rate?
When using bulk species in a reaction, the bulk species must be the first product species in the reaction.
If the bulk species is not the first product species in the reaction, then you will not see any deposition or
etching (given as a deposition or etching rate in CFD-VIEW). Here is an example of a correct reaction
and an incorrect reaction:
A + B −> C(B) + D (Correct)
A + B −> D + C (B) (Incorrect)
Chemistry Module Examples
The following tutorial uses the Flow, Heat Transfer, and Chemistry Module exclusively:
• Surface Reaction in a 2-D Reactor
The following tutorials use the Flow, Heat Transfer, and Chemistry Module in conjunction with one or
more other modules:
Chemistry Module References
192
Modules
Kerstein, A. R., "A Linear Eddy Model of Turbulent Scalar Transport and Mixing." Combust. Sci. Tech. 60,
p. 391, 1988.
McMurtry, P. A., Menon, S., and Kerstein, A. R., "A Linear Eddy Sub-Grid Model for Turbulent Reacting
Flows: Application to Hydrogen-Air Combustion." Twenty-Four Symposium (international) on
Combustion, The Combustion Institute, pp. 271-278 (1992).
Pope, S.B., (1997), "Computationally Efficient Implementation of Combustion Chemistry Using In Situ
Adaptive Tabulation.” Combustion Theory and Modeling, Vol. 1, pp. 41-63.
Pratt David T., Wormeck, John J., CREK, A computer program for calculation of Combustion Reaction
Equilibrium and Kinetics in Laminar or Turbulent Flow. Thermal Energy Laboratory Department of
Mechanical Engineering, Washington State University Report WSU-ME-TEL-76-1.Pullman, WA:
1976.
Somorjai, G. A., Introduction to Surface Chemistry and Catalysis, Wiley-Interscience, New York, 1994
User Scalar Module

You can apply the User Scalar Module to any geometric system (3D, 2D planar, or 2D axisymmetric). All
grid cell types are supported (quad, tri, hex, tet, prism, poly).
User Scalar Module

CFD-ACE+ provides the inputs required for the User Scalar Module. Model Setup and Solution requires
• Problem Type
• Model Options
• Solver Control
• Output
User Scalar Module

details.
Select User Scalar to activate the User Scalar Module. The User Scalar Module can work with any of the
other modules in CFD-ACE+.
User Scalar Module

Implementation-Model Setup and Solution-Model Options
193
details. All of the model options for the User Scalar Module are located under the User Scalar (Scalar)
tab.
Shared Tab
There are no settings under the Shared tab that directly affect the User Scalar Module.
Scalar Tab
This panel enables you to specify the number of user scalars and the type and name of each user scalar.
The steps for defining this information are given below.
Model Options - Scalar Tab

1. Enter the number of scalars in the Total Scalars field and click OK.
2. In the Current Scalar field, enter the scalar number that you want to make current, or use the
arrow key at the far end of the field to specify which scalar is current.
3. For the current scalar, assign the type (see Scalar Types for detailed descriptions of each user
scalar type).
• To create a General Scalar, activate both Convection and Diffusion in Solid.
• To create a Passive Scalar, activate only Convection.
• To create a Poisson Scalar, activate only Diffusion in Solid.
4. Enter a name for the current scalar in the Scalar Name field.
5. Proceed with step 2 for every scalar.
User Scalar Module

Implementation-Model Setup and Solution-Volume Conditions
Conditions for details. Before any property values can be assigned, one or more volume condition entities
must be made active by picking valid entities from either the Viewer Window or the VC Explorer.
You can specify general scalar sources by changing the volume condition setting mode to Scalar. (see
Source Term Linearization for details on setting general sources).
With the volume condition setting mode set to Properties select any volume conditions. There are three
volume condition properties required by the User Scalar Module; density, viscosity and scalar diffusivity.
Density is only used by the User Scalar Module only for user scalars which are of the General and
Passive type. The viscosity property is used by the User Scalar Module only if the scalar diffusivity is to
be calculated by the Schmidt number approach. The density and viscosity properties are discussed in
detail in the Flow Module (see Volume Conditions).
A typical input panel for scalar diffusivity is shown.
194
Modules
Volume Condition Inputs for Scalar Diffusivity

The Total Scalars field lets you know how many user scalars have been defined (see Model Options).
You must set each user scalar’s diffusivity as follows.
2. For the current scalar, pick the evaluation method to be used to calculate the scalar diffusivity (D).
There are three choices available:
•
2
Constant-D = value specified in m /s.
• Schmidt Number - D = µ/Sc
• User Sub (udiff_scalar) - D is defined by a user subroutine (udiff_scalar). Please see User
Subroutines for details.
3. Enter the value of diffusivity or Schmidt number as appropriate.
User Scalar Module

Implementation-Model Setup and Solution-Boundary Conditions
The User Scalar Module is fully supported by the Cyclic, Thin Wall, and Arbitrary Interface boundary
conditions. (See Cyclic Boundary Conditions, Thin-Wall Boundary Conditions or Arbitrary Interface
Boundary Conditions for details on these types of boundary conditions and instructions for how to
implement them.)
All of the general boundary conditions for the User Scalar Module are located under the Scalar tab and
can be reached when the boundary condition setting mode is set to General. Each boundary condition is
assigned a type (e.g., Inlet, Outlet, Wall, etc.). See BC Type for details on setting boundary condition
types.
The User Scalar Module differs from the other modules in the fact that the boundary condition for a user
scalar has been generalized. The method described below works for the following boundary condition
types:
• Inlets
• Outlets
• Walls
195
• Rotating Walls
Boundary conditions which are of type Symmetry will always have a zero gradient condition applied for
the user scalar equations. Boundary conditions which are of type Interface will have a matching flux
condition (see equation 5-3).
The generalized boundary condition for user scalars is evaluated according to the following equation:
(5-4)
You are required to assign values to the coefficients a, b, and c. Different boundary effects can be
accomplished by the choice of coefficients a, b, and c and are summarized below.
Boundary Condition Coefficient Settings for Different Effects
Coefficient Setting
Desired
Result
Effect
a b c
c
Fixed Value
a=0 =
(Dirichlet)
c
c
Fixed Flux
b=0 =
(Neumann)
c
Flux as
c
Function of
=
Value
c
(Combined)
A typical input panel for any user scalar boundary condition is shown.
Boundary Condition Inputs for User Scalar Coefficients

You must set each user scalar’s boundary condition coefficients:
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Modules
2. For the current scalar, pick the evaluation method to be used to specify the c coefficient. The
choices are Constant value or User Defined c (see User Subroutines for details).
3. Enter the values for coefficients a, b, and c keeping in mind equation 5-4 and the information in
table 5-2.
User Scalar Module

Click the Initial Conditions [IC] tab to see the Initial Conditions Panel. See Control Panel-Initial Conditions
for details.
The Initial Conditions can be specified as constant values or read from a previously run solution file. If
constant values are specified then you must provide initial values required by the User Scalar Module.
The values are under the Scalar tab and a value must be set for every user scalar variable.
User Scalar Module

Click the Solver Control [SC] tab to see the Solver Control Panel. See Control Panel-Solver Control for
details.
The Solver Control panel provides access to the settings that control the numerical aspects of the CFD-
ACE-Solver and output options. The User Scalar Module is different than the other modules in that all of
the numerical controls are located on the Solver Control page under the Scalar tab.
197
Numerical Control Settings for User Scalar Variables

The mechanics of setting the numerical control parameters is the same for all four parameters (Solver,
Spatial Differencing, Under Relaxation, and Limits). Each parameter is displayed in its own region, and
the instructions below should be followed for every numerical control parameter:
You must set each user scalar’s numerical control parameters as follows.
1. In the Current Scalar field, type in the scalar number that you want to make current, or use the
2. For the current scalar, assign an evaluation method and/or values as appropriate.
The Solver Control section includes:
198
Modules

• Solver Control-Variable Limits
User Scalar Module

In the Solvers tab, you may select the linear equation solver to be used for each user scalar equation.
The default linear equation solver is the conjugate gradient squared + preconditioning (CGS+Pre) solver
with 50 sweeps and a convergence criteria is 0.0001. See Solver Selection for more information on the
different linear equation solvers available and Linear Equation Solvers for numerical details of the linear
equation solvers.
User Scalar Module

Under the Spatial Differencing tab you may select the differencing method to be used for the convective
terms in the user scalar equations. The default method is first order Upwind. See Control Panel-Spatial
Differencing Scheme for more information on the different differencing schemes available. Also see
Numerical Methods-Discretization for numerical details of the differencing schemes.
User Scalar Module

In the Under Relaxation region you may select the amount of under-relaxation to be applied for each of
the solved user scalar variables. See Numerical Methods-Under Relaxation for numerical details of how
The user scalar equations use an inertial under relaxation scheme and the default values are 0.2.
Increasing this value applies more under-relaxation and therefore adds stability to the solution at the cost
settings will have to be changed, usually by increasing the amount of under relaxation that is applied
although if the solution of the scalar equation is relatively simple, smaller values may be used to increase
the convergence rate. There are no general rules for these settings and only experience can be a guide.
User Scalar Module

Settings for minimum and maximum allowed variable values are in the Limits region. CFD-ACE+ will
ensure that the value of any variable will always remain within these limits by clamping the value.
User Scalar Module

Implementation-Model Setup and Solution-Output
There are no settings under the Output tab that affect the User Scalar Module. See Control Panel-Output
Options for details. All scalars and the associated diffusivity coefficients are output by default.
Summary Output
Under the Summary tab on the Solution Control page, select the summary information to be written to the
text based output file (modelname.out). Activating the User Scalar Module allows output of a scalar flux
summary in addition to the general summary output options. See Control Panel-Summary Output for
details on the general summary output options including boundary integral output and monitor point
output).
199
The scalar flux summary will provide a tabulated list of the integrated scalar flux (scalar unit-kg/s) through
each flow boundary (inlets, outlets, interfaces, etc.).
Graphical Output
These variables will then be available for visualization and analysis in CFD-VIEW. Activating the User
Scalar Module allows output of the variables listed:
Scalar Module Graphical Output
Variable Units
3
Density kg/m
Scalar Values scalar units
kg/m-s (for passive or general

Scalar
scalar)
Diffusivity 2
m /s (for poisson scalar)
User Scalar Module

CFD-VIEW can post-process the solutions. When you activate the User Scalar Module, the scalar fields
can be seen with surface contours and analyzed through the use of point and line probes. A complete list
of post processing variables available as a result of using the Scalar Module is shown in the table.
D_ScalarName Scalar Diffusion Coefficient kg/m-s

ScalarName Scalar Name -
The scalar flux summary written to the output file (modelname.out) is often used to determine quantitative
results. The scalar flux summary can also be used to judge the convergence of the simulation. Due to the
law of conservation of flux, the summation of all scalar flux into and out of the computational domain
should be zero (unless scalar sources or sinks are present). In the simulation a summation of exactly zero
is almost impossible, but you should see a summation that is several orders of magnitude below the total
scalar flux inflow.
User Scalar Module Frequently Asked Questions
How do I fix the value of my user scalar at a boundary?
Set the generalized boundary condition coefficients to:
a = 0, b = 1, c = desired value.
How do I fix the flux of my user scalar at a boundary?
200
Modules
Set the generalized boundary condition coefficients to:

a = 1, b = 0, c = desired flux.
User Scalar Module References
Versteeg, H.K. and Malasekera, W., 1995, "An Introduction to Computational Fluid Dynamics." John
Wiley & Sons Inc, New York, pp24.
Radiation Module
Radiation Module Introduction

The Radiation Module enables you to solve radiation problems. Electromagnetic radiation is emitted by all
substances due to the changes in the internal molecular and atomic energy states. The wavelength of
electromagnetic radiation ranges from very long radio waves to very short cosmic rays. The visible light is
in a narrow range from 0.4 - 0.7 µm and thermal radiation is in the infrared range. One important
difference between radiation and other modes of heat transfer is that radiation does not require a medium
as a carrier of energy. Also, for conductive and convective modes of heat transfer, the energy transfer is a
function of the temperature difference between the substances. On the other hand, the radiant energy
emitted by a substance is a function of the fourth power of the absolute temperature. Thus, the radiative
heat transfer becomes dominant at high temperatures.
Radiation heat transfer is very important in semiconductor applications. Basic models for radiative heat
transfer, like surface-to-surface, can be solved fairly easily. However, the more complex problems for
semiconductor applications that involve participating media, specular radiation, and thin film growth
require much more complex methods such as the Discrete Ordinates Method (DOM) and the Monte Carlo
method. CFD-ACE+ supports all of these methods. You can opt for one of the methods based on
considerations of computational speed and accuracy. The Radiation Module includes:
• Radiation-Applications
• Radiation-Features
• Radiation-Theory
• Radiation-Limitations
• Radiation-Implementation
• Radiation-Frequently Asked Questions
• Radiation-References
Radiation Module Applications
Rapid Thermal Processing and Rapid Thermal Chemical Vapor Deposition are two important applications
of radiation heat transfer in semiconductor systems. Radiative heat transfer is used to heat the wafers to
enhance deposition rates in many chemical vapor deposition (CVD) systems. The Radiation Module has
automotive applications in climate control and underhood cooling.
The Radiation Module can:
• Obtain surface temperatures of individual and stacked wafers
• Be used as a design tool to evaluate wafer temperatures and prevent damage to the wafers
during the manufacturing process
• Evaluate the change in growth rates of thin films with and without the effects of radiation heating
Radiation Module Features
The Radiation Module has the following features:
• Surface-to-Surface
201
• Discrete Ordinate Method (with gray or non-gray properties)

• Three Monte-Carlo Methods
• P1 Method
Radiative heat transfer problems can be solved by using one of the above mentioned methods. Even
complex problems can be handled using this capability. Heat transfer through translucent solids and
interference by thin films are notable examples of the use of this module to simulate complex problems.
Radiation-Theory
Radiation Module
Theory-Blackbody Radiation
A blackbody is a perfect emitter and absorber of radiation. Using quantum mechanical arguments, it has
been shown by Planck and later verified by experiments that the spectral distribution of emissive power of
a blackbody is given by (Azzam and Bashara, 1977):
(6-1)
where:
(6-2)
where:
Planck’s constant (6.6260755E-34

h =
Jsec)
Boltzmann’s constant (1.380658E-23

k =
J/K).
λ is the wavelength of radiation, T is the absolute temperature and c is the speed of light. The above
equation is independent of the nature of the material emitting radiation. The figure below shows the
blackbody emissive power as a function of wavelength for different absolute temperatures. Two important
observations can be made from this figure: (1) the energy emitted at all wavelengths increases with
temperature; (2) the peak spectral emissive power shifts toward a smaller wavelength as the temperature
increases. Wien derived a relationship for wavelength at which maximum emissive power occurs, given
by
(6-3)
which is called the Wein’s displacement law. Integrating equation 6-1 over all the wavelengths results in
the Stefan-Boltzmann law given by
(6-4)
where σ is the Stefan-Boltzmann constant (5.669e-8 W/m K ).

2 4
202
Modules
Spectral Emissive Power of a Blackbody at Different Temperatures (Siegel and Howell)

The Planck’s spectral distribution gives the maximum intensity of radiation that any body can emit in a
vacuum at a given wavelength and temperature. The energy emitted in a wavelength band required for
the non-gray calculation is obtained by calculating the area under the Planck’s curve. The fractional
energy emitted in a wavelength band can be obtained analytically using a series approximation
developed by Chang and Rhee:
203
(6-5)
where:
(6-6)
Radiation Module
Theory-Radiation Properties
All real substances do not absorb or emit as blackbodies. The emissive power of an arbitrary surface at
temperature T to the hemispherical region above it is given by:
(6-7)
where ε is the (hemispherical) emissivity of the surface which varies between 0 and 1. The emissivity is in
general a function of the material, condition of the surface (rough or polished), the wavelength of the
radiation and the temperature of the surface.
The monochromatic emissive power of a surface is given by:
(6-8)
where ε λ is called the monochromatic hemispherical emissivity. The emissivity and monochromatic
emissivity are related by the following equation:
(6-9)
When radiation is incident on a surface, some of the energy is absorbed, some of the energy is reflected
and some of the energy is transmitted. This behavior is characterized by: absorptivity (α), defined as the
fraction of incident energy that is absorbed; reflectivity (ρ), defined as the fraction of energy reflected;
and transmissibility (τ) defined as the fraction of energy transmitted. Clearly, the sum of these quantities
is unity, i.e.
204
Modules
(6-10)
For an opaque surface, the transmissivity is 0 and hence
(6-11)
Kirchhoff’s law states that at thermal equilibrium, the emissivity of a surface is equal to the absorptivity,
i.e.
(6-12)
Combining the above two equations:
(6-13)
Radiation Module
Theory-Radiation Characteristics of Gases
The absorption and emission characteristics of gases depend on the thermodynamic state of the gas. In
general gases absorb and emit only in narrow wavelength bands and hence most of the gases are not
gray. Fortunately, many gases are relatively transparent to thermal radiation in temperature ranges of
common engineering problems, and their presence can be ignored (non-participating media). However,
certain gases (combustion products) participate in radiative transport even at relatively low pressures and
temperatures. The gases which have these low temperature radiation characteristics are similar, in that
the constituent molecules are non-symmetric and polar. These gases include CO 2 , H 2 O, CO, SO 2 and
many hydrocarbons.
Often, the data on radiative property of gases is presented in terms of emittance (ε g ). But the absorption
coefficient is needed to solve the radiative transfer equation. To obtain the absorption coefficient from the
emittance data, the following formula can be used:
(6-14)
where L m is the mean beam length which may be calculated (for optically thin gas radiating to its entire
boundary) as:
(6-15)
where V is the volume of the enclosure and A is the area of the boundaries.
Radiation Module
Theory-Radiative Transfer Equation (RTE)
The integro-differential radiative heat transfer equation for an emitting-absorbing and scattering gray
medium can be written as:
205
(6-16)
where Ω is the direction of propagation of the radiation beam, I is the radiation intensity which is a
function of both position (r) and direction (Ω), κ and σ are the absorption and scattering coefficients
respectively, I b is the intensity of black body radiation at the temperature of the medium and Φ is the
phase function of the energy transfer from the incoming Ω' direction to the outgoing direction Ω. The term
on the left hand side represents the gradient of the intensity in the specified direction Ω. The three terms
on the right hand side represent the changes in intensity due to absorption and out-scattering, emission
and in-scattering respectively. The heat transfer is schematically shown below.
Radiative Heat Transfer in an Emitting-Absorbing and Scattering Gray Medium

The boundary condition for solving the above equation 6-16 may be written as:
(6-17)
where I is the intensity of radiant energy leaving a surface at a boundary location, ε is the surface
emissivity, ρ is the surface reflectivity, and n is the unit normal vector at the boundary location.
Theory-Solution Method
Radiation Module
Theory-Solution Method Introduction
A number of numerical techniques are available for solving the radiative transfer equation. The following
methods have been implemented in CFD-ACE+ for the solution of the radiative heat-transfer equation.
The Solution Method section includes:
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Modules
• Solution Method-Surface-to-Surface
• Solution Method-Discrete Ordinate Method
• Solution Method-Monte-Carlo Method
• Solution Method-Monte Carlo Raytracing
• Solution Method-Patch Definitions
• Solution Method-Radiative Properties
Radiation Module
Theory-Solution Method-Surface-to-Surface Method
If the optical thickness of the participating medium is very thin the right hand side of equation 6-16 is zero.
The solution technique is very similar to the YIX method (Tan and Howell, 1990).
(6-18)
The integral formulation of the above equation is:
(6-19)
where:
= the blackbody emission power
σ = the Stefan-Boltzmann constant
qs, = the surface radiation flux
= the radiosity
n and n' are normal at r and r',

respectively
The kernel, K , is defined as:
where υ is the visibility function defined as:
Equation 6-19 can be written as:
207
(6-20)
where:
the location hit by the ray

= emitted from r in the Ω
direction.
The angular integral on the right hand side of equation 6-20 can be replaced by numerical quadrature of
the form:
(6-21)
where θ is the angle between the normal and Ω and M is the number of angular integration points. Then
the discrete form of equation 6-20 is:
(6-22)
where is the hit point of the ray emitted from in Ω j
Solution Method-Discrete Ordinate Method
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-Introduction
Two different approaches are available in CFD-ACE+ for the solution of Radiative Transfer Equation
(RTE) in general participating media. These are the Sn Discrete Ordinate Method (SnDOM) (see
Fiveland, 1988) and the Control Angle Finite Volume Method (CAFVM) (see Raithby and Chui, 1990;
Chai et al., 1994), and are collectively referred to as discrete ordinate methods in CFD-ACE+. A detailed
description of the implementation of these methods for multi-dimensional radiation in unstructured grids in
the context of CFD-ACE+ is available (Vaidya, 1992).
The Sn quadrature schemes available in CFD-ACE+ are: S4, S6, S8, and S12. The number of ordinate
directions used in the radiation computations when using the above schemes are, respectively, 24, 48,
80, and 168 in three-dimensional problems, and one half of those in the case of two-dimensional
problems with or without axisymmetry.
In CAFVM, since the computational directions can be user specified, it requires the specification of the
number of cells N and N in the polar and azimuthal directions, respectively, in the discretization of a unit
sphere (Figure 1).
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Modules
Figure 1: Unit Sphere discretization in CAFVM
Note that the user specified and are taken to refer to the total number of control cells in the
discretization of a full unit sphere. The spherical coordinate extents and the total number of directions
used in the computations are:
• 3D:
Total number of computed directions =
• 2D:

In the discrete ordinate method, equation 6-16 and equation 6-17 are replaced by a discrete set of
equations for a finite (specified) number of ordinate directions. The integral terms on the right hand side of
equation 6-16 is approximated by a summation over each ordinate. The discrete-ordinate equations may
then be written as:
(6-23)
For the gray model, the subscript λ should be dropped from the above equation and ∆F becomes unity. In
the non-gray model, the radiative properties are assumed to be functions of wavelength only. For strongly
participating media such as combustion products, in addition to the wavelength dependence, the radiative
209
properties are functions of local temperature, pressure, and composition of the gas. Hence, the radiative
properties need to be calculated using either narrow-band or wide-band models and they should be
provided as input to this model.
This section includes:
• Discrete Ordinate Method-Wall Boundary
• Discrete Ordinate Method-Symmetry Boundary (specular reflection)
• Discrete Ordinate Method-Inlet and Exit Boundary
• Discrete Ordinate Method-Conjugate Heat Transfer
• Discrete Ordinate Method-AAQ Model
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-Wall Boundary
For an adiabatic wall condition, the wall temperature is calculated by balancing the radiative and
conductive heat flux.
(6-24)
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-Symmetry Boundary (specular reflection)
(6-25)
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-Inlet and Exit Boundary
(6-26)
where T i is the cell center temperature adjacent to the boundary.

In the above equations, m and m' denote the outgoing and incoming directions, respectively. For a
direction m, w m represents the associated weight while α, β, and γ represent the direction cosines
corresponding to the x, y and z coordinates respectively. Equation 6-23 represents M coupled partial
differential equations for M intensities, I m .
In CFD-ACE+, the S 4 approximation, which considers 12 ordinate directions in two dimensions (24 in
three dimensions) was chosen. The selection of ordinate directions is not arbitrary but must satisfy the
symmetry and moment invariance constraints.
The in-scattering term on the right hand side of equation 6-23 contains the phase function Φ which is
dependent on the medium. In CFD-ACE+, the medium is assumed to be linearly anisotropic for which the
phase function may be written as:
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Modules
(6-27)
where a o is an asymmetry factor that lies between -1 and 1. The values -1, 0, 1 denote backward,
isotropic and forward scattering, respectively. In CFD-ACE+, the in-scattering term is evaluated explicitly
using the previous iteration values and hence the discrete-ordinate equations are de-coupled and the
equations are solved sequentially.
Equation 6-23 is numerically integrated over each control volume of the flow domain for each ordinate
direction 'm’ using techniques. (See Appendix C for details.)
Under conditions of local thermodynamic equilibrium, the net radiative heat source in a computational cell
is the difference between the energy absorbed and the energy emitted, given by:
(6-28)
where ∀ is the volume of the cell. This source term is added to the discretized fluid enthalpy equation.
This source term will be zero for a non-participating medium κ λ = 0.
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-Conjugate Heat Transfer
For conjugate heat transfer including radiation, the temperature of the gas-solid interface is required to
calculate the radiation intensity boundary condition. At the interface, the heat flux from both sides must be
continuous. i.e.
(6-29)
where K g and K s are thermal conductivities of the gas and solid, respectively. In discretized form, the
above equation may be written (for orthogonal grids) in terms of the interface temperature (T i ) as:
(6-30)
where:
(6-31)
and Q rad is the net radiative heat flux at the interface which is the difference between the radiative energy
absorbed and the energy emitted at the interface. The emission term in the above equation is linearized
to obtain a semi-implicit solution for the interface temperature. The net gain/loss of heat due to
absorption/emission is added as a source term to the energy equation on both sides of the interface as:
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(6-32)
For body-fitted-coordinate (BFC) grids, the approach is similar but includes non-orthogonal cross-terms.
For turbulent flows, the thermal conductivity of the gas in the above equation is replaced by an effective
thermal conductivity. The effective thermal conductivity is evaluated from wall functions for turbulent
momentum and thermal boundary layers.
At the interface between a transparent solid and gas, the above source terms are not included because it
is accounted by solving the discrete-ordinate equations in the transparent solid using the appropriate
absorption coefficient.
Radiation Module
Theory-Solution Method-Discrete Ordinate Method-AAQ Model
The AAQ model provides a more conservative formulation in calculating the incidence radiative flux on a
wall for body-fitted coordinate geometries. In the discrete ordinate approach, intensities are calculated
along pre-selected directions. Each selected direction accounts for radiation within a solid angle of W i
which is the weighting factor for direction i.
When calculating the incident flux on a wall, even though the representative ray may be along the
incoming direction, some of the rays within the included solid angle may not be along the incoming
direction. To account for this, a correction factor is applied to the calculated incident radiation flux. This
correction factor is calculated based on the fact that the summation of the solid angles associated with
the incoming rays must add up to π.
Solution Method-Monte Carlo Method
Radiation Module
Theory-Solution Method-Monte Carlo Method
The Monte Carlo Method is considered one of the most accurate methods for the calculation of radiative
heat transfer. This is because of its ability to treat all directions of radiative transfer in a continuous
fashion (rather than along discrete directions, as in the Discrete Ordinates Method), and its ability to
account for strong oscillations in the spectral radiative properties. In addition, it is the only method that
can treat non-diffuse reflection from walls.
Although the Monte Carlo Method can be used to predict radiative transfer in any scenario, this particular
model was developed with the semiconductor material processing industry in mind. Thus, its strength is
best realized for Rapid Thermal Processing and Rapid Thermal Chemical Vapor Deposition applications,
and in general, for simulation of radiative heat transfer in semiconductor processing applications.
In general, the radiative transfer equation can be solved using the Monte Carlo approach by tracing
photon bundles (or rays) through discrete control volumes, and by accounting for the various events
(absorption, emission and scattering) occurring within each control volume. Such volumetric raytracing,
however, is prohibitively expensive. Furthermore, thin films cannot be modeled using this approach
because thin films grown by CVD are often a few microns thick, while the reactor dimensions are in the
order of tens of centimeters. Typically, CVD reactors operate at low pressure. Quite often, more than 80%
of the gas mixture in the reactor is comprised of an inert gas such as argon. Under these circumstances,
it is justifiable to assume that the gas within the reactor is non-participating. In the absence of
participating gases, the energy of a ray remains unchanged as it passes through the gas and therefore,
the solution to the radiative transport equation reduces to energy exchange between surfaces.
Participating solids can be treated by invoking the McMahon approximation, and by lumping the effect of
the solid volumes to the surface (i.e., boundary conditions). The exchange of energy between the various
radiatively active surfaces (so called patches) may be described by the following equation:
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(6-32)
where:
= Heat Flux (w)

2
= Heat Flux density (w/m )
2
= Area (m )
= Kronecker delta
= Emissivity of Patch j
Radiation exchange matrix (fraction of radiation emitted by patch i and

=
absorbed by patch j
-8 2 4
= Stefan-Boltzmann constant (5.669 x 10 W/m k )
= Average temperature of patch j (K)
Radiation Module
Theory-Solution Method-Monte Carlo Raytracing
In a Monte Carlo raytracing scheme, rays are emitted from a surface and traced until they are absorbed
by the same surface or any other surface. The emission, absorption, reflection or refraction of the ray
depends on the radiative properties of the surfaces on which the ray strikes, and certain stochastic
relations (see (Modest, 1993) and (Mazunder and Kersch, 2000)).
Radiation Module
Theory-Solution Method-Patch Definitions
In principle, it is possible to define each boundary cell face as a patch. This, however, leads to two
problems. The end result of Monte Carlo raytracing is the radiation exchange matrix R ij . This matrix has a
size N p X N p , which implies that for a simple problem involving 1000 boundary cell faces, one would need
6
to store 10 real numbers. This is prohibitive, and not feasible for practical problems. The second problem
is that some boundary cell faces may be extremely small. This will results in collection of very few rays, if
at all. The solution for these cells will, thus, be very poor statistically. In order to circumvent this problem,
boundary cell faces are grouped in to so-called patches. A patch is a group of faces which have
identical radiative properties, have the same temperature, and can only consist of cell faces that
are adjacent to each other. From this definition, the following conclusion may be drawn, and should be
kept in mind while defining patches.
1. Two cell faces cannot be grouped together to form a patch if their radiative properties are not the
same, even if all the other criteria are met.
2. The cells that are grouped together to form a patch must be adjacent to each other. The
assumption is that the radiative heat flux on the patch is uniform on each of the cell faces
belonging to the patch, its value being the average flux. If two cell faces are not adjacent and at
completely different geometric locations, the radiative fluxes on them cannot be equal because of
different view factors associated with them, and the assumption of uniform heat flux on them is,
by definition, violated.
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3. The third criteria is that the temperature in each of the cell faces belong to a given patch must be
the same. Isothermal walls fit this criteria without any problem. Other surfaces (prescribed flux or
conjugate surfaces) will not necessarily fit this criteria. The criteria can be relaxed by assuming
that the temperature on the cell faces is more or less uniform, and is represented by an average
temperature.
In the Monte Carlo Model, patches are created by specifying how many sub-patches each boundary face
should be divided into. The sub-patches are then created so as to be at approximately equal number of
cell faces. For example, if a user is performing MC calculations for radiative heating of a wafer and is
interested in heat flux distributions on the wafer, the wafer surface should be divided into sub-patches
sufficient to resolve the expected variation in heatflux.
The larger the area of a patch, the more rays it will collect, and the better will be the statistical accuracy of
the solution. Thus, while specifying more patches will resolve variations in heat flux, it may result in poor
solution accuracy unless the number of rays (and computational cost) is increased as well. Successful
use of the Monte Carlo module involves a careful compromise between accuracy and computational
effort.
Radiation Module
Theory-Solution Method-Radiative Properties
Since the Monte Carlo model performs high accuracy spectral radiation calculations, high resolution
spectral radiative properties are required to exploit the strength of the model. Such property data is not
always easy for the user to provide. To circumvent this problem, CFD-ACE+ computes spectral radiative
properties of commonly prevalent materials from first principles (using the theory of geometrical optics
and electromagnetic radiation).
These computations employ the complex refractive index of the material in question. These optical
properties are stored in a database. Available materials are Silicon, Silicon Dioxide (common window
glass), Tungsten, and Liquid Water. In addition, for gray opaque surfaces, you can specify the surface
emissivity directly. For details on calculation of radiative properties of surfaces, see (Azzam and Bashara,
1977) in References.
For optical properties of materials, see (Palik, 1985) in References.
Radiation Module
Theory-Solution Method-P1 Method
In this method, instead of directional discretization, it is assumed that the intensity can be expanded as an
infinite series of Legendre polynomials of increasing order. The idea is derived from the fact that solution
of an eigenvalue problem in spherical coordinates results in Legendre polynomials as the eigenfunctions.
The series, when substituted into the RTE and manipulated, results in a set of coupled diffusion-like
equations. When only the leading term in the series is retained (i.e., N = 1 in the expansion), the result
is a single Helmholtz equation, the equation, which is written as:
(1)
subject to the boundary condition:
(2)
where is the emissivity of the boundary surface having surface normal . The quantity
is also known as the spectral extinction coefficient. The quantity is known as the
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spectral integrated intensity or incident radiation, and is defined as . is the

so-called blackbody emissive power. In deriving equation 1 from the governing RTE, isotropic scattering
has been assumed. Equation 1 is solved in CFD-ACE+ using the standard finite-volume
technique. The boundary condition shown in equation 3, which is of the third kind, is implemented in a
manner similar to Newton cooling boundary conditions in the heat module.
Coupling to Overall Energy Equation
The divergence of the radiative heat flux appears as a sink in the overall energy transport equation. Once
has been obtained by solving equation 1, the divergence in the radiative heat flux can be computed
using the following relation:
(3)
where is the radiative heat flux vector. Of practical interest is also the radiative heat flux normal to any
surface. This may be written as
(4)
Treatment of Non-Gray Radiation: The Stepwise Gray Model
Equations 3 and 4 clearly suggest that calculation of the radiative heat flux and the source in the energy
equation requires solution of the RTE for all wavelengths followed by a spectral integration.
In the case where radiation transport is assumed to be wavelength independent (or GRAY), equation 1 is
solved only once, in which is replaced by .

In the NON-GRAY case, special treatment of equation 1 is necessary. Integration of equation 1 over the
entire spectrum yields
(5)
In the step-wise gray model, the spectrum is first split into discrete spectral intervals termed bands. Within
each band, , the radiative properties (i.e., , , ) are assumed to be constant. Under this
approximation, equation 5 may be re-written as a set of gray equations:
(6)
where and are the extinction and absorption coefficients of the -th band, respectively. The total
number of bands is denoted by . The quantities and represent the incident radiation and
215
blackbody emissive powers within the -th band, respectively. Following a similar procedure, equations 3
and 4 may be written in discrete form as:
(7)
and
(8)
The equations represented by equation 6 are solved in CFD-ACE+ for the non-gray case, and equations
7 and 9 are finally used to compute the net radiative heat fluxes.
Radiation Module Limitations
The Surface-to-Surface model does not account for any participating medium, hence radiation through
semi-transparent solids cannot be handled. It does not work with cyclic boundary conditions.
The Discrete Ordinate Method has problems with specular radiation. The ordinate set implemented in
the Radiation module is symmetric only about the x, y and z coordinate axes. Therefore, the specular
reflection boundary condition (used for symmetry) is accurately imposed only for boundaries that are
aligned with the coordinate axes. It is not very accurate for optically thin media.
The spectral distribution is subdivided into a finite number of bands within which the properties are
assumed uniform. In actuality these properties are not uniform and this can lead to inaccuracies. The
radiative properties are also highly dependent on the wavelength of the light. Since uniform properties are
assumed in a spectral band this can also lead to inaccuracies in the solution.
The Monte Carlo Method cannot treat radiative transfer through participating gases. It can only treat
participation in solids. Arbitrary interfaces work with Monte Carlo radiation only if they are used at fluid-
fluid boundaries. It does not support interfaces between two semitransparent solids. Also, it is slow
compared with the other radiation models in CFD-ACE+ and should be used only for cases where its
features are necessary. The Monte Carlo Method cannot be used with thin walls.
Radiation-Implementation
Radiation Module
The Implementation section describes how to setup a model for simulation using the Radiation Module.
• Model Setup and Solution - Describes the Radiation Module related inputs to the CFD-ACE-
Solver
Radiation Module
The Radiation Module can be applied to any geometric system (3D, 2D planar, or 2D axisymmetric).
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Radiation Module
CFD-ACE+ provides the inputs required for the Radiation Module. In addition, a <modelname>.PATCH
file is required to define the radiative properties of the various patches. Model setup and solution requires
• MC Model Requirements
• Problem Type
• Model Options
• Data
• Solver Control
• Output
Radiation Module
Implementation-Model Setup and Solution-MC Model Requirements
The Monte Carlo model computes radiative properties from first principles. In addition, it also allows
surfaces of many different reflection characteristics (i.e. diffuse, specular, partially specular). It can also
account for coatings on surfaces. Thus, specifying radiative properties in this model is not a simple matter
of specifying emissivities and reflectivities.
Patch File
In the current setup, we employ a simple ASCII file to setup and input these properties. The file must be
named <modelname>.PATCH, and must reside in the working directory. See What do the contents of a
Patch File look like?.
Optical Database File
The substrate material name is used to fetch its optical properties. The properties stored in the optical
database are used to compute the complex refractive indices of materials as a function of its temperature.
See What is the Optical Database File?
Radiation Module
details.
Select Radiation to activate the Radiation Module. The Radiation Module can work with any of the other
modules in CFD-ACE+.
The Heat Transfer Module is required to be activated whenever the Radiation Module is in use. See Heat
Transfer Module for details about the Heat Transfer Module.
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Radiation Module
details. The Model Options section includes:
• Model Options-Radiation (Rad)
• Model Options-Model Selection
There are no settings under the Share tab that affect the Radiation Module.
Radiation Module
• Model Options-Radiation (Rad)
• Model Options-Model Selection
There are no settings under the Share tab that affect the Radiation Module.
Radiation Module
Implementation-Model Setup and Solution-Model Options-Radiation (Rad)
Most of the model options for the Radiation Module are located under the Radiation (Rad) tab (note that
additional options for the Discrete Ordinates Method are under the Advanced (Adv) tab which will be
described later).
Model Options Panel in Radiation Mode
Radiation Module
Implementation-Model Setup and Solution-Model Options-Model Selection
In the pull-down menu, there are three options for you to choose a desired radiation model: Discrete
Ordinate Method (default), Surface to Surface, and Monte Carlo.
When you choose the Monte Carlo method, the panel changes as shown below. The number of rays that
you want to trace must be specified. The default is set at 100000. The accuracy of the Monte Carlo
solution is directly related to the number of rays you trace. A good rule of thumb is to use 1000 rays per
patch.
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Model Options Panel in Monte Carlo Radiation Mode

The Monte Carlo raytracing, being an expensive calculation procedure, cannot be performed for every
iteration of the energy equation. Instead it is performed every hundred or so iterations. For example, if
you have set up a case for 500 iterations, it may be enough to perform 5 MC updates during the whole
run. This means that the Solution Skipping Frequency will be 100. This should be prescribed in the next
panel. In some cases, only one MC calculation may be sufficient. An example would be a case where all
boundaries are isothermal, and you are interested in the radiative heat flux on the various surfaces. For
transient problems, performing MC updates once may also be a good option.
In CFD-ACE+ MC calculations are performed using two kinds of statistical formulations. The Pseudo MC
approach employs pseudo random numbers from a uniform deviate, while the Quasi MC approach uses
numbers drawn from the Halton sequence. The Quasi MC approach gives slightly more accurate
solutions for fewer number of rays, and is therefore, the default option. However, it has some limitations --
it does not work well for cases involving a number of highly reflective surfaces.
Radiation Module
Implementation-Model Setup and Solution-Model Options-Advanced
When you select the Discrete Ordinate Method (see Model Options-Model Selection) for radiation
computations, additional options for choosing specific discrete ordinate computational approaches are
available in the Advanced (Adv) tab of the Model Options panel. These options are presented in the
Radiation subpanel of the Advanced tab under Discrete Ordinate Method Options.
In the pull-down menu for Discrete Ordinate Method selection, two choices are available: SnDOM and
CAFVM. These refer to the Sn Discrete Ordinate Method (SnDOM) and the Control Angle Finite Volume
Method (CAFVM), collectively termed simply as discrete ordinate methods. These options are discussed
below.
SnDOM
When you make a choice of SnDOM as the Discrete Ordinate Method, the panel appears.
In the pull-down menu, specic quadrature schemes of the Sn discrete ordinate method can be selected.
These quadrature schemes are: S4, S6, S8, and S12. The number of ordinate directions used in the
radiation computations when using the above schemes are, respectively, 24, 48, 96, and 168 in three-
dimensional problems, and one half of those in the case of two-dimensional problems with or without
axisymmetry. The default scheme is S4. Higher-order schemes such S8 and S12 are particularly more
demanding on computational resources because of the increased number of directions that need to be
stored and solved.
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Figure 1: Discrete Ordinate Method Selection in SnDOM mode

CAFVM
When you select CAFVM as the Discrete Ordinate Method, the panel appears as below.
In CAFVM, since the computational directions can be user specied, it requires the specication of the
number of cells N and N in the polar and azimuthal directions, respectively, in the discretization of a unit
sphere. Note that the user specied N and N are taken to refer to the total number of control cells in the
discretization of a full unit sphere. The spherical coordinate extents and the total number of directions
used in the computations are:
• 3D:
• 2D:
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Figure 2: Discrete Ordinate Method Selection CAFVM mode
Model Setup and Solution-Data
Radiation Module
Implementation-Model Setup and Solution-Data-Introduction
When you select the Discrete Ordinate Method (DOM) or the Surface to Surface model, you must specify
the related radiative property data. Click the Define Radiation Model Data button or select Radiation
Models from the Models menu. The Radiation Model window appears.
221
Radiation Model Window

The radiation model window has tabs for each of the settings:
• Wavelengths
• Emissivity settings
• Transmissivity settings
• Absorption Coefficient settings
• Radiation Sources
The Model Setup and Solution Data Section includes:
• Data-Discrete Ordinate method (DOM)
• Data-Surface-to-Surface Method (STS)
• Data-Wavelengths
• Data-Emissivity Sets
• Data-Absorption Coefficient Sets
• Data-Radiation Sources
Radiation Module
Implementation-Model Setup and Solution-Data-Discrete Ordinate Method (DOM)
If you select the Discrete Ordinate Method, the Radiation Model window appears.
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Radiation Model Settings for DOM Method

You will be able to choose whether you want to use the DOM method in the gray (wavelength
independent properties) or non-gray (wavelength dependent properties) mode. If you activate Non-Gray,
you will be required to input the number of wavelength bands to be used for radiative property
specification. See Wavelengths for details on how to define the wavelength bands.
You will also be able to choose how many unique emissivity sets and absorption coefficient sets to use
for radiative property specification. Usually each unique surface in the simulation will require a unique
emissivity set and each unique solid or fluid volume will require a unique absorption coefficient set. See
Emissivity Sets and Absorption Coefficient Sets for details on entering these radiative properties.
Radiation Module
Implementation-Model Setup and Solution-Data-Surface-to-Surface Method (STS)
If you select the Surface-to-Surface method, the Radiation Model window appears.
223
Radiation Model Window for STS Method

You will be able to choose the accuracy level of the method. The choices are: Low, Moderate, High, and
Extremely High. The default method is Moderate and is usually acceptable for most simulations.
Each higher level of accuracy adds almost an order-of-magnitude to the computational time, while the
actual increase in solution accuracy may only be 10%. For this reason you should refrain from increasing
the accuracy setting unless absolutely necessary.
The Sub-iteration setting enables you to determine how many times the STS method is called for each
solver iteration. The default setting is 1 and is usually sufficient. In some cases, increasing this value can
increase the overall convergence rate of the simulation but it will not change the solution.
The Environment Temperature setting is used if any of the surfaces can see outside of the computational
domain. This may happen if the domain is not closed, or some surfaces are transparent, or some surface
have their surface normal pointing outward. In any case, the surfaces that can see outside of the
computational domain will be exchanging radiative heat transfer with a black body at the environment
temperature. The default value is 300 K. If you want no radiative exchange with the outside world then
you can set the environment temperature to 0 K.
The Radiation Sources feature enables you to model point radiation sources. Once this feature has been
activated, you will be able to specify the number of radiation sources that are present. A radiation source
can be used to model solar radiation. See Radiation Sources for details on inputting the radiation source
parameters.
You can also choose how many unique emissivity sets and transmissivity sets to use for radiative
property specification. Usually each unique surface in the simulation will require a unique emissivity set
and a unique transmissivity set. See Emissivity Sets and Radiation Sources for details on entering these
radiative properties.
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For the radiation module with STS model, when the restart option is checked in the OUT tab, a *_sts.rst
file is created at the end of the solution. This *_sts.rst file consists of all the intermittent data required to
calculate the form factor. In reality, the time required to calculate this data is too huge. When the user
wants to restart the DTF, the solver directly reads this *_sts.rst file from the working directory and the time
to recalculate the intermittent data is saved and the process becomes faster. In the absence of an
*_sts.rst file at the time of restart, the solver writes a warning message in the out file that the *_sts.rst is
not available and will continue to run by generating the file again.
Radiation Module
Implementation-Model Setup and Solution-Data-Wavelengths
If the Discrete Ordinate Method (DOM) has been selected and non-gray radiative properties has been
activated (see Discrete Ordinate Method), then the Wavelengths tab will become active.
Radiation Wavelengths Settings

The Wavelengths panel lets you define the wavelength bands (in µm) that will be used for setting non-
gray radiative properties (see Emissivity Sets and Absorption Coefficient Sets for details on the how to
specify these properties). You will seen n+1 inputs, where n is the number of bands (n) that you specified
on the Model page. The first entry is always 0 microns, and the last entry is always infinity. You define the
bands by inputting the cutoff between each band. For example, the inputs shown in the figure above will
produce the following three bands:
Note: The number of bands (n) must represent the lowest common denominator of the non-gray radiative
properties needed for your particular simulation. This includes emissivity and absorption coefficient
properties. For example if you have several materials in your model and their wavelength dependent
emissivity and absorption coefficient values are as shown below you will need four bands (even though
no single wavelength dependent property requires more than three bands).
225
Example of Non-Gray Property Banding
Data-Emissivity Sets
Radiation Module
Implementation-Model Setup and Solution-Data-Emissivity Sets-Introduction
Emissivity data is required for both the DOM and STS methods. The approach is slightly different
depending on whether the gray or non-gray property option is selected. The Data Emissivity Sets section
includes:
• Emissivity Sets-DOM (gray) and STS Methods
• Emissivity Sets-DOM (non-gray) Method
Radiation Module
Implementation-Model Setup and Solution-Data-Emissivity Sets-DOM (gray) and STS Methods
If you have not activated the non-gray option, the panel will appear for the STS method and for the DOM
method as:
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Modules
Radiation Window-Emissivity Settings for STS and DOM (gray) Methods

The Emissivity Set field allows you to select which emissivity set’s properties are currently displayed in
the panel. The total number of emissivity sets was determined on the Model page (see Discrete Ordinate
Method (DOM)).
For each emissivity set, you may give a name and a value. The name will be used later when assigning
radiative properties to boundary conditions. See Boundary Conditions for details. The value is the total
hemispherical emissivity and must range between 0 and 1. Since this panel is for gray property settings
the emissivity value will be the same for all wavelengths (i.e., Band 1 = 0 - ∞ µm).
Use material names for the set names. This will make it much easier to determine which set to apply to
each boundary condition.
Radiation Module
Implementation-Model Setup and Solution-Data-Emissivity Sets-DOM (non-gray) Method
If you are using the non-gray DOM method, the emissivity panel will look similar to that shown.
227
Radiation Model Window-Emissivity Settings for DOM (non-gray) Method

The Emissivity Set field enables you to select which emissivity set’s properties are currently displayed in
the panel. The total number of emissivity sets was determined on the Model page (see Discrete Ordinate
Method (DOM)).
For each emissivity set, you may give a name and wavelength band dependent values. The name will be
used later when assigning radiative properties to boundary conditions (see Boundary Conditions). The
value is the total hemispherical emissivity and must range between 0 and 1.
Since this panel is for non-gray property settings the emissivity value may be different for each
wavelength band. The total number of bands was determined on the Model page (see Discrete Ordinate
Method (DOM)) and each band’s wavelength range was determined on the Wavelengths page (see
Wavelengths).
each boundary condition.
Data-Absorption Coefficient Sets
Radiation Module
Implementation-Model Setup and Solution-Data-Absorption Coefficient Sets-Introduction
Absorption Coefficient data is required for both the DOM and STS methods. For the STS method,
absorption coefficient is only used as a switch to determine if a volume condition is opaque or
transparent. For the DOM method, the absorption coefficient is used to determine if a volume condition is
opaque, transparent, or semi-transparent. The approach is slightly different depending on whether the
gray or non-gray property option has been selected. The Absorption Coefficients section includes:
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• Absorption Coefficients-STS and DOM (gray) Method

• Absorption Coefficients-DOM (non-gray) Method
Radiation Module
Implementation-Model Setup and Solution-Data-Absorption Coefficient Sets-STS and DOM (gray)
The Radiation Model-Absorption Coefficient window appears for the STS method and for the DOM
method if the non-gray option is not activated.
Absorption Coefficient Settings for the DOM (gray) Method

The Absorption Coefficient Set field allows you to select which absorption coefficient set’s properties are
currently displayed in the panel. The total number of absorption coefficient sets was determined on the
Model page (see Discrete Ordinate Method (DOM)).
For each absorption coefficient set, you may give a name and a value. The name will be used later when
assigning radiative properties to volume conditions (see Volume Conditions). For transparent media the
value will be 0, for semi-transparent media the value will be greater than 0, and for opaque media the
value should be set to -1. Since this panel is for gray property settings the absorption coefficient value will
be the same for all wavelengths (i.e., Band 1 = 0 - • µm).
If the STS method is being used, then the only valid absorption coefficient settings are -1 (opaque) and 0
(transparent).
each volume condition.
Radiation Module
Implementation-Model Setup and Solution-Data-Absorption Coefficient Sets-DOM (non-gray)
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The Radiation Model-Absorption Coefficient window appears as below, if the non-gray DOM method is
activated.
Radiation Model Widow-Absorption Coefficient Settings for DOM (non-gray) Method

The Absorption Coefficient Set field enables you to select which absorption coefficient set’s properties are
currently displayed in the panel. The total number of absorption coefficient sets was determined on the
Model page (see Discrete Ordinate Method (DOM) ).
For each absorption coefficient set, you may give a name and wavelength band dependent values. The
name will be used later when assigning radiative properties to volume conditions (see Volume Conditions
). For transparent media the value will be 0, for semi-transparent media the value will be greater than 0,
and for opaque media the value should be set to -1.
Since this panel is for non-gray property settings the absorption coefficient value may be different for
each wavelength band. The total number of bands was determined on the Model page (see Discrete
Ordinate Method (DOM)) and each band's wavelength range was determined on the Wavelengths page
(see Wavelengths).
each volume condition.
Radiation Module
Implementation-Model Setup and Solution-Data-Radiation Sources
You can use Radiation Source by the STS method to model the effects of any point source radiation. This
is most often used to model solar radiation effects. If you activated Radiation Sources in the Model panel
(see Discrete Ordinate Method (DOM)), you will be able to press the Radiation Sources tab to see a
panel similar to that below.
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Radiation Model Window-Radiation Sources Tab

The Radiation Sources field enables you to select the radiation source’s properties that appear in the
panel. The total number of radiation sources was determined on the Model panel (see Discrete Ordinate
Method (DOM)).
For each radiation source, you need to give a direction and a intensity value. The direction is specified by
supplying a normal vector which states the direction from the radiation source to the model origin. The
radiation source itself is assumed to be located an infinite distance away from the origin. The intensity
2
value (W/m ) determines the intensity of the radiation source. (For solar radiation the intensity is usually
2
on the order of 700-800 W/m ).
The only way an external radiation source will see any of your computational boundaries is by one of
three situations; a surface boundary condition has it’s normal reversed to point outside of the domain, a
surface boundary condition is transparent, or the computational grid system is not closed.
Radiation Module
Conditions for details. Before any property values can be assigned, one or more volume condition entities
For MC radiation method, there is no need to specify any volume condition. But for DOM and STS
models, there are two volume condition settings available; Absorption Coefficient Set and Emissivity Set.
Absorption Coefficient Set
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Once you have selected one or more volume conditions, you may select a previously defined absorption
coefficient set (see Absorption Coefficient Sets) to use for that volume condition. This information is
needed for both the Surface-to-Surface method and the Discrete Ordinate Method. For the Surface-to-
Surface method, the absorption coefficient data is only used to determine if the material is opaque
(absorption coefficient = -1) or transparent (absorption coefficient = 0).
Emissivity Set
You may also select a previously defined emissivity set (see Emissivity Sets) to use for the volume
conditions. The emissivity set is only applied to opaque/transparent or opaque/semi-transparent volume
condition interfaces. At these locations the emissivity set from the opaque side will be used to determine
the emissivity of the opaque surface.
Radiation Module
Click the Boundary Conditions [BC] tab to see the Boundary Condition Panel. See Control Panel-
All of the general boundary conditions for the Radiation Module are located under the Radiation (Rad) tab
and can be reached when the boundary condition setting mode is set to General. Each boundary
condition is assigned a type (e.g., Inlet, Outlet, Wall, etc.). See BC Type for details on setting boundary
condition types. This section will discuss the implementation of each type with respect to the Radiation
Module.
The Radiation Module handles boundary conditions slightly differently than most of the other modules.
Because radiation is a ray based phenomena, a radiation boundary condition must be given for all of the
computational boundaries in the model. This means that even inlets and outlets must have radiation
boundary conditions.
The Boundary Conditions section includes:
• Boundary Conditions-Emissivity Set
• Boundary Conditions-Transmissivity Set
• Boundary Conditions-Surface Normal
• Boundary Conditions-Farfield
• Boundary Conditions-Surface Property
• Boundary Conditions-Radiation Temperature
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Emissivity Set
The emissivity set setting enables you to specify which previously defined emissivity set (see Emissivity
Sets) should be used for the computational surface. This setting is available for both the STS and DOM
methods and is also available for all boundary conditions (except for symmetry and interface).
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Transmissivity Set
The transmissivity set setting enables you to specify which previously defined transmissivity set (see
Radiation Sources) should be used for the computational surface. This setting is only used by the STS
method.
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Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Surface Normal
The surface normal setting is used only by the STS method. If the surface normal is set to Inward, then
the computational boundary is exchanging radiative information with the interior (volume) of the
computational system. If the surface normal is set to Outward, then the computational boundary is
exchanging radiative information with the external environment. The temperature for the external
environment can be specified in the Radiation Model panel (see Discrete Ordinate Method (DOM)).
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Farfield
This type of boundary condition is required only when the MC radiation method is selected and is to allow
external radiation, which is completely decoupled from conduction boundary conditions. For example, it
we wanted to simulate sunlight coming in through the roof, we can do that best by using a farfield
boundary condition. This would bring in radiation corresponding to the temperature of the sun, but
conduction fluxes would be based on a much lower (room) temperature. If a farfield BC is not used in this
case, one would have to prescribe a very high temperature on the roof itself to simulate radiation by the
sun. This will result is tremendous conduction fluxes, resulting in undesirable heating of the room.
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Surface Property
This type of boundary condition is available only to MC method. You are required to specify a string,
representing a surface property type (or patch type). The string is then used to fetch the actual radiative
properties from a patch file, which must be named <modelname>.PATCH, and must reside in the working
directory. The contents of the patch file are described in MC Model Requirements.
Radiation Module
Implementation-Model Setup and Solution-Boundary Conditions-Radiation Temperature
Radiation Temperature represents the radiation temperature of the boundary patch in question. It is used
only when MC radiation model is selected and it is necessary for two reasons. First, it serves as the initial
guess for property calculations (which are temperature dependent) and also serves as the initial guess for
the first MC calculation. After subsequent MC calculations, this temperature is replaced by the average
patch temperature that is calculated by solution of the overall energy equation. The radiation temperature
is also necessary for farfield boundary conditions, in which case, it serves as the temperature of the
farfield source, and is never updated.
If a wall or rotating wall boundary condition has it’s heat transfer subtype set to adiabatic, then the solver
will force the net heat flux (conduction+convection+radiation) to zero.
On a symmetry boundary condition all heat flux values (radiation, conduction, and convection) are forced
to zero.
Radiation Module
There are no Initial Condition settings required by the Radiation Module.
Radiation Module
Implementation-Model Setup and Solution-Solver Control
Click the Solver Control [SC] tab to see the Solver Control Panel. See Control Panel-Solver Control for
details.
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The Solver Control page allows access to the various settings that control the numerical aspects of the
CFD-ACE-Solver and all of the output options.
There are no general numerical control settings required by the Radiation Module. There are some
controls (sub-iterations and accuracy) for the Surface-to-Surface model which are accessible from the
Radiation Model panel (see Surface-to-Surface Method (STS) for details.)
Radiation Module
When the Monte Carlo Model is used, you can activate the "Spectral Properties” option. This will write to
the model.MC file, for all patches, the Spectral Surface Radiative Properties calculated using the
Electromagnetic Wave Theory and McMahon Approximation.
There are no settings under the Output tab for other radiation models.
Summary Output
Under the Summary tab, select the summary information to be written to the text based output file
(modelname.out). Activation of the Radiation Module allows output of a heat transfer summary in addition
to the general summary output options (see Summary Output for details on the general summary output
options including boundary integral output, diagnostics and monitor point output).
The heat transfer summary will provide a tabulated list of the integrated heat transfer (J/s) through each
of the thermal boundary (walls, inlets, outlets, interfaces, etc.). This summary will separate the heat
transfer due to radiation and the heat transfer due to conduction/convection.
Graphical Output
These variables will then be available for visualization and analysis in CFD-VIEW. Activation of the
Radiation Module allows output of the variables listed.
Radiation Module Related Graphical

Output
Variable Units
Radiative Wall Heat 2

W/m
Flux
Radiation Module
CFD-VIEW can post-process the solutions. When the Radiation Module is invoked, the temperature field
is usually of interest. The temperature field can be visualized with surface contours and analyzed through
the use of point and line probes.
The heat transfer summary written to the output file (modelname.out) is often used to determine
quantitative results. The heat transfer summary can also be used to judge the convergence of the
simulation. Due to the law of energy conservation, the summation of all heat transfer into and out of the
computational domain should be zero (unless heat sources or sinks are present). In the simulation a
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Modules
summation of exactly zero is almost impossible, but you should see a summation that is several orders of
magnitude below the total heat transfer into the system.
Radiation Module Frequently Asked Questions
Why do I have to specify absorption coefficient data for the Surface-to-Surface (STS) method?
The absorption coefficient data is the mechanism used to tell the Radiation Module whether a volume
condition (fluid or solid) is transparent or opaque. If the Radiation Module sees a volume condition with an
absorption coefficient value of -1 then it knows that the volume condition is opaque, likewise, if the value
is 0 then it know that the material is transparent.
How do I decide how many patches I must set up for MC method?
The answer to this question is not straightforward. It depends primarily on what you are seeking. In
general if you need to resolve surface radiative fluxes, you need more patches on that surface. This is a
perfect analogy with using finer grids in regions where you want to resolve gradients/scales in traditional
CFD analysis. Remember, the larger the patches, the better the statistical accuracy. So, do not use a
large number of small patches, if they are not necessary for what you are seeking. For example, if I am
interested in the average transient response of a wafer as it is heated, I will choose to make the whole
wafer surface a single patch. On the other hand, if I am interested in the center to edge nonuniformity in
temperature of the wafer, I will set a large number of patches on the wafer surface.
How many rays do I use in MC radiation model?
The number of rays to be used is determined by how many patches you have, whether you have surfaces
with strong non-gray properties, how many of these you have, the dimensionality of the problem (2D/3D),
and various other secondary factors. In general, for 2D 100,000 is a good number and for 3D 1 million is
reasonable, although in some cases larger numbers may be necessary. At the higher end, the gain you
will have by increasing number of rays will be very minimal, i.e., when you increase number of rays from
10000 to 20000, your solution accuracy may improve significantly, but when you increase by the same
number from 1000000 to 1010000, the solution may hardly change.
How many Monte Carlo updates should I use and how frequently should I use Monte Carlo
updates?
This depends on the problem at hand. If there are few non-isothermal patches, a couples of updates my
be sufficient. Typically, out experience has shown that a frequency of 100-200 iterations works best for
steady state runs. For transient runs, one or two updates in each time-step is typically sufficient, unless
your time-steps are very large.
What do the contents of a Patch File look like?
In the current setup, we employ a simple ASCII file to setup and input these properties. The file must be
named <modelname>.PATCH, and must reside in the working directory. Its contents look as follows:
WALL Name of surface property type
DUMMY Name of surface substrate material
SPECULAR Reflection Characteristic
GRAY Gray/Non-gray
0.15 Emissivity
---------------------------------------
WINDOW Name of surface property type
SIO2 Name of surface substrate material
DIFFUSE Reflection Characteristic
NONGRAY Gray/Nongray
ST Opaque/Semitransparent (only if Nongray)
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UNCOATED Coated/Uncoated (only if Nongray)

This particular example contains two surface property types (or patch types), and explanations are
provided for each of the strings/numbers. In general the following guidelines are to be followed while
setting up a surface property type (or patch type).
Line 1: Name of Property type. Do not exceed 16 characters for the name. The name typed here must be
exactly the same (including cases of individual letters) as the one typed in the Surface Property box under
the BC/RAD tab. The string must be continuous (no blank spaces), and can be any character available on
a standard computer keyboard.
Line 2: Substrate Material Name. If the surface is gray and opaque, any name can be used (for example
DUMMY is used in the example above) because it is never used. If the surface is
Nongray/Semitransparent, this line must be filled with an appropriate material name. The optical
properties corresponding to this material name will then be fetched from ESI CFDs optical database.
Line 3: Surface Reflection Characteristics. The options are SPECULAR, DIFFUSE and
PARTIALLY_SPECULAR. If PARTIALLY_SPECULAR is chosen, the next line must have a real number
representing the degree of specularity. For the other two options no other input is necessary.
Line 4 (Line 5 if Line 3 has PARTIALLY_SPECULAR): Spectral Characteristic. Options are GRAY and
NONGRAY (or NON-GRAY). If GRAY the next line must have a real number, representing the value of
surface emissivity. The surface is assumed opaque in this case, as well.
The next few lines are required only for the NONGRAY option.
Line 5 (Line 6 if Line 3 has PARTIALLY_SPECULAR): Transparency Characteristics. This option is only
required for Nongray surfaces (for gray surfaces, opacity is assumed). The options are OPAQUE or ST
(or SEMI).
Line 6 (Line 7 if Line 3 has PARTIALLY_SPECULAR): Coating Characteristics. Options are COATED or
UNCOATED.
The next few lines are required only for COATED.
Line 7 (Line 8 if Line 3 has PARTIALLY_SPECULAR): Number of layers in coating (integer input).
Line 8 (Line 9 if Line 3 has PARTIALLY_SPECULAR): Material name followed by a blank space followed
by the layer thickness in meters.eg. for a two-layered material, we have:
SIO2 1.0E-6
SILICON 4.0-7
Any line beginning with a dash (-) may be used as a separator between two surface property definitions.
Comments may be added to this line, if desired.
What is the Optical Database File?
As mentioned earlier, the substrate material name is used to fetch its optical properties. The properties
stored in the optical database are used to compute the complex refractive indices of materials as a
function of its temperature. The refractive index of a material is written as:
(6-34)
where:
= complex refractive index
n = real part of (refractive index)
k = imaginary part of (absorption index)
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Modules
i =
where n is the real part and k is the imaginary part of the refractive index. These indices are curve-fitted
for temperature as follows:
(6-35)
where
n = real part of refractive index
= coefficients for curve-fit
non-dimensional temperature, (T -
θ =
300)/1000
(6-36)
where
k = imaginary part of refractive index
= coefficients for curve-fit
The optical database contains a file, listing n0 through n3 and k0 through k3 in the following order:
n0 n1 n2 n3 k 0 k 1 k2 k 3
for sixty different wave numbers. The wave numbers are selected according to the formula
(6-37)
where
-1
= central wave number of i-th band (m )
C = 94.40608
This allows treatment of any radiation phenomenon between 300 and 5000K. The number sixty stems
from the fact that properties are not usually available at better resolution, and sixty was deemed an
adequate number.
In the event where the substrate material being used is not part of the optical database provided by ESI
CFD, the user would be required to input the n 0 through k 3 values in the form of an optical file. This file
must be named <modelname>.OPTIC, and must reside in the working directory. Its format has already
been described, and an example is shown below:
1 Number of Materials in File

TUNGSTEN Material Name
0.5 0.5 Irrelevant for ACEU, only for ACE
85.000 0.000 0.00 0.000 0.000E+00 0.999E+020 .000E+00 0.000E+00
n 0 through k 3 (sixty rows)
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When is P1 Radiation appropriate?

• The P1 model is invalid for non-participating medium. Mathematically, if goes to zero, the left
hand side of the P1 equation goes to infinity. Physically, in this model, radiation is modeled as a
diffusive process. This diffusion idea is valid only for optically intermediate-thick situations. If the
medium is optically very thin or non-participating, transport of radiation is ballistic, and a diffusion
model is invalid. CFD-ACE+ has been set up such that the model will also produce results for
non-participating medium (instead of giving division by zero!). However, these results may not be
always accurate.
• The P1 model is known to work best (see discussions in Radiative Heat Transfer, Second Edition,
Academic Press, M.F. Modest) in situations where the medium is hot and strongly
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Modules
emitting/absorbing. In situations where the medium is cold and most of the emission is from hot
boundaries, the model is not very accurate. Thus, from an application standpoint, the model is
expected to be quite accurate for combustion applications, but is not expected to be very
accurate for applications in semiconductor material processing, such as rapid thermal processing
and rapid thermal chemical vapor deposition.
• For cases in which the extinction coefficient, , is either too small or too large, the P1 equation is
very stiff, and convergence will be slow, if at all attainable. The model equation has best
convergence properties for intermediate optical thickness or extinction coefficient values.
Radiation Module References
Azzam, R., and Bashara, N., Ellipsometry and Polarized Light. New York: Elsevier Noth-Holland, 1977.
Fiveland, W.A., "Three Dimensional Radiative Heat-Transfer solutions by the Discrete Ordinates Method.”
Journal of Thermophysics and Heat Transfer. 2.4 (Oct 1988): 209-316.
Mazunder, S., and Kersch, A., "A Fast Monte Carlo Scheme for Thermal Radiation in Semiconductor
Processing Applications.” Numerical Heat Transfer 37.B (2000): 185-199.
Modest, M.F., Radiative Heat Transfer. McGraw Hill, 1993.
Palik, E., Handbook of Optical Constants of Solids. New York: Academic Press, 1985.
Siegel R., and Howell, J.R., Thermal Radiation Heat Transfer. 2nd ed. New York: Hemisphere, 1981.
Tan A., Wang, D., Srinivasan, K., and Przekwas, A.J., "Numerical Simulation of Coupled Radiation and
Convection for Complex Geometries." AIAA-98-2677, 1988.
Tan, Z., and Howell, J.R., "New Numerical Method for Radiation Heat Transfer in Nonhomogeneous
Participating Media.” AIAA J. Thermophys Heat Transfer 4 (1990): 419-424.
Cavitation Module
Cavitation Module Introduction

The Cavitation Module uses the full cavitation model (Singhal et al, 2001) (Athavale et al, 2000)
developed by ESI CFD. It allows multi-dimensional simulations of cavitating flows with phase changes in
low pressure regions. The model accounts for important effects such as bubble dynamics, turbulence,
and the presence and expansion of non-condensable gases in liquid.
In engineering flows, common performance indicators such as suction head, thrust, lift, and drag are all
functions of mass flow rate and pressure distribution. In many equipment engineering considerations,
increased noise level (due to cavitation) is also an acceptance/rejection criterion.
The Cavitation Module assists in answering three basic questions:
• Will cavitation occur in a given design?
• If cavitation is unavoidable, can the given design still function properly?
• If the given design is unsatisfactory, what are the ways to reduce or eliminate cavitation?
The cavitation model can predict performance parameters such as realistic distributions of pressures,
velocities and void fraction (i.e., volume fraction of vapor and non-condensable gases). The Cavitation
Module includes:
• Cavitation-Applications
• Cavitation-Features
• Cavitation-Theory
• Cavitation-Limitations
• Cavitation-Implementation
239
• Cavitation-Frequently Asked Questions

• Cavitation-References
Cavitation-Applications
Cavitation Module
Cavitation is a common problem for a myriad of engineering devices in which the main working fluid is in
a liquid state. Examples include turbo-pumps for rocket propulsion systems, industrial turbo-machinery,
hydrofoils, marine propellers, fuel injectors, hydrostatic bearings, shock absorbers, and biomedical
devices such as mechanical heart valves. The deleterious effects of cavitation include:
• Lowered system performance
• Load asymmetry
• Erosion and pitting of solid surfaces
• Vibration and noise
• Reduction of the life of the machine as a whole
There are also some desirable applications of cavitation:
• Washing machines
• Surgical procedures using power cutting with ultrasonic energy
• Liquid-solid separators
• Removal of organic contaminants from water (using cavitation to purify water)
• Ultrasonic cleaning
The Cavitation Module Applications section includes:
• Cavitation-Automotive/Hydraulic Applications
• Cavitation-Turbomachinery Type Problems
• Cavitation-Hydrofoil Type Problems
Cavitation Module
Applications-Automotive/Hydraulic Applications
Both vane and gerotor oil pumps have been studied with CFD-ACE+. These simulations use the
Cavitation Module in conjunction with rotating/deforming grids (Deformation Module) to accurately predict
the pressure profiles and mass flow rates through the device.
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Modules
Vane Oil Pump (4000 RPM) - Cavitation Inside Pumping Pockets
Vane Oil Pump (2000 RPM) - Pressure Profiles Without Cavitation Model (left) and With Cavitation
Model (right)
241
Effect of Cavitation on Volume Flow Rate

The model has also been used to solve for cavitating flow in a gerotor oil pump as shown below.
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Modules
Cavitation Inside Pumping Pockets (5000 RPM) of a Gerotor
Cavitation Module
Applications-Turbomachinery Problems
Turbomachinery applications also often require the use of the Cavitation Module. The figure below shows
results for an axial flow water pump. The second figure shows results for a centrifugal pump.
243
Axial Water Pump Results
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Modules
Centrifugal Pumps
Cavitation Module
Applications-Hydrofoil Problems
The Cavitation Module has been validated with numerous problems. Shown below are the results of a 2D
hydrofoil simulation along with comparison to experimental data.
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2D Hydrofoil Simulation
Cavitation Module Features
Numerical simulation of cavitation flows poses unique challenges both in modeling the physics and in
developing a robust numerical methodology. Computational Fluid Dynamics (CFD) analysis is
complicated by the large density changes associated with phase change. For example, the ratio of liquid
to vapor densities for water at room temperature is over 40,000. Typical density variations in engineering
flows are indicated below.
Density Ratios in Engineering Flows
Flow Type ρ max /ρ min
Buoyant Flows ~1
Transonic Flows ~2
Supersonic Flows ~ 10
Reacting Flows ~ 20
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Modules
Boiling/Condensating Flows ~ 200
Cavitating Flows ~ 10,000
The location, the extent, and the type of cavitation are strongly dependent on the pressure field, which is
strongly influenced by geometric detail and the motion of liquid and vapor phases. The cavitation region is
also influenced significantly by turbulence and presence of non-condensable gases. The current model
does not require an a priori prescription (or assumption) of the location or type of cavitating region.
Likewise, the phase change correlations have minimal empiricism; therefore, various flow conditions can
be simulated without adjusting any constants or functions.
The present model can be used to simulate flows with:
• Large liquid/vapor density ratios (~50,000)
• Highly turbulent conditions (due to high pressures, high mass flow rates, or high rotation speeds)
and,
• Non-condensable gases (e.g., Air, N2, or He) dissolved in or mixed within the liquid.
The model development has been guided by observations from:
• A large number of numerical investigations with various cavitation models used or developed at
ESI CFD over the past several years;
• A large number of experimental investigations and flow visualization studies presented in
international conferences and reported in literature.
Cavitation-Theory
Cavitation Module Theory
Introduction
When a liquid flows into a region where its pressure is reduced to vapour pressure, it boils and vapour
pockets develop in it. The vapour bubbles are carried by the flow field until they reach a region of higher
pressure, where they suddenly collapse. This process is called cavitation. If the vapour bubbles are near
to a solid boundary when they collapse, the forces exerted by the fluid rushing into the cavities create
very high-localized pressures that cause pitting of the solid surface. The phenomenon is accompanied by
noise and vibrations that have been described as similar to gravel going through a centrifugal pump.
The purity of the liquid in question and the amount of dissolved gases were found to influence the
cavitation process. For instance, bubbles in aerated water might withstand several pressure oscillations.
This was not observed for pure water.
Tests made on chemically pure liquids show that they would sustain high tensile stresses of the order of
mega Pascals. This is in contradiction to the concept of cavities forming when pressure is reduced to the
vapour pressure. It is hence generally accepted that cavitation is related to nuclei that enhance bubble
growth in low-pressure regions. The nature of nuclei is not thoroughly understood yet.
There are two categories of cavitation:
• Acoustic cavitation: Pressure waves travelling through a liquid at the speed of sound might cause
large pressure fluctuations, which might cause the liquid to boil and evaporate as indicated
above. The compressibility of the liquid, the change of liquid and gas properties with pressure
and gas volume fraction as well as the speed of sound all influence the cavitation process
• Hydrodynamic cavitation: Mainly occurring due to high speed turbulent flow detaching from the
surface and the related pressure reductions
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Cavitation generally causes several problems, such as:

• Reduction of useful channel space for liquid flow
• Load asymmetry
• Vibration and noise
• Reduction of machine life
There are also some desirable applications, such as:

• Washing machines
• Surgical procedures
• Liquid-solid separators
• Removal of organic contaminants from water
• Ultrasonic cleaning
Protection against cavitation or enhancing it when required should start with the system design.
Simulation techniques resolving the flow conditions in detail could provide a reliable means to predict the
susceptibility of the system to cavitate and support optimization efforts.
Simulation models are confronted by two types of challenges:
• Realistic modelling of several interdependent physical phenomena
• Robust numerical procedure for handling inherently steep variations in fluid density, due to very
large ratios of liquid, vapor, and gas densities, in conjunction with complex geometries, often with
moving parts
To meet such stiff requirements, the present authors have developed and reported the full cavitation
model, with implementation in the commercial code, CFD-ACE+. This model has been found to be quite
successful; i.e. capable of realistic predictions, without having to adjust empirical coefficients, for a wide
range of problems including automotive oil and water pumps, fuel injection systems, high performance
rocket turbo-machinery, and biomedical devices with high-frequency piezoelectric motion.
The full cavitation model accounts for all of the first-order physical effects, including liquid-vapour
changes, turbulence, surface tension, presence of non-condensible gases, thermal effects and liquid
compressibility.

Flow Field and Turbulence
The basic approach consists of using the standard viscous flow equations for variable fluid density and a
conventional turbulence model like .
The fluid density is a function of the vapour mass fraction, which is computed by solving a transport
equation coupled with the mass and momentum equations.
(1)
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Modules
The vapour volume fraction can be deduced from the vapour mass fraction according to the following
equation:
(2)
The vapour mass fraction is governed by a transport equation:
(3)
The source terms and denote vapour generation and condensation and are functions of the flow
parameters (pressure, characteristic velocity) and fluid properties (liquid and vapour phase densities,
saturation pressure and liquid-vapour surface tension).
The above formulation is derived based on a homogeneous flow approach. This is acceptable for
cavitating flows because:
• Cavitation regions often correspond to regions of relatively high velocities. The slip velocity is
therefore rather small.
• There are no reliable models describing the local bubble sizes and interface drag forces. Hence,
the required overhead to compute a slip velocity cannot be justified.

Bubble Dynamics
Assuming there are enough nuclei for the inception of cavitation. Based on a zero slip velocity the bubble
dynamics can be described by the generalized Rayleigh-Plesset equation.
(1)
This equation can be considered to be an equation for void propagation, and hence mixture density.
To obtain an expression of the net phase change rate, the two-phase continuity equations are formulated:
Liquid phase:
(2)
Vapour phase:
(3)
Mixture:
(4)
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Combining the liquid phase, vapour phase, and mixture equations yields:
(5)
The vapour volume fraction can be related to the bubble radius by using the bubble number density n:
(6)
Substituting equation 6 into 5:
(7)
Using the Rayleigh-Plesset equation and neglecting the viscous damping and the surface tension (2nd
and 3rd terms on r.h.s.) and combining equations 2, 3, 5, and 7:
(8)
Assuming that initial bubble acceleration effects are negligible the second order derivative of can be
eliminated. Using equation 3 from the Flow Field and Turbulence theory chapter and equation 8 we
obtain the following equation for vapour transport:
(9)
The right hand side of this equation represents the vapour generation (evaporation) rate.
Though it is expected that the bubble collapse process is to be different from that of bubble growth, as a
first approximation, this equation is also used to model the collapse (condensation), when , by
using the absolute value of the pressure difference and treating the right hand side as a sink term.
The local far-field pressure is taken to be the same as the cell centre pressure. The bubble pressure is
equal to the saturation vapour pressure in absence of dissolved gas, mass transport and viscous
damping.

Phase Change Rates
In equation 9, all terms except n are either known or depended variables. In the absence of a general
model for estimating the bubble number density, the phase change rate is rewritten in term of the bubble
radius:
(1)
For simplicity the typical bubble radius is taken to be the same as the limiting (maximum) bubble size.
Then the bubble radius can be determined by the balance between aerodynamic drag and surface
tension forces. A commonly used correlation is:
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Modules
(2)
For bubble flow regime, is generally 5-10% of the liquid velocity. By using various limiting
arguments, e.g. as , and the fact that the per unit volume phase change rates should be
proportional to the volume fractions of the donor phase, the following expressions for vapour generation /
condensation rates are obtained:
(3)
(4)
and are empirical constants. They were determined by performing several series of computations
for sharp-edged orifice and hydrofoil flows. Both of these flows have excellent data, covering a wide
range of operating conditions. The most satisfactory values were found to be
Since this model was implemented it has been used for a large range of technical applications yielding
reliable results. Therefore, the present set of values seems quite adequate for general use.

Turbulence
The influence of turbulence is treated in a simplified manner. The phase change threshold pressure is
raised by the turbulent pressure fluctuations:
(1)
(2)

Non-Condensible Gases
It is assumed the working fluid is a homogenous mixture of liquid, vapour, and non-condensible gases
(NCG), i.e. all three fluids are assumed to be in both mechanical and thermal equilibrium (equal velocity
and equal temperature) at each location in the calculation domain. A convection-diffusion equation
governs the vapour mass fraction, , given by:
(1)
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The rate expressions were derived from the Rayleigh-Plesset equations, and limiting bubble size
considerations. These were expressed as functions of the local pressure, density, turbulence, surface
tension, and two empirical constants ( and ).
The presence of non-condensible gas is accounted for by assuming it to be in a premixed state.
Accordingly, the effect of a prescribed uniform constant mass fraction is accounted for through the
mixture density equation:
(2)
Densities and are functions of saturation pressure and temperature, which are constant for
isothermal flows. The gas density is calculated as a function of local pressure, by using the ideal gas
law.
The volume fractions are modified as follows:
(3)
Taking the non-condensible gas into account and using the turbulent kinetic energy to determine the
characteristic flow velocity, equations 3 and 4 in the Phase Change Rates chapter are rewritten:
(4)
(5)

Variable NCG Fraction
In liquid machinery, the non-condensible gas (NCG) exists in two forms:
• In the dissolved state (also referred to as absorbed state) in the liquid, and
• In the evolved or free gaseous state (also referred to as "deaerated" state)
Liquids usually contain certain amount of dissolved NCG. The free state NCG can come from premixing
of gas in supply liquid, or from local injection at a boundary or by evolution of the dissolved NCG. Thus,
to account for full effects of the NCG, we need to track the variation of both free and dissolved gas mass
fractions. Furthermore, the process of desorption (evolution, deaeration or release) and absorption (or
dissolution) link the two mass fractions and thus need to be accounted for.
We split the NCG mass fraction of Equation 2 in the Non-Condensible Gases chapter into two
components:
(1)
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Modules
It follows from mass conservation that the sum of vapour, liquid, and NCG mass fractions should be unity,
or:
(2)
Now the mixture density is calculated from:
(3)
Where we assume that the density of the liquid with dissolved NCG is the same as that of the pure liquid.
To allow variation and interchange of and in the computational domain, we add two more
convection-diffusion equations to the original set: one for NCG in gaseous phase, , and one for NCG
in dissolved liquid phase, (note that the mass fraction of the liquid itself is simply ).
(4)
(5)
The total mass of NCGs is conserved in the computational domain, which can be seen by adding the
above 2 equations together. The source terms and link the exchange between the two states.
The rate expressions for desorption and absorption of NCG depend on the local partial pressure of NCG
in gaseous state, an equilibrium pressure for NCG in dissolved state, and the local mass fraction of NCG.
The corresponding expressions are:
(6)
(7)
and are empirical coefficients to be determined.

The assumption in deriving these rate expressions are based on the following considerations:
1. Desorption (or release of gas) occurs when the gas partial pressure is below the equilibrium
pressure of . Likewise, absorption occurs when the partial pressure is above the equilibrium
pressure. Under both circumstances, the driving force is assumed to be the pressure differential.
Accordingly:
when , desorption rate activates, and is set to zero;
when , absorption rate activates, and is set to zero.
253
2. When the local volume is filled with all gaseous NCG ( =1.0) or when the local volume has no
dissolved liquid phase NCG ( =0), the desorption rate is set to zero.
3. When the local volume has no "free" NCG ( =1.0), the absorption rate is set to zero.
4. The value of maximum solubility depends on the fluids (gas and liquid) used and the operating
temperatures. At room temperature and pressure, air solubility in water is 2.0e-5, and that of carbon
dioxide is 9.6e-4. A value of 0.001 has been chosen for . For general reference, at 20 , these
values (by volume) are 0.020, 0.96 and 2.5 for air, and in water, and the corresponding values
at 100 are 0.012, 0.26, and 0.0.
5. The preliminary values of the empirical constants are: = 2.0 and - 0.1. The absorption
constant is smaller than desorption constant for two reasons: a) the absorption process from
gaseous state to the dissolved liquid state has to overcome surface tension effect, it experiences much
higher resistance; b) the pressure differential ( - ) during the desorption is bounded by the
maximum value of , while it is unbounded during absorption. The absorption process is dependent
on the available contact surface area while the desorption process is a volume-process and provided
there are sufficient nuclei for bubble formation, will always be faster than the absorption process. The
above values were arrived at by parametric studies over a very wide range of flow conditions in orifice
problems.
6. The equilibrium pressure is assumed to be an 'elevated' saturation pressure to account for
turbulent fluctuations in pressure. Since at saturation pressure gas solubility is zero, the saturation
pressure is the lowest possible equilibrium pressure.
7. The temperature dependence of the absorption/desorption process can be incorporated in the
above equations, by allowing the equilibrium pressure to be a function of temperature as well. The
functional form of this dependence will depend on the specific liquid and NCG pair used.
Boundary conditions for the above equations will include specification of gaseous and dissolved mass
fractions at inlet boundaries, as well as possible inlet conditions for gaseous phase mass fraction , if
needed at a wall injection.

Thermal Effects
The current original cavitation model assumed a constant temperature flow, and hence constant
saturation properties. In a number of engineering problems, external heat transfer in localized regions
can lower or increase the local fluid temperatures, and change the saturation properties. This change in
turn will affect the cavitation behaviour of the flow. Note here that the present formulation is not an
attempt to solve problems where a very high concentrated heat input to the fluid flashes the liquid to
vapour (e.g. in an ink jet) or boiling phenomena due to high heat addition at a surface. Rather, it is
assumed still that the flow cavitates locally due to a combination of both lowering of static pressure and
increase in the saturation pressure as a result of thermal changes in the fluid. One of the assumptions
mad here is that the liquid and gas phases are in equilibrium, and hence the process of vapour
generation is slow, which precludes the tratment of very concentrated heat sources in the volume or
surface which can lead to boiling.
Let us assume we have 3 phases of fluids: liquid, ; vapour, ; and non-condensable gas, . The total
mixture enthalpy is defined as:
(1)
and the mixture density is defined as:
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Modules
(2)
or:
(3)
The total mixture enthalpy equation satisfies:
(4)
Let us express in temrs of summation of each individual phase:
(5)
If we further express:
(6)
And define mixture specific heat as:
(7)
We have:
(8)
In the above expression, is the latent heat during the phase change from liquid to vapour.
At this point, is the reference enthalpy of liquid and we can set it to a reference value of zero. Since
there is no latent heat involved for the noncondensible gas, we will set as well.
Now, equation 4 becomes
(9)
Where the underlined term is actually:
255
(10)
With as the vapour generation rate, and as the vapour condensation rate.

Liquid Compressibility
The definition for mixture density with compressible liquid has the same format as before:
(1)
with the exception that now the liquid density is taken as a function of pressure (and temperature as
needed), instead of a constant.
In the compressible fluid treatment, we need to account for the fluid compressibility . This is
calculated by taking the derivative of equation 1.
(2)
or
(3)
The first term represents the compressibility of vapour phase, the second term is the compressibility of
gaseous phase in the liquid and the last term represents the liquid compressibility.
Universal liquid compressibility relations linking the liquid density with pressure and temperature are
difficult to obtain for liquids in general. A simple approach is to use the liquid bulk modulus defined as:
(4)
The liquid bulk modulus can vary with temperature. Thus, the variations in bulk modulus can be easily
incorporated in the fluid properties. Since the bulk modulus does not depend on pressure level, we can
integrate equation 4 to obtain a relation between the density and pressure for the liquid, at a given
temperature:
(5)
The liquid reference density and pressure can be defined at room temperature. For water, these values
can be set to atm, and .
In some cases, the liquid compressibility is specified simply in terms of the speed of sound in the liquid.
In this case, we can use the definition of the speed of sound, :
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Modules
(6)
to calculate the value of the bulk modulus as:
(7)
As seen in equation 3, the total compressibility of the mixture consists of the compressibility of vapour,
NCG, and liquid. The vapour is assumed to be incompressible as vapour pressure is assumed to be at
saturation pressure all the time. For NCG, the idea gas law is used.
Cavitation Module Limitations
The following are a few limitations in the Cavitation Module. These limitations may be removed in future
releases of CFD-ACE+.
Fluid Properties
There is no provision for automatically calculating the fluid properties as a function of temperature.
Therefore, you must specify the liquid saturation pressure and vapor density, which depend on the
operation temperature, and these will remain constant for the simulation. You must also specify the
surface tension. All of the default values are for water at 300 K.
Activating Cavitation
Activating the Cavitation Module means that all fluid volume regions in the simulation will use the
Cavitation Module.
Isothermal Assumption
The Cavitation Module assumes that the flow is isothermal. For this reason, activation of the Heat
Transfer Module is not allowed.
Modules Not Supported

The Cavitation Module has not been tested with the following modules:
• Heat Transfer
• Chemistry
• Two-Fluid
• Spray
• Free Surfaces (VOF)
Cavitation-Implementation
Cavitation Module
The Implementation section describes how to set up a model for simulation using the Cavitation Module.
• Model Setup and Solution - Describes the Cavitation Module related inputs to the CFD-ACE-
Solver
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Cavitation Module
The Cavitation Module can be applied to any geometric system (3D, 2D planar, or 2D axisymmetric).
Furthermore all grid cell types are supported (quadrilateral, triangle, hexahedral, tetrahedral, prism, and
polyhedral).
where boundary values are well known. Sufficient grid density should be placed in regions where
cavitation is expected to occur. A general rule is to have at least five cells in the cavitation region.
Cavitation Module
CFD-ACE+ provides the inputs required for the Cavitation Module. Model setup and solution requires
• Problem Type
• Model Options
• Solver Control
• Output
Cavitation Module
details.
Select Cavitation to activate the Cavitation Module. The Flow Module is also required when the Cavitation
Module is activated. The concurrent use of the Turbulence, Grid Deformation, and/or Stress modules are
fully supported.
The Heat Transfer module cannot be activated because of the assumption of isothermal flows. It follows
then that the Radiation module is not allowed either.
Use of the Chemistry, Two-Fluid, Spray, or Free Surfaces (VOF) modules have not been fully tested in
conjunction with the Cavitation module.
Cavitation Module
details. All of the model options for the Cavitation Module are located under the Cavitation (Cav) tab. The
Model Options section includes:
• Model Options-Cavitation (Cav)
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Modules
• Model Options-Liquid
• Model Options-on-Condensable Gas Concentration
• Model Options-Phase Change Coefficients
Cavitation Module
There are no settings under the Shared tab affect the Cavitation Module. (See Control Panel-Model
Options for details.)
Cavitation Module
Implementation-Model Setup and Solution-Model Options-Cavitation (Cav)
All of the model options for the Cavitation Module are located under the Cavitation (Cav)).
Model Options Panel in Cavitation Module Mode
Cavitation Module
Implementation-Model Setup and Solution-Model Options-Liquid
In the Liquid region, you are required to provide the operating temperature (K) for the simulation, and the
surface tension (N/m) for the liquid. The value that is supplied for operating temperature will be used for
all boundary conditions and initial conditions. The default surface tension value is 0.0717 N/m which is the
value for water at 300 K.
Cavitation Module
Implementation-Model Setup and Solution-Model Options-Non-Condensable Gas Concentration
You may pick the non-condensable gas present in the working fluid. The choices are Air, Helium,
Nitrogen, and User Specify. By choosing anything other than user specify, CFD-ACE+ will lookup the
molecular weight of the gas. If your non-condensable gas is not listed then you may select User Specify
259
and enter a name for the gas as well as its molecular weight. The molecular weight specified here will be
used as shown in equation 7-8.
The mass fraction of non-condensable gas present in the working fluid must also be specified. The
default value is 1.5e-5, which is typical for laboratory water.
It should be noted that the presence of non-condensable gases in liquids is a reality. Even a small
amount, e.g., 15 ppm has significant effect on both the physical realism and the convergence
characteristics of the solution. The temptations of prescribing zero mass fraction of non-condensable gas
should be avoided. For many practical problems, e.g., aerated fluids, equipment with air leakage
(suction), etc., higher mass fractions of air may lead to more realistic (accurate) results.
Cavitation Module
Implementation-Model Setup and Solution-Model Options-Phase Change Coefficients
The phase change rate coefficients (C e and C c ) can be specified here. These coefficients are used as
described in equation 7-4 and equation 7-5. The default values are C e = 0.02, and C c = 0.01. These
values have been determined after considerable numerical experimentation over a wide range of flow
conditions, for orifice and hydrofoil flows. These values should not be changed without consulting ESI
CFD Technical Support. The only exception is that C e and C c may both be set to 0.0 to remove phase
change effects from the cavitation model if so desired.
Cavitation Module
Click the Volume Conditions [VC] tab to see the Volume Conditions Panel. See Control Panel-Volume
Conditions for details. Before any property value can be assigned, one or more volume condition entities
With the volume condition setting mode set to Properties select any fluid volume conditions and ensure
that the volume condition type is set to Fluid. Only volume conditions that are of type Fluid need to have
Cavitation Module properties specified (since there is no flow in solid or blocked regions there are no
Cavitation Module properties for those regions.)
Because activation of the Cavitation Module is currently a global operation, all Fluid volume condition
regions in the simulation should have the same volume condition settings.
When performing simulations with the Cavitation Module, the fluid density evaluation method must be set
to Cavitation Model for all of the fluid volume conditions. Once the density evaluation method has been
set to Cavitation Model an input panel appears.
Volume Condition Inputs for Cavitation Module
260
Modules
You are required to provide fluid properties (absolute saturation pressure, liquid phase density, and vapor
phase density) at the current operating temperature. The default values correspond to the properties of
water at 300 K. These properties should be evaluated at the operating temperature which was specified
in the Cavitation Model Options area (see Model Options Settings).
Cavitation Module
Implementation-Model Setup and Solution-Boundary Conditions
There are no boundary condition parameters required for the Cavitation Module. The Cavitation Module is
fully supported by the Cyclic, Thin Wall, and Arbitrary Interface boundary conditions. See Cyclic Boundary
Conditions, Thin-Wall Boundary Conditions, or Arbitrary Interface Boundary Conditions for details on
these types of boundary conditions and instructions for how to implement them.
Most simulations will use fixed total pressure inlets and fixed static pressure outlets (see Boundary
Conditions). If solution start-up problems are encountered you may want to try starting with a fixed
velocity inlet to give sensible limits to the velocities, pressure, density, and turbulence quantities and later
switching to a fixed total pressure inlet. See Variable Limits.
In many applications, the cavitation region extends up to the outlet. The common practice of prescribing
uniform exit pressure may result into some numerical effects, e.g., pseudo shocks near exit, and some
inaccuracy in the computed mass flow rate. In spite of this inaccuracy, you can still study the relative
effects of other engineering (geometry and operating flow conditions) parameters. However, to improve
the accuracy, it is recommended to extend the calculation domain to locate the outlet boundary condition
further downstream such that there is no cavitation region crossing the outlet.
Cavitation Module
There are no special initial condition settings needed for the Cavitation Module. The vapor fraction will be
initialized as zero everywhere.
In difficult cavitation cases it may be beneficial to obtain a nearly converged solution with an increased
level of non-condensable gas present (say a mass fraction of 5.0e-5) and then restart from that solution
with the desired non-condensable gas mass fraction. See Control Panel-Initial Conditions for details on
how to restart a simulation. You may also try to set C r , C e , and the non-condensable gas level to zero to
obtain a realistic pressure field, and then restart from the solution with the default C e and C v , and the
desired non-condensable gas level.
Cavitation Module
Click the Solver Control [SC] tab to see the Solver Control Panel. The Solver Control panel provides
access to the settings that control the numerical aspects of the CFD-ACE-Solver and the output options.
The Solver Control section includes:
• Solver Control-Variables Limits
Cavitation Module
261
the equations. Activating the Cavitation Module enables you to set the cavitation vapor fraction
calculation. The default method is first order Upwind. See Spatial Differencing Scheme for more
information on the different differencing schemes available. Also see Discretization for numerical details
of the differencing schemes.
Cavitation Module
Under the Solvers tab you may select the linear equation solver to be used for each set of equations.
Activating the Cavitation Module enables you to set the cavitation vapor fraction equation. The default
linear equation solver is the conjugate gradient squared + preconditioning (CGS+Pre) solver with 500
sweeps and a convergence criteria of 0.0001. Since the mass vapor fraction typically in the range of 0 -
-5
10 , it may be beneficial to set the value of the convergence criteria to a much smaller number, perhaps
-10 -14
10 or 10 . See Control Panel-Solver Selection for more information on the different linear equation
solvers available. See Numerical Methods-Linear Equation Solvers for numerical details of the linear
equation solvers.
Cavitation Module
Under the Relaxation tab, select the amount of under-relaxation to be applied for the dependent (solved)
variable used for the cavitation vapor fraction equation. See Under Relaxation Parameters for details on
the mechanics of setting the under relaxation values. See Under Relaxation for numerical details of how
The cavitation vapor fraction equation uses an inertial under relaxation scheme and the default value is
0.8. Increasing this value applies more under relaxation and therefore adds stability to the solution at the
cost of slower convergence.
Cavitation Module
Settings for minimum and maximum allowed variable values can be found under the Limits tab. CFD-
ACE+ ensures that the value of any given variable will always remain within these limits by clamping the
value. Activating the Cavitation Module enables you to set the cavitation vapor fraction. See Variable
Limits for details on how limits are applied.
The default min/max for the cavitation vapor fraction is 0 and 1 respectively. These limits should never
need to be changed.
Cavitation Module
There are no settings under the Output tab that affect the Cavitation Module. See Control Panel-Output
Options for details.
Summary Output
There are no settings under the Summaries tab that effect the Cavitation Module. See Control Panel-
Summary Output for details on the general printed output options including boundary integral output,
diagnostics and monitor point output.
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Modules
Graphical Output
Under the Graphics tab, you may select the variables to output to the graphics file (modelname.DTF).
These variables will then be available for visualization and analysis in CFD-VIEW. Activating the
Cavitation Module allows output of the variables listed:
Cavitation Module Graphical Output
Variable Units
Total Void Fraction

-
(α = αv + αg)
Cavitation Module
CFD-VIEW can post-process the solutions. When you activate the Cavitation Module, the pressure and
void fraction fields can be visualized with surface contours and analyzed through the use of point and line
probes. Viewing the void fraction is the most direct indication of the size and shape of cavitating regions
in the flow field. The computed mass flow rate and surface pressure distributions are useful for
quantitatively assessing performance. A list of Cavitation Module post processing variables is shown
below.
Post-Processing Variables
MassFr Vapor Mass fraction -

Total volume fraction (Void
Total_Volume_Fraction -
Fraction)
Vapor_Volume_Fraction Vapor volume fraction -
Cavitation Module Frequently Asked Questions

How do I invoke cavitation without phase change (i.e. to simulate effects of mixed non-
condensable gas only)?
By setting the phase change rate coefficients (C e and C c ) to 0.0 (see Phase Change Coefficients) you will
not allow phase change (see equation 7-4 and equation 7-5). When this is done the fluid volume condition
density evaluation method should still be set to Cavitation Model and the inputs for saturation pressure
and vapor phase density will be ignored.
Cavitation Module References
Athavale, M.M., Li, H.Y., Singhal, A.K., "Application of the Full Cavitation Model to Pumps and Inducers,
8th International Symposium on Transport Phenomena and Dynamics of Rotation Machinery.”
(ISROMAC-8), Honolulu, HI, March 2000.
Bordelon, Jr., W.J., Gaddis, S.W., and Nesman, T.E., "Cavitation Environment of the Alternate High
Pressure Oxygen Turbopump Inducer.” ASME Fluids Engineering Conference, Hilton Head, SC,
1995.
263
Brennen, C.E., "Cavitation and Bubble Dynamics." Oxford University Press, 1995.
Hinze, J.O., "Turbulence.” McGraw Hill, 2nd Edition, 1975.
Keller, A.P. and Rott, H.K., ”The Effect of Flow Turbulence on Cavitation Inception. ASME FED Summer
Meeting, Vancouver, Canada, 1997.
Reisman, G., Duttweiler, and Brennen, C., "Effect of Air Injection on the Cloud Cavitation of a Hydrofoil.”
ASME FED Summer Meeting, Vancouver, Canada, 1997.
Rood, E.P., "Critical Pressure Scaling of Schiebe Headform Traveling Bubble Cavitation Inception."
ASME FED Summer Meeting, Vancouver, Canada, 1997.
Singhal, A.K., Li, H.Y., Athavale, M.M., and Jiang, Y., "Mathematical Basis and Validation of the Full
Cavitation Model.” Proceedings of ASME FEDSM, 2001.
Stoffel, B., and Schuller, W., "Investigations Concerning the Influence of Pressure Distribution and Cavity
Length on Hydrodynamic Cavitation Intensity.” ASME Fluid Engineering Conference, Hilton Head,
SC, 1995.
Watanabe, M. and Prosperetti, A., "The Effect of Gas Diffusion on the Nuclei Population Downstream of a
Cavitation Zone." ASME FED Vol 190, Cavitation and Gas Liquid Flow in Fluid Machinery and
Devices, 1994.
Grid Deformation Module
Grid Deformation Module Introduction

The Grid Deformation Module is used by the CFD-ACE-Solver to allow for moving/deforming grid
problems. This module is often coupled with the Stress Module to perform full fluid structures interaction
problems. The Grid Deformation Module can also impose a known grid deformation for time-dependent
moving grid problems. The Grid Deformation Module includes:
• Grid Deformation-Applications
• Grid Deformation-Features
• Grid Deformation-Limitations
• Grid Deformation-Implementation
• Grid Deformation-Frequently Asked Questions
Grid Deformation-Applications
The Grid Deformation Module simulates fluid flow (gas or liquid) problems where some or all of the
boundaries may be in motion. The Grid Deformation Applications section includes:
• Applications-Fluid-Structures Interaction Problems
• Applications-Simple Prescribed Motion
• Applications-User Defined Motion

Applications-Fluid-Structures Interaction Problems
One of the most common uses for the Grid Deformation module is the coupling of the Flow and Stress
Modules to perform a fluid structure interaction simulation. In this type of problem, the Grid Deformation
Module controls the grid deformation in the fluid regions of the simulation. The Stress Module actually
controls the deformation in the solid regions.
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Modules

Applications-Simple Prescribed Motion
The Grid Deformation Module can perform relatively simple deformation problems. If the boundary motion
consists of translation or rotation that can be described by a mathematical expression, then the inputs in
CFD-ACE+ will allow the problem to be setup and run directly from CFD-ACE+. For more complex
motions, use the user subroutine udeform_bc to define motion for boundaries.

Applications-User Defined Motion
For more complex grid deformation problems, use the UGRID user subroutine to gain total control of the
grid deformation and perform very complex deformation problems.
Grid Deformation-Features
Features-Introduction
The Grid Deformation Module controls the grid deformation in one or both of two ways: automatic
remeshing and user defined remeshing. The Grid Deformation Features section includes:
• Features-Automatic Remeshing
• Features-User Defined Remeshing

Features-Automatic Remeshing
Automatic Remeshing means that the Grid Deformation Module will automatically remesh the interiors of
any structured grid volume conditions whose boundaries are moving. This only applies to structured grid
regions of the model. The automatic remeshing feature uses a standard transfinite interpolation (TFI)
scheme to determine the interior node distribution based on the motion of the boundary nodes.

Features-Automatic Re-meshing
Transfinite Interpolation Scheme
This method uses a standard transfinite interpolation (TFI) scheme to determine the interior node
distribution based on the motion of the boundary nodes. This scheme is only available for structured
zones. It cannot be applied to composited domains. This must be addressed when building the grid; each
zone should only contain one volume condition. It cannot be applied to domains containing cyclic
boundary conditions.

Features-Automatic Re-meshing
Solid-body Elasticity Analogy
This method is based on the solution of the equations of linear elasticity. The re-meshing problem is
posed as follows: given the set of displacements on the boundaries of a domain, calculate the resulting
displacements (and thus mesh movements) of the interior nodes.
The linear elastic equations are derived from a force balance between internal stresses and external
forces. These equations may be expressed in terms of displacement as [1]:
265
(8-1)
Where ui is the ith component of displacement, fi is the ith component of the body force, and µ and λ are
the Lame constants, expressed in terms of material properties as:
(8-2)
(8-3)
In equations 8-2 and 8-3, is the modulus of elasticity and is Poisson’s ratio. For this application, is
set to zero to simplify the equations and reduce the cross-equation coupling. Also, the body force is zero
since all the displacement results from the specified boundary node displacements. This results in the
following equation governing the displacements of the interior nodes.
(8-4)
This equation is solved using finite element formulation. The simple nature of the equation results in a
much faster assemble time than standard structural mechanics solvers. Also, with displacement fixed on
all or most of the boundaries, the solution is tied down very well and can be solved very quickly using an
alternative solver such as the conjugate gradient solver.
Finite Element Solution
Equation 8-4 is solved using a standard Galerkin formulation [2], which can be expressed as
(8-5)
Where is the shape function for node α and V is the volume. Integrating by parts and collecting terms
gives the following equation:
(8-6)
For the re-meshing problem, the displacement will be specified on the surface and thus the area integral
in the above equation, which represents a traction boundary condition, can safely be removed. The
internal displacements are interpolated from the nodal displacements using the shape functions:
(8-7)
Where is the jth component of displacement at node β. This results in the following equation for
nodal displacements:
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Modules
(8-8)
where
(8-9)
and is the Kronecker delta.

The value of E need not be constant over the entire domain, and in fact can be used to provide extra
stiffness in regions of the domain where it is needed. Currently, E is a nonlinear function of the element
volume.
Following are the advantages over TFI scheme
• This scheme applies to both structured and unstructured grids(Tetrahedrals, Prisms, and
Pyramids).
• It can be applied to composited zones.
Following are some of the known limitations of this scheme.
• Computationally (memory and time) expensive compared to TFI. It is more economical to
use TFI if applicable.
• Polyhedral grid cells are not supported.
• The scheme cannot be used in parallel processing due to limitations of the stress solver.

Features-User Defined Remeshing
User defined re-meshing enables you to use the user subroutine UGRID to manually control all of the grid
deformation for a given zone. Use this method for structured and unstructured regions for the model. For
this, motion must be specified for all the nodes inside the user specified zone. You can use your own re-
meshing schemes.
Grid Deformation Module Limitations
• The Grid Deformation Module can currently only handle automatic remeshing of structured zones.
• Composited zones into single zones is not allowed when Grid Deformation is selected. This must
be addressed when building geometry: each zone should contain only one volume condition.
• The Grid Deformation Module does not work if the corresponding zone contains cyclic boundary
conditions.
• The Grid Deformation Module cannot handle composite blocks.
• For cases that involve multiple moving boundaries and TFI, each zone must be created using 4
sides in 2D or 6 sides in 3D. Figure 1 and Figure 2 below compare the two gridding options, one
that will not work with multiple moving boundaries and one that will.
267
Grid Deformation-Implementation
The Implementation section describes how to setup a model for simulation with the Grid Deformation
Module. The Grid Deformation Implementation section includes:
• Model Setup and Solution - Describes the Grid Deformation Module related inputs to the CFD-
ACE-Solver
• Specialized Point Constraint - Describes how to generate an initial grid for simulating mesh
deformations related to CFD applications.

The Grid Deformation Module can be applied to any geometric system (3D, 2D planar, or 2D
axisymmetric). All grid cell types are supported (quad, tri, hex, tet, prism, poly). For the automatic
remeshing method only structured (quad, hex) grid types are supported.
It is important that while building the grid system that you keep in mind how the deformation will affect the
grid. As the boundaries move, the interior will be remeshed using a standard TFI algorithm. If the
boundaries move too much or the motion is not well described, then grid quality could be degraded.

CFD-ACE+ provides the inputs required for the Grid Deformation Module. Model setup and solution
requires data for the following panels:
• Problem Type
• Model Options

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Modules
details.
Select Grid Deformation to activate the Grid Deformation Module. This module can work with any of the
other CFD-ACE+ modules.

• Model Options-Deform
• Model Options-Auto Remesh
• Model Options-User Subroutine

There are no settings under the Shared tab that are related to the Grid Deformation Module, although
most Grid Deformation problems will be run in the transient mode. (See Model Options for details.)

Implementation-Model Setup and Solution-Model Options-Deform
All of the model options for the Grid Deformation Module are located under the Grid Deformation (Deform)
tab.
Model Options Panel in Grid Deformation Module Mode

There are two options available; auto remesh, and user subroutine (ugrid). At least one needs to be
chosen and both may be activated together if desired.

Implementation-Model Setup and Solution-Model Options-Auto Remesh
The default option for the Grid Deformation Module is to automatically remesh the structured grid zones
based on the motion of the boundaries. This can only be done for structured grid zones.
User Subroutine
If you select the user subroutine option, the CFD-ACE-Solver will call the user supplied subroutine (ugrid)
that enables you to control each grid node’s location manually. See User Subroutine for details on using
the UGRID subroutine.
269

Implementation-Model Setup and Solution-Model Options-User Subroutine
If you select the user subroutine option, the CFD-ACE-Solver will call the user supplied subroutine
(UGRID) that enables you to control each grid node’s location manually. See User Subroutine-UGRID for
details.

Implementation-Volume Conditions
Volume condition settings are only needed if the User Subroutine grid deformation option was chosen
under the Model Options panel.
Conditions for details. Before any volume condition information can be assigned, one or more volume
condition entities must be made active by picking valid entities from either the Viewer Window or the VC
Explorer.
For each volume condition that you want to control grid deformation through the UGRID user subroutine,
you must activate the Moving Grid flag. This is done by changing the Volume Condition setting mode to
General and then selecting the Moving Grid checkbox for each volume condition region that you wish to
control via the UGRID subroutine. See User Subroutines-UGRID for details on how to implement the
UGRID subroutine.

Implementation-Boundary Conditions-Introduction
Click the Boundary Conditions [BC] tab to see the Boundary Condition Panel. See Control Panel-
All of the general boundary conditions for the Grid Deformation Module are located under the Grid
Deformation (Deform) tab and can be reached when the boundary condition setting mode is set to
General. Each boundary condition is assigned a type (e.g., Inlet, Outlet, Wall, etc.). See Control Panel-BC
Type for details on setting boundary condition types.
Because the Grid Deformation Module deforms the grid, it does not need any boundary condition values,
but rather it needs to know how to move the boundary condition locations. For this reason, the boundary
condition types do not matter (i.e., the boundary condition description below applies to all types of
boundary conditions).
The boundary conditions necessary to simulate the translation or rotation of any boundary condition patch
are available by selecting the Grid Deformation (Deform) tab. There are two methods used to define the
motion; translation and rotation. By combining the translation and rotation methods, different moving
patterns can be modeled, such as deformation and wave motion.
The Grid Deformation Boundary Conditions section includes:
• Boundary Conditions-Rotation

Implementation-Boundary Conditions-Rotation
There are two rotation subtypes: Rotation Angle and Angular Velocity. Each option is exclusive of the
other for a specific face. However, you can specify both rotation and translation for a face. The table
provides a summary of the rotation variables.
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Rotation Input Variables
Variable Description
Coordinates of the first point of rotation axis. These are real

point1 x, point1 y, point1 z
values.
Coordinates of the second point of rotation axis. These are

point2 x, point2 y, point2 z
real values.
Forward angle in degrees. Measured between the initial and

final positions.
Forward Angle
Backward angle in degrees. Measured between the initial

and final positions opposite the Forward Angle
Backward Angle
Rotation Angle Rotation angle in degrees (for Rotation Angle mode only).
Rotation annular velocity in degree/second (for Angular

Rotation Omega
Velocity mode only)
For 2D geometry, CFD-ACE+ only displays point1 x and point1 y since the rotation of 2D geometry must
be perpendicular to the screen, that is in the z-direction.
The Rotation Angle or Rotation Omega inputs are input with constant values or mathematical expressions
or UserSub(udeform_bc).
The forward and backward angles are defined as rotation for a rotating plane. By specifying Forward
Angle and Backward Angle, a face can oscillate anywhere. They could be same and/or different. If
Forward Angle = Backward Angle, a face will stop rotation at Forward Angle.
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The rotating plane will rotates between a and b. The angle a or b is called forward or backward angle. If a
is defined as forward angle, then b will be as backward angle and vice versa.

Implementation-Specialized Point Constraint
Tips on Moving Grid Setup
The capability of moving grids in CFD-ACE+ has provided a great opportunity to simulate mesh
deformation-related CFD applications. These kinds of applications exist in solid-fluid interaction, bio-
membranes, and MEMS devices. However, it is also known that the setup process is not a trivial job
especially for complicated geometries. This technical note provides guidance on how to generate an initial
grid so that the software can provide you with expected simulation answers.
Domain Division
Correct domain division of geometry within CFD-GEOM is the first, important step in handling the moving
grid cases. CFD-ACE+ uses the linear interpolation algorithm to generate new grids dynamically. This
technique requires that you generate an initial grid through CFD-GEOM correctly by domain division. The
following figure shows the basic structure of a domain.
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Figure 1 - Domain Definition - Points a, b, c, and d define a domain. a, b, c and d are domain
corner points, points w, e, s and n are domain face points. ab, bd, dc and ca are edges. Internal
point (i, j) will be moved by the linear interpolation algorithm.
The linear interpolation algorithm works in the following order:
(1) From motions of corner points, calculating face point motions, i.e., from motions of corner points a, b,
c, and d, getting the motions of face points w, e, s, and n.
(2) From motions of face points, calculating internal point motions, i.e., from motions of face points w, e, s
and n, get the motion of internal point (i, j).
From the order above, we can see that the end point of the prescribed moving edge (or face in 3D) must
be corners of the domain.
Figure 2 shows a correct domain structure. Since the edge ac is moved by the prescribed motion, points
a and c are corner points of domain abcd. The final new grid will look like figure 3.
Figure 2 - Moving Edge ac - Point a and c are corner points of domain.
Figure 3 - Final Grid After Motion

Figure 4 is still a correct domain structure. The edge ab has been divided into two edges: edge ae and
edge eb. However, the end points of the edge with prescribed motion ac are points a and c, which are the
corner points of the domain abcd. The final new grid will look like figure 5.
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Figure 4 - Moving Edge ac - Point a and c are corner points of domain. ae and eb are edges.
Figure 5 - Final Grid After Motion

However, figure 6 defines an incorrect domain structure. Since the end points of moving edge ae are
points a and e, e is not the corner point of domain abcd.
Figure 6 - Moving Edge ae. Point e is not a corner points of domain abcd.
To get the correct grid, the domain should be divided as in figure 7. Where point e becomes corner point
of domain aee’c. The final grid will look like figure 8.
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Figure 7 - Moving Edge ae. Point e is a corner points of domain aee’c.
Figure 8 - Final Grid After Dividing Domain

Figure 9 shows the multi domain structure.
Figure 9 - Multi Domain Structures
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However, the structure shown in figure 9 is not correct! The whole structure has been divided into 4
domains. The prescribed motions are assigned to the edges gj and hi of domain 2. The end points of the
moving edge are points h, i, g and j. These points are the corner points of domains 1, 2 and 3
respectively. However, the moving points i and j are also shared by domain 4. They are not the corner
points of domain 4! Therefore, the structure in figure 9 will fail to return the correct grids. The correct
structure is drawn in figure 10.
Figure 10. Multi Domain Structures

In the figure 10 the moving points i and j are also the corner points of domains 4, 5 and 6 respectively.
Using the .spc File
SPC is the acronym for specialized point constraint and is a CFD-ACE+ file type. Using the structure in
figure 10, we will explain the .spc file. We assume that the moving edges gj and hi are moving toward an
upper vertical direction. After the motion, the new grid should look like figure 11.
Figure 11 - New Grid After Motion

Since the points t and s do not move, the new grid on the right becomes skewed. Occasionally, the
skewed grids create problems in numerical simulations and may lead to unstable schemes or delay the
convergence. If the skewed grid becomes an issue, the .spc file can repair the grid. With the .spc file, you
can define the motions of points t and s the same as points j and i so that the new grid becomes
orthogonal as shown in figure 12.
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Figure 12 - With the .spc File, the New Grid Becomes Orthogonal
Another feature of the .spc file is that you can define a 1D re-meshing algorithm. The moving grid re-
meshing algorithm uses the linear TFI (Transfinite Interpolation) methodology.
Figure 13 - Grid Structure and TFI Methodology

The motion of internal grid point (i, j) is calculated based on the motions defined at edges through the 2D
re-meshing:
Where, dx and dy are displacements, function f is a linear interpolation function that is defined by the ratio
of the edge length. Sometimes if the geometry has one or more edges that are extremely non-linear, as
shown in figure 14, the linear 2D re-meshing method may not work.
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Figure 14. Highly Non-linear Geometry. The motion is along the vertical direction (Y direction)
If we still use 2D re-meshing to calculate the motion of internal point (i, j), the grid will create a negative
volume. This is because the non-linear edge ratio at points e and w cannot be interpolated by linear
function f. We can use the 1D re-meshing technique to repair it. With 1D re-meshing, the motion of point
(i, j) is calculated only through displacement in the Y direction, i.e., based on the motion at points n and s:
We can do this using the .spc file. The .spc file has 4 different types of techniques:
• 1D re-meshing
• Sliding
• Face to point re-meshing
• Point to point re-meshing
The function of "sliding" and "face to point re-meshing" can be achieved by "point to point re-meshing".
Therefore, the point to point re-meshing is more general. Its format is:
Zone(n 1 , n 2 ) : i1, j1, k1, i2, j2, k2, X_dir, Y_dir, Z_dir
Where Zone is the key word. n 1 and n 2 are the domain index. The i 1 , j 1 , an k 1 are grid node indexes on
domain n 1 , the i 2 , j 2 , and k 2 are grid node indexes on domain n 2 . X_dir, Y_dir and Z_dir are the re-
meshing direction. Based on the problem, you may only need one or two of them:
Zone(n 1 , n 2 ) : i1, j1, k1, i2, j2, k2, Y_dir
Zone(n 1 , n 2 ) : i1, j1, k1, i2, j2, k2, X_dir, Y_dir
The zone n 1 is the follower zone and n 2 is the leading zone. The function of this specification defines an
assignment, i.e. the displacement of point (i 2 , j 2 , k 2 ) on the domain n 2 is assigned to the point (i 1 , j 1 , k 1 )
on the domain n 1 :
The detailed format is written in the .spc help file.

If you open a blank .spc file as model.spc, where model is the DTF file model name, and run the
simulation, CFD-ACE+ will stop the calculation and write a .spc help file. Follow the hints in help file to
generate a working .spc file and run the simulation again.
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CFD-VIEW can post-process the solutions. When the Grid Deformation Module is invoked, the deformed
grids will be written to separate simulations in the DTF file.
Grid Deformation Module Frequently Asked Questions
What happens if a node shared by two boundaries has two different types of motions?
To illustrate the basic rules that CFD-ACE+ follows, consider the following figure:
• If node 1 is shared by being (translation or rotation) and bc3 (implicit Motion), and Stress or Free
Surfaces (VOF) are being solved for, then node 1 uses Implicit Motion.
• If stress of VOF is not being solved for, then node1 uses Translation or Rotation type.
The Order of Preference is:
1. Implicit Motion (if solving for Stress of Free Surfaces (VOF))
2. Normal Translation Motion
3. UserSub(udeform_bc)
4. Regular Translation or Rotation
If both nodes have the same type of motion but expressions are different, then CFD-ACE+ writes a
warning message to <model-name>.out file and one of them is chosen. If expressions are the same, then
no warning message is given. Corresponding warning messages for each decision will be written to
<modelname>.out file.
Stress Module
Stress Module Introduction

The Stress Module adds a finite element structural analysis capability to CFD-ACE+ and enables you to
set up the structural model. You can use it in a stand-alone mode for pure structural analyses or couple it
with Flow, Heat Transfer, and Electric modules for multi-disciplinary analyses. These multi-disciplinary
analyses may be grouped into two different categories.
Implicit coupling with other modules is accomplished by sending temperatures, fluid pressures,
electrostatic pressures, etc. to the Stress Module. The Stress Module calculates deformations (and
stresses) from these loads and updates the geometry and grid. Iterations are performed until
convergence is obtained. You have control over how often the geometry/grid is updated via the stress
modules by specifying a grid update frequency. The Stress Module includes:
• Stress Module-Applications
• Stress Module-Features
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• Stress Module-Theory
• Stress Module-Limitations
• Stress Module-Implementation
• Stress Module-Frequently Asked Questions
• Stress Module-Examples
• Stress Module-References
Stress-Applications
Stress Module
Applications Introduction
The implicit coupling provided among the Stress and Flow, Heat Transfer, and Electric modules provides
a very powerful and wide ranging analysis tool. The Stress Applications section includes:
• Stress Module-Pure Structural Analysis
• Stress Module-Coupled Solid/Fluid/Thermal Problems
• Stress Module-Multidisciplinary Electrostatic Problems-MEMS Application
Stress Module
Application-Pure Structural Analysis
The Stress Module is a structural analysis tool for calculating stress and deflection. The figure below
shows the results of thermoelastic analysis of fuel transfer tubes in a gas turbine atomizer. A thermal
analysis was not performed in this problem; rather, a constant temperature increase of 500K was applied
to the geometry, and the resulting stresses calculated.
Thermoelastic Analysis of a Gas Turbine Atomizer
Stress Module
Applications-Coupled Solid/Fluid/Thermal Problems
You can perform problems involving the interaction of flow, heat transfer, and stress analysis using CFD-
ACE+, without transferring external data files between different analysis packages.
The figure below shows a static mixer channel used for mixing turbulent fluids. For large flow rates,
stresses at the junction of the mixer arms and the base can become quite large. For this problem, the
deflection of the mixer arms is not large enough to have an impact on the flow field.
The grid and analysis results for this problem is given in the following diagram. This problem used the
one-way coupling feature, in which a converged steady-state flow field was obtained, and then the
pressure loading from that flow field was applied to the Stress Module to calculate the resulting stresses.
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Mixer Channel Geometry
Mixer Channel Grid and Solution

The following image shows the results of a coupled fluid/thermal/structural analysis of flow through an
orifice. The geometry is modeled as 2D axisymmetric. Hot gas enters the left side of the domain at 0.25
m/s and 500K. The initial temperature of the orifice was 300K. This analysis used the two-way coupling
option, where the geometry deformations from the structural analysis were fed back to the Flow and Heat
Transfer Modules.
It also shows the results of four different analyses run for this problem. Image A shows the results with no
structural analysis, i.e. running just a flow and heat transfer problem. Image B and Image C show the
results of coupling the Stress Module with the Heat Transfer and Flow Modules only, respectively. Image
D shows the results of the fully coupled problem (flow, heat transfer, and stress). This problem shows the
necessity of performing this fully coupled solution, since the results of the flow plus heat transfer solution
is not a simple linear combination of the individual flow and heat transfer solutions (because of the
nonlinearity introduced by the flow solution).
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Coupled Fluid/Thermal/Structural Analysis of an Orifice
Stress Module
Applications-Multi-disciplinary Electrostatic Problems-MEMS
You can analyze MEMs applications by coupling the CFD-ACE+ Stress and Electric Modules with the
Flow and Heat Transfer Modules. Several examples are shown here. The figure below depicts a model of
an accelerator, which is an electrostatic loaded plate clamped by four beams. This plate sits 2µm above a
ground plane, and has a 20V voltage applied to it. This figure shows the calculated displacement
contours resulting from the electrostatic load.
Accelerometer Under an Electrostatic Load

Image A shows the geometric dimensions and problem set-up. Image B shows the calculated
displacement of the plate due to the electrostatic load. The displacement of the plate toward the ground
plane is maximum (1.83 mm) at the center of the upper plate.
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The following figure shows a high frequency resonator, used in applications such as high pass filters. A
sinusoidal driving voltage is applied to a plate below a resonator beam, deforming it as seen by the
contours. The deformation is coupled through a coupling beam to an output beam where the change in
capacitance between the beam and the ground detects its deformation. The contours show the calculated
vertical displacement for one instance in time.
Displacement Field Contours on a High Frequency Resonator

The following figure shows a linear lateral resonator comb drive. The device has the potential for many
uses such as an accelerometer or gyroscope. A folded beam with attached combs is placed between
comb drives which have applied ac or dc voltages to drive or sense the resonance of the moving folded
beam structure.
The following figure shows the structure at two instances in time. The plotted contours represent the
vertical displacement (i.e. normal to the ground plane). The contours show the resultant increase in tilt
due to the electric field asymmetry in the vertical direction as the voltage is increased.
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Linear Lateral Resonator Comb Drive with an Applied Sinusoidal Drive Voltage at Two Instances
in Time
The following figure shows a mesopump where pump actuation is accomplished through electrostatic
forces. This analysis was a flow/stress/electrostatic analysis. The figure that follows shows the computed
electric field distribution.
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Solid Model of a Mesopump Cell
Electrostatic Field Distribution in a Pump

Stress Module Features
The Stress Module supports the following structural analysis capabilities:
• Steady-state and transient analysis
• Linear analysis
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• Nonlinear analysis: geometric nonlinear, material nonlinear

• Contact analysis: elastic/rigid and elastic/elastic
• Piezoelectric (for details see Electric Module)
• Thermoelasticity
• Modal analysis
• Anisotropic material properties
• Various element types
Stress-Theory
Stress Module
Theory-Introduction
The Stress Module solves the structural mechanics equations, in finite element form, derived from the
principal of virtual work (Zienkiewicz, 1971). For each element, displacements are defined at the nodes
and obtained within the element by interpolation from the nodal values using shape functions. In matrix
notation, this may be expressed as:
(9-1)
where u is the continuous displacement field throughout the element, N is the shape function matrix, and
a is the vector of nodal displacements. The particular form of N depends on the element type and order.
Using the strain-displacement relationship, the strains ε are derived from the displacements u and hence
the nodal displacements a. This may be expressed as:
(9-2)
If the displacements are large, the strains depend non-linearly on the displacements and thus B is a
function of a. We express this relationship as:
(9-3)
Where B 0 is the standard small-strain strain-displacement matrix, and B L is a linear function of the nodal
displacement.
For reasonably small strains, the stress-strain relationship is linear and may be expressed as:
(9-4)
Here, D is the elasticity matrix containing the material properties, ε 0 and σ 0 are initial strains and stresses,
respectively.
Thermoelastic stress problems are handled by considering the temperature rise T to contribute to initial
strains as:
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Modules
(9-5)
where α i represents the coefficient of thermal expansion for coordinate direction x i .

The governing equations are derived by forming a balance between the external and internal generalized
forces using the principal of virtual work. If we let f be the vector of externally applied loads, and apply a
nodal virtual displacement of δa, the work done by the external and internal forces, respectively, are:
(9-6)
(9-7)
where equation 9-2 was used in expressing the strain in terms of the nodal displacements. Equating the
external work done with the total internal work, and recognizing this equality must be valid for any value of
virtual displacement, we arrive at the following equilibrium equation.
(9-8)
For the nonlinear case, a Newton-Raphson technique is used where at each iteration we solve for a
correction to the current displacement field using:
(9-9)
The rate of change of Ψ with respect to a is defined as the tangent stiffness matrix, K T . Taking variations
of equation 9-8 with respect to da gives:
(9-10)
From the stress-strain relationship (equation 9-4) and equation 9-2, we can write:
(9-11)
and from equation 9-3:
(9-12)
Thus:
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(9-13)
where:
(9-14)
The integral in equation 9-13 may be written as (Zienkiewicz, 1971):
(9-15)
where K σ is known as the initial stress matrix or geometric matrix.

Thus, the equation solved in the Newton-Raphson scheme is:
(9-16)
where:
(9-17)
Convergence is obtained when the maximum correction ∆a reaches a predetermined small value. For a
linear problem, K T is the standard linear stiffness matrix and only one iteration is needed. The number of
iterations needed in the nonlinear case is highly problem dependent; typical values range from 3 to 20.
For transient analyses, the equilibrium equation (equation 9-8) is modified to account for the inertial and
damping forces, and the same procedure is followed to derive the basic equation of the iterative scheme.
Although the general elasticity relationship given by equation 9-4 was used, this approach is general to
allow for any nonlinear stress-strain relationship, since the solution will again reduce to the solution of a
set of nonlinear equations as expressed in equation 9-8.
Stress Module
Theory-Damping
To model structural damping, CFD-ACE+ uses a spectral damping method whereby viscous damping is
incorporated by specifying a percent (or fraction) of critical damping (see equation 9-18 below). Critical
damping is defined as the transition between oscillatory and non-oscillatory response (see following
figure).
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Stress - Damping Responses

The damping fraction depends on the material and the stress level. These values can be obtained by
experimental observations of the vibratory response of a structure, or from past experience with similar
structures. Typical values fall between 0.5% and 15% (see equation 9-19).
CFD-ACE+ uses a specific spectral damping scheme known as Rayleigh or proportional damping. This
approach forms the damping matrix C as a linear combination of the mass and stiffness matrices. (see
equation 9-20)
(9-18)
where α and β are the mass and stiffness proportional damping coefficients respectively. With this
formulation, the critical damping fraction, as a function of frequency, may be express as:
(9-19)
The two damping coefficients α and β are obtained by specifying fractions of critical damping ( ξ 1 and ξ 2 )
at two frequencies (ω1 and ω 2 ). This yields two equations in two unknowns which may be solved as:
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(9-20)
(9-21)
If the values of α and β are known, they may be entered directly in CFD-ACE+. Otherwise the four values,
ξ 1 , ω 1 , ω2 ,and ξ 2 may be specified, and α and β will be calculated internally.
The frequency values ω1 and ω2 are usually chosen to bound the design spectrum of the problem. In
such a case, ω1 is taken as the lowest natural frequency of the structure (which may be obtained from a
modal analysis) and ω 2 is taken as the maximum frequency of interest in the loading or the response.
As can be seen from equation 9-21, damping attributed to αM decreases with increasing frequency,
whereas the βK component increases with increasing frequency.
The following figure, taken from Cook, Malkus, et al, shows the fraction of critical damping as a function of
frequency. The frequency range of interest for this example ranges between ω1 and ω2 with critical
damping fractions ξ 1 and ξ 2 respectively. This figure demonstrates why ω1 and ω2 are chosen to bound
the design spectrum, as the amount of damping increases substantially outside this range.
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Fraction of Critical Damping versus Frequency for Raleigh Damping. Contribution of Stiffness and
Mass Proportional Damping to Total Damping Included
Stress-Limitations
Stress Module
Limitations
The Stress Module has the following limitations:
Arbitrary Interfaces
The grid resolution required in the structural domains is substantially less than that required for the fluid
domains. This is especially true when second order elements are used in the solid. However, nodal points
must be matched one-to-one at a solid/fluid interface. To work around this, use unstructured elements in
the solid to transition from the fine interface grid to a coarser grid away from the interface.
Cyclic/Thin Wall Boundary Conditions
Stress calculations cannot be made for a thin wall boundary condition.
Limited Element Library
The elements supported by FEMSTRESS are: triangles, quadrilaterals, tetrahedrals, hexahedrals, prisms,
pyramids, shells, solid shells, and enhanced bricks. The Stress Module does not support other
specialized elements such as beams, bars, rods, and shear panels.
Stress Module
Limitations
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Stress Module
Limitations
Stress-Implementation
Stress Module
Implementation Introduction
The Implementation section describes how to set up a model for simulation using the Stress Module. It
includes the following sections:
• Model Setup and Solution - Describes the Stress Module related inputs to CFD-ACE+
• Post-Processing - Provides tips on what to look for in the solution output
Stress Module
The Stress Module can be applied to any geometric system (3D, 2D planar, or 2D axisymmetric). CFD-
ACE+ supports quad, tri, hex, tet, pyramid, and prism cell types, but polyhedral cells are not allowed.
CFD-ACE+ can use many different types of elements when solving stress simulations using the built-in
finite element stress module.
Element Types
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By default, the elements created in a standard grid system, e.g. triangles, hexahedrals (bricks), etc., are
taken as first order elements, which means that the dependent variables are interpolated linearly between
the nodes.
Alternatively, you may choose second order elements. The stress solver will create second order
elements by inserting mid nodes along each edge. Thus, a 3-noded triangle becomes a 6-noded triangle;
an 8-noded hexahedral (brick) becomes a 20-noded hexahedral (brick), etc. With second order elements,
variables are interpolated quadratically using the three nodes along an edge, greatly increasing the
accuracy in most cases. Second order elements should be used with caution, however, because in
addition to increasing the accuracy, the memory and computational requirements are also increased.
To improve the accuracy of first order elements, we have added two element types in V2003. You can
now activate enhanced first order brick elements or solid shell brick elements. Enhanced first order brick
elements are almost as accurate as second order elements with the advantage that they require roughly
the same memory as first order elements. Solid shell brick elements are more accurate than standard
elements for high aspect ratio grids. CFD-ACE+ can also stack solid shell elements in multiple layers but
these options can only be applied to 3D hexahedral elements.
The following example illustrates the different solutions that can be obtained using the different element
types. This case is a simple cantilever beam with an applied pressure of 200000 Pa to the upper side of
the beam. The applied pressure causes the beam to deflect downward. The analytical result for this case
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indicate a maximum displacement of 0.0146 m. The results are shown below along with normalized CPU
time and memory usage for each element type.
It is clear from the results that the first order elements are not accurate enough to capture the correct
solution. The second order elements produce the analytical result but take 4x more CPU time and 7x
more memory. The enhanced first order elements take roughly the same amount of CPU time and
memory for this small case and produce an excellent result.
Choosing An Element Type
First order elements are the most robust and efficient and can be used for many simulations. However,
here are a few guidelines that might help:
• If you have a bending dominated problem (like the bending of a plate or beam) then second order
elements (or enhanced first order bricks) should be used.
• If (nearly) incompressible behavior is present (e.g., in linear elastic materials with Poisson's ratio
greater than 0.49 or nonlinear elastoplastic materials) then enhanced first order elements or even
solid shell elements will perform better than standard first or second order elements. Keep in
mind that these element types are only available for 3D hexahedral grid systems.
• If you have high aspect ratio hexahedral grids (as in modeling a large plate structure) then you
should use solid shell brick elements.
To set an element type:

1. Select Model Options (MO), and then the Stress Tab.
2. In the Element Order pull-down menu, select one of the following options:
• First Order
• Second Order
To set enhanced first order brick elements or solid shell brick elements:
1. Select Model Options(MO), and then the Stress tab.
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2. Set the Element Order to First (this is the default setting).

3. Activate the Element Conversion option (this is not required for Enhanced Brick option) if you
want Solid Shells.
4. Select a volume condition region that consists of hexahedral cells.
5. Change the VC setting mode to Stress.
6. Change the Brick Element Option to either Enhanced Brick or Solid Shell. If you are using Solid
Shell elements then you also need to set the shell surface direction by selecting one BC for each
solid that represents the side which will undergo the most bending (usually the surface with the
largest area) and activating the Shell Surface option. Enhanced and solid shell options can only
be applied to 3D hexahedral grid systems.
Structural Analysis
To perform a structural analysis on a region of the domain:

1. Specify the cells within that region as solid cells by assigning a solid type Volume Condition (VC)
to the region.
2. Activate stress in the same region.
If you have activated the Deformation Module, there is another important aspect of grid generation to be
aware of. The deformation module uses a transfinite interpolation (TFI) procedure to re-grid the deformed
fluid regions. This TFI algorithm requires a structured grid, so any fluid regions of the domain that will be
deforming must be structured (i.e. quadrilaterals or hexahedrals).
The following diagram shows the geometry and grid for flow over a solid block. The fluid grid in the
immediate vicinity of the solid must be structured if the grid is deforming, but the solid grid itself and the
fluids grid away from this region may be unstructured. The interface between the structured and
unstructured regions in the fluid is taken as fixed when the TFI is performed.
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Sample Grid for Analysis of Deforming Grids
Stress Module
The Model Setup and Solution section includes the inputs and settings required for the Stress Module. It
includes:
• Problem Type
• Model Options
• Solver Control
• Output
Stress Module
Implementation-Model Solution and Setup-Problem Type
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details.
Select Stress to activate the Stress Module. The Stress Module can work with any of the other CFD-
ACE+ modules. If the grid is deforming (i.e., two-way coupling), then you must also activate the Grid
Deformation Module.
Stress Module
details. The Stress Model Options section includes:
• Model Options-Stress
Stress Module
Implementation-Model Setup and Solution-Model Options-Shared-Introduction
The Model Options Shared tab contains parameters that apply to all modules. For FEMSTRESS, all but
the Time Accuracy option apply, since FEMSTRESS always uses the Newmark algorithm for time
advancement. See Control Panel-Model Options for details in setting up parameters.
Model Options-Stress
Stress Module
Implementation-Model Setup and Solution-Model Options-Stress-Introduction
All of the model options for the Stress Module are located under the Stress tab. The Stress tab includes:
• Stress-Analysis
• Stress-2D Geometry
• Stress-Element Order
• Stress-Mass Matrix Type
• Stress-Damping
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Model Options Panel - Stress Tab

Stress Module
Implementation-Model Setup and Solution-Model Options-Stress-Analysis
The Stress Tab Analysis section contains a pull-down menu with the following options:
• Linear Analysis - In this option, the Modal Analysis option becomes available at the bottom of
the panel and enables you to specify the number of modes. If you enter a value N, the Stress
Module will calculate the first N mode shapes and their respective frequencies. If you specify the
problem as steady, the mode shapes and frequencies will be calculated and written to the output
file. If you specify the problem as transient, these values will be used for the transient solution.
You can select graphical output of the mode shapes using the Solutions/Output options. Modal
analysis can be used with any grid type supported by the stress module. However, this option
may only be used for linear problems.
• Non-Linear Analysis - In this option, additional non-linear options become available:
o Geometric Non-Linear - The Geometric Non-Linear options activates Large Deformation
Analysis which allows the non-linear component of the strain tensor to be considered during
formation of the stiffness matrix.
o Contact Analysis - If there will be contact between an elastic body and a rigid surface or
between two elastic bodies, then activate the Contact Analysis button. Contact problems are
nonlinear. Contact and target surfaces are specified in Boundary Conditions.
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o Material Non-Linear - This option enables you to solve problems where the modulus of elasticity
is a function of strain, as opposed to a default constant value.
Stress Module
Implementation-Model Setup and Solution-Model Options-Stress-2D Geometry
For two-dimensional problems, the underlying modeling assumption for structural analysis is either
axisymmetric, plane stress, or plane strain. You can choose the axisymmetric geometry option under the
Model Options-Shared tab.
If the problem is not axisymmetric, choose:
• Plane Stress -If one dimension is smaller than the other dimensions, then the stress in that
direction is negligible. This is referred to as plane stress.
• Plane Strain - If one dimension is larger than the other two, then the strain in that direction is
negligible. This is referred to as plane strain and the analysis is done on a sliced plane of unit
thickness in the larger dimension.
Stress Module
Implementation-Model Setup and Solution-Model Options-Stress-Element Order
The Element Order menu contains two options:
• First - The elements created in a standard CFD grid system, e.g. triangles, hexahedrals, etc., are
first order structural elements. This means that the dependent variables are interpolated linearly
between the nodes.
• Second - The Stress Module will create second order elements out of the first order ones by
inserting mid nodes for each edge. Thus, a 3-noded triangle becomes a 6-noded triangle, an 8-
noded hexahedral becomes a 20-noded hexahedral, etc. This is only done for the structural
analysis. With second order elements, variables are interpolated quadratically using the three
nodes along an edge, greatly increasing the accuracy in some cases. Second order elements
should be used with caution because in addition to increasing the accuracy, it also increases
memory requirements.
To learn more about element types, see Stress-Implementation-Grid Generation.
Stress Module
Implementation-Model Setup and Solution-Model Options-Stress-Mass Matrix Type
The Mass Matrix Type menu enables you to setup modal and/or transient problems and contains two
options:
• Consistent - In the consistent option, the mass matrix is calculated using the standard
mathematical finite-element formulation.
• Lumped - In the lumped option, the mass matrix is converted to a diagonal matrix by lumping the
element mass at the nodes.
For most problems, these two options give nearly identical results.
Stress Module
Implementation-Model Setup and Solution-Model Options-Damping
The Damping section enables you to select either structural or numerical damping.
Structural Damping
For structural analyses, structural damping may be specified by selecting one of the following methods:
• Raleigh Damping - In the Rayleigh Damping method (Bathe, 1976), the damping matrix is a
linear combination of the stiffness and mass matrix. The weighting factors are specified in the
Alpha and Beta type-in fields. The damping matrix will be computed as:
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(9-22)
where:
k = the stiffness matrix
m = the mass matrix
If the values of α and β are known, you can enter them directly under the Rayleigh Damping
parameters.
• Critical Damping - In Critical Damping, these parameters define a percent of critical damping at
two different frequencies. The values of α and β are then calculated from this information, as
explained in the Stress-Theory section.
Numerical Damping
The transient finite element equations are solved using the Newmark Scheme (Cook, 1981). This method
uses a parameter, γ, that controls the implicitness of the algorithm. For values of γ, artificial positive
damping is introduced - a feature that is used in the Implicit Damping approach.
Allowable values are 0.5< γ < 1.0. At γ = 0.5, no artificial damping is added to the solution.
Model Setup and Solution-Volume Conditions
Stress Module
Implementation-Model Setup and Solution-Volume Conditions-Introduction
Click the Volume Conditions [VC] tab to see the Volume Condition Panel. To assign volume conditions
and activate additional panel options, select an entity from the viewer window or the VC Explorer.
The Stress Module requires two types of volume condition information to be entered: stress equations for
a given volume condition and structural properties for a solid material. The Volume Condition mode
determines which piece of information is currently being set. The Volume Condition section includes:
• Volume Conditions-Activating Stress Equations
• Volume Conditions-Structural Properties
Stress Module
Implementation-Model Setup and Solution-Volume Conditions-Activating Stress Equations
To activate stress equations solution:

1. In VC Setting Mode, select the Stress option from the pull-down menu.
2. If the volume condition type is Solid, you will be able to select the Activate Stress checkbox. If the
Activate Stress checkbox is not selected, the solid volume will not be part of the Femstress
Solution. In other words, it will be a solid volume with no displacement and no stress. When you
activate the Activate Stress checkbox, an additional panel appears:
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Volume Condition Panel in Stress Mode

3. In the Tref field, enter a reference temperature for the volume condition that will be used in the
thermoelastic analysis. The solver assumes that the given grid is stress free at this reference
temperature. If you do not want to include the effects of thermal stress, then set the thermal coefficient of
expansion to zero. See Volume Conditions-Structural Properties.
The Heat Transfer Module does not need to be activated for a thermoelastic analysis. For cases where
the Flow or Heat Transfer Module has not been activated, the solid temperature will default to 0K. Thus,
to model a temperature increase of 100K, the reference temperature must be specified as -100K.
Stress Module
Implementation-Model Setup and Solution-Volume Conditions-Structural Properties
With the Volume Condition tab set to Properties, select the volume conditions with the volume condition
type set to Solid. Only volume conditions that are a Solid type need to have structural properties specified
(since there is no stress in fluid or blocked regions there are no structural properties for those regions.)
Structural properties are located under the Struct tab.
Material Type
The Material Type menu enables you to choose whether the material type is linear or non-linear.
Linear Isotropic Materials
The Material section menu enables you to choose an isotropic or anisotropic material. For isotropic
materials, where the structural properties are independent of direction, the Stress Module requires you to
select four properties:
•
3
Density - kg/m (Available under the Phys tab)
•
2
Young's Modulus (modulus of elasticity) -N/m
• Poisson's Ratio - dimensionless
• Expansion Coefficient (coefficient of thermal expansion) - m/m-K.
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Material Property Inputs for Linear Isotropic Materials

Linear Anisotropic Materials
If you choose the Linear Anisotropic Material type, the panel changes to the following for 3D geometries:
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Modules
Material Property Inputs for Linear Anisotropic Materials

For anisotropic materials, the properties are dependent on direction. For each volume, you must define a
local coordinate system in which the properties are defined. This local system is defined by the Local X-
Axis Vectors and Local Y-Axis Vectors input. These vectors define the local x and y axes in terms of the
global coordinate system. The local z-axis is obtained from the x and y axes using the right hand rule.
These vectors do not need to be unit vectors. The number a ij in these fields represent the jth component
(in the global system) of local axis i. The figure below shows the local system (xy) and global system
(XY).
Global (XY) axis and Local Material (xy) Axes

To define this system, enter the following values:
a11 = 1.0
a12 = 1.0
a13 = 0.0
a21 = -1.0
a22 = 1.0
a23 = 0.0
After defining the local coordinate system, you must enter values for the expansion coefficient, Young's
Modulus, Poisson's Ratio, and Shear Modulus in the local system. Here, index 1 refers to the local x axis,
index 2 to the y axis, and index 3 to the z axis.
For a general 3D anisotropic analysis, there are six Poisson ratio values. However, only the three shown
need to be entered, as the remainder are obtained from the expression:
E j n ij = E i n ji
Each individual Poisson ratio value must satisfy (n ij < 0.5). For 2D anisotropic problems, you only need to
enter the local x axis components. The local y is obtained by the right hand rule. Properties are only
needed for directions 1 and 2, and plane 1-2 for axisymmetric and plane stress problems.
Non-Linear Isotropic Materials
If you choose the Non-Linear Isotropic Material type, the panel changes and prompts you to add two
additional properties:
•
2
Initial Yield Stress (N/m )
•
2
Hardening Parameters N/m )
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Material Property Inputs for Non-Linear Isotropic Materials
Stress Module
Implementation-Model Setup and Solution-Volume Conditions-Piezoelectric Properties
To activate Piezoelectric Properties:

1. Ensure that the Stress box is activated in the PT tab.
2. Click the VC tab and from the VC Setting Mode menu, select Properties.
3. In the Model Explorer, select a volume with a Solid VC Type. An additional portion of the VC
panel appears.
4. From the VC Setting Mode Properties menu, select Solid.
3
5. Click the Phys tab and enter Density - kg/m
6. Click the Struct tab and from the Materials Type menu, select Linear.
7. Enter the following data:
•
2
Young's Modulus (modulus of elasticity) -N/m
• Poisson's Ratio - dimensionless
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• Expansion Coefficient (coefficient of thermal expansion) - m/m-K.

8. Click the Piezo tab and enter the following:
• Dielectric Matrix - enter diagonal elements of 2x2 for 2D problems and enter 3x3 for 3D
problems
• Piezoelectric Coupling Matrix - enter 4x2 matrix (stress components and 2 geometry/material
axes) for 2D or 2D axisymmetric problems and enter 6x3 matrix for 3D problems
Stress Module
Click the Boundary Conditions [BC] tab to see the Boundary Conditions Panel. To assign boundary
conditions and activate additional panel options, select an entity from the viewer window or the BC
Explorer.
The Stress Module is not supported by the thin wall or arbitrary interface boundary conditions. This does
not mean that these types of boundary conditions cannot be used. It just means that they cannot be used
within any solid volume condition regions where stress solution has been activated.
Stress Module boundary conditions only need to be given for boundary conditions that surround any solid
region where stress calculation has been activated. This means that the only boundary condition types
that need to have stress conditions applied are walls, rotating walls, and interfaces. Once one of these
types of boundary conditions has been selected, all of the settings required for the Stress Module are
located under the Stress tab and can be reached when the boundary condition setting mode is set to
General.
For any wall, rotating wall, or interface there are four types of stress conditions, known as subtypes, that
may be applied: Free, Prescribed Displacement, Loads, Symmetry, and Cyclic.
In addition to these, if contact analysis was specified in the Model Options section, a Contact Analysis
checkbox will appear. If the chosen boundary is part of the contact model, either as a contact or a target
face, this button should be activated and the type of face specified.
The Stress Boundary Conditions section includes:
• Boundary Conditions-Free
• Boundary Conditions-Prescribed Displacement
• Boundary Conditions-Load
• Boundary Conditions-Contact and Target Surfaces
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Free
The Free boundary condition (the default) specifies a free surface with no constraints and no applied
forces.
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Prescribed Displacement
The Prescribed Displacement boundary condition fixes the displacement of the specified boundary to the
values or expressions that you enter into the fields for Delta X, Delta Y, Delta Z. There are two evaluation
methods for the Prescribed Displacement subtype: Constant and Expression.
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For the Constant evaluation method you must enter a real number. Then, the displacement value for the
chosen boundary will be fixed to this constant value for the duration of the simulation. Setting the fixed
displacement values to zero ensures that the selected boundary does not move.
If you choose the Expression evaluation method, you may enter a mathematical expression, specifying
the displacement value as a function of the spatial variables (x, y, z) and/or time (t). The basic math
functions: (sin, cos, tan, exp, +, -, *, /, **) are supported. In addition, the constant PI is recognized as .
All of the expression inputs are case insensitive.
For example, a displacement that varies with x-location may be input by specifying the subtype to be
Prescribed Displacement, choosing the Expression evaluation method, and entering, for example:
0.0001*(X-1.0)
Boundary Conditions-Load
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Introduction
The Load subtype allows forces to be applied to the selected boundaries. You can apply load options in
any of the following combinations:
• Applied Pressure
• Implicit Pressure
• Implicit Shear Stress
• Spring Force
• Point Load
Boundary Condition Load Subtype Options

Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Applied Pressure
The Applied Pressure subtype applies a fixed pressure to the specified boundary.
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Load Subtype - Applied Pressure Option

There are two evaluation methods for applied pressure: Constant and Expression.
To specify applied pressure as a constant:

1. Under Applied Pressure, select the Constant option.
2. Enter a real number in the P field. The applied pressure for the boundary will be fixed to this
constant value for the duration of the simulation.
To specify applied pressure as an expression:

1. Under Applied Pressure, select the Expression option.
2. Enter a mathematical expression as a function of the spatial variables (x,y,z) and /or time (t). The
basic math function (sin,cos, tan, exp, +, -, *, /, **) is supported. The constant Pi is recognized as
. The expression inputs are NOT case sensitive. For example, a sinusoidal pressure force may
be entered by specifying the subtype as Applied Pressure, choosing the Expression evaluation
method, and entering: 1000.0*sin(2.0* *T)
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Implicit Pressure
The Implicit Pressure subtype specifies that the chosen boundary is coupled to another module and is to
get its applied load from that module. This subtype is visible only when the Flow Module or the Electric
Module is selected. Contributions from all modules will be used. For example, if the Flow and Electric
modules are chosen in addition to the Stress Module, any boundaries where Implicit Pressure is specified
will use the calculated fluid pressure and an effective electrostatic pressure as the applied pressure.
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Implicit Shear Stress
The Implicit Shear Stress subtype includes forces due to fluid shear stresses at a fluid-solid interface.
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Spring Force
The Spring Force subtype models a boundary that is assumed to be connected to a rigid plane by a
spring. If you choose this subtype, an additional panel appears requiring:
• Constant - enables you to specify the Spring Constant (k).
Boundary Condition - Load - Spring Force Option

Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Load-Point Load
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The Point Load subtype specifies the location and force components of one or more point loads. These
loads are applied to the closest node on the selected surface.
Boundary Condition - Load - Point Load Option
To specify constant point load values:

1. Select the Point Load checkbox to activate it.
2. In the Total Point Loads field enter the number of points that you want to specify and click OK.
The Current Point Load field is set to 1 indicating that parameters for the first point can now be
set.
3. Select Constant or Parametric from the menu. To specify constant points, enter the X-Coordinate,
Y-Coordinate, Fx, and Fy. Use the arrow located to the right of the Current Point Load field to
scroll through each next point that you entered in the Total Point Loads field. If Parametric was
chose, you must define the parametric input for Fx and Fy .
To define parametric input:

1. Select the Define button to the right of the Fx parameter
The Parametric Input window appears: See Tools Menu-Parametric Input for details
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Modules
2. From the Parametric Input dialog click Add to create a variable. The variable appears in the list
window and two type in fields appear. The field on the left enables you enter a new name for the
variable and the field on the right enables you to enter the value for the variable.
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3. To rename the variable, enter a new name in the type in field located at the bottom left of the
variable list.
4. To specify the value for the variable, use the functions provided at the bottom of the window
and/or type the desired formula directly in the value field
5. To add more variables, click the Add button. If you make a mistake, use the Delete button to
delete a specific variable or use the Reset button to clear the Parametric Input dialog.
6. Click Apply to accept changes and OK to save.
7. In a similar manner, define the Fy parametric input.
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Symmetry
If a Symmetry type boundary condition borders a solid region where stress has been activated (instead of
a wall or interface type), that information is passed to the Stress Module that then treats it as a symmetry.
No further input is required.
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Modules
However, there are times when a structural symmetry condition is desired on a boundary which is not
modeled as symmetric for the other modules (for example you may want to fix a temperature at this
boundary). You can specify a structural symmetry condition on a wall or interface boundary by choosing
the Symmetry subtype.
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Contact and Target Surfaces
If you select Contact Analysis in the Model Options section, a Contact checkbox appears under the
Stress boundary condition panel. Selecting this box will cause a surface type box to appear under the
SubType box. You can select the surface to be either a contact or a target surface.
Contact and target surfaces are defined in pairs and are matched using a Pair Name. All contact surfaces
with a certain pair name can potentially come into contact with all target surfaces of the same name. A
contact surface group may be a member of only one pair, but a target surface group may be a member of
up to five different pairs.
For contact surfaces, you are prompted to enter the pair name for that surface. For target surfaces, you
are prompted for pair names and contact gap.
Contact Target Surface Parameters

As mentioned, the target surface may be a member of several pair sets.
To define target surface sets:

1. Click the Specify Contact Target button. The Contact Target Pair window appears.
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2. In the Total Pairs field, enter the total number of pairs for the target surface then click on the OK
button.
3. In the Pair Name box, enter a name for each pair. Each target pair name should have a
corresponding pair name for a contact surface.
4. Click the Close button to close the Contact Target Pair dialog.
A Contact Gap is specified for each target surface. This is the contact/target gap size at which contact is
assumed to occur. This is needed when there is a fluid region between the contact and target surfaces. If
you specify a non-zero contact gap, the fluid cells will be squeezed into that distance between the two
surfaces, rather than going to zero and producing zero or negative volumes.
Stress Module
Implementation-Model Setup and Solution-Boundary Conditions-Cyclic
Cyclic or periodic boundary conditions for Stress are implemented using the following constraint
equations:
Master (m) Slave (s)
Displacement Displacement
Normal Normal
Tangential Vectors , Tangential Vectors ,
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-ve sign, since normals are opposite to each other for periodic
faces
(9-23)
(9-24)
(only 3D) (9-25)
For setup of cyclic/periodic BC, see Cyclic Boundary Conditions.
Stress Module
Click the Initial Conditions [IC] tab to see the Initial Conditions Panel. The Initial Condition panel appears:
Initial Conditions Panel

You can specify Initial Conditions as constant values or have them read from a previously obtained
solution file. If you specify constant values, the Stress Module assumes zero initial values for
313
displacement, velocity, and acceleration for a non-restart run. You can also define initial temperature and
residual stress.
The Initial Temperature is the temperature value for thermoelastic analyses in which the heat module is
not activated (i.e. the temperatures are constant rather than calculated from the energy equation). For
each volume in the structural model, the temperature difference used to calculate thermoelastic strain is
the difference between this initial temperature and the reference temperature of the volume (specified in
the VC panel).
Initial (or residual) stresses are also specified in this section. Axial stresses in the global x,y, and z
directions are input in the respective boxes. These stresses are defined as positive in tension, negative in
compression.
Stress Module
Click the Solver Control [SC] tab to see the Solver Control Panel. The Solver Control panel accesses
settings that control the numerical aspects of the CFD-ACE-Solver. The Stress Solver Control section
includes:
• Solver Control-Iterations
Stress Module
Implementation-Model Setup and Solution-Solver Control-Iterations
The Solver Control Iterations tab enables you to set the maximum number of iterations and convergence
criteria. If you have chosen a nonlinear structural option (i.e. large deformation, contact analysis) in the
Model Options panel, you can enter the number of iterations of the Newton-Raphson algorithm in the
Iteration field located under the Stress section of the Iter tab of the SC panel. This iteration value is
separate from the number of iterations of the main solver (specified in the Max. Iterations field in the
Shared section), since the Stress Module converges to a true structural solution each time the solver is
called (otherwise, a totally unrealistic geometry could be sent back to the other modules).
Solver Control - Iteration Tab - Stress Parameters
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Coupling Frequency Iterations

If you also activated the Grid Deformation Module, the Coupling Frequency field appears in the Stress
section of the Iter tab. This variable specifies the frequency, in iterations, that Femstress is to be called to
update the grid. Femstress will always be called at the end of each time step (for transient simulations),
commonly known as one-way coupling, or at the end of the solution (for a steady state simulation). Thus,
if a steady state case converged in 22 iterations and the Coupling Frequency was specified as 5,
Femstress will be called five times (that is, at iterations 5, 10, 15, 20, and 22).
The default value is set to a very large number (100000) to treat the problem as one-way coupling. For
most FSI problems, the coupling frequency needs to be smaller than the maximum iterations.
Stress Module
The Solver Control Solvers tab enables you to select the linear equation solver to be used for the solution
of the stress equations from the Stress section. The options are:
• Automatic - This option automatically chooses the solver to use for the simulation based on the
problem size. If CFD-ACE+ chooses the CGS solver, you must specify the number of sweeps
and convergence criterion to stop the iterative process
• Direct Solver - This is a linear solver that is recommended for any problems involving shell
elements, since shell elements result in very ill-conditioned systems (Benzi, 1997).
• CGS Solver - The Conjugate Gradient Solver is an iterative linear solver. For this solver, you
must specify the number of sweeps and convergence criterion to stop the iterative process.
SC Panel - Solvers Tab - Stress Equation Options
Stress Module
The Solver Control Relax tab enables you to select the amount of under-relaxation to be applied for each
of the dependent (solved) and auxiliary variables used for the stress equations.
settings will have to be changed, usually by increasing the amount of under-relaxation that is applied.
There are no general rules for these settings and only experience can be a guide. There are two possible
Stress Module related inputs:
• FEM Contact - The contact model used in the Stress Module requires some linear relaxation for
optimal convergence. The default value of 0.5 will usually suffice, although values as low as 0.1
may be needed in some cases.
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• Grid Motion - If you have activated the Grid Deformation Module, then the calculated grid
deformation is sent back to the Flow or other modules. Relaxing this motion by checking the Grid
Motion box will give the flow field time to adjust. Typical values will range from 0.05 to 1.0,
depending on the severity of the deformation and the coupling between the flow and stress.
Solver Controls - Relax Tab with Grid Motion Option Available
Stress Module
Implementation-Model Setup and Solution-Solver Control-Adv
The Solver Control Adv tab contains two sections:

• Shared - When checked, adds buffered output (what is this and what does it share with?)
• Stress - Adds Gaussian Integration Points.
o First Order
o Second Order
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Solver Control - Advanced Tab
Stress Module
Implementation-Model Setup and Solution-Output-Introduction
The Output (Out) Panel enables you to modify output location, set output frequency and type, and select
user subroutines. The Output section includes:
• Output
• Summary
• Graphic
• Monitor
Output Panel
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Stress Module
Implementation-Model Setup and Solution-Output-Output
The Output (Out) Panel's Output tab enables you to modify output location, set output time step and
frequency, and select user subroutines.
Output Panel
Transient Results
The Transient Results section contains an Output Location menu with three options:
• Unique Filename - sends the results to a unique filename
• Unique Simulation - sends the results to a unique simulation
• Replace Simulation - sends the results to replace and existing simulation
Output Frequency
The Output Frequency section contains:
• Constant Time Step -
• Starting Time Step - enables you to enter a starting time step for the output
• Ending Time Step - enables you to enter a ending time step for the output
• Time Step Frequency - enables you to generate one or more time step frequencies
User Defined Output
The User Defined Output section contains three user subroutines:
• User Sub(uout) - When activated, this subroutine will be called from various points in the solution
cycle.
• User Sub(uread_dtf) - When activated, this subroutine will be called from solver at the beginning
of simulation, when solver is reading the DTF file.
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Modules
• User Sub(uwrite_dtf) - When activated, this subroutine will be called from solver at the end of
simulation, when solver is writing the DTF file. At this point, you should not do anything except
write to the DTF file.
Mode Shape Output
If the Modal Analysis Model has been activated (see Model Options-Stress-Modal Analysis for details) the
Mode Shape Output section appears on the Output tab. When you select this output option, the first N
modes, where N is the number of requested modes in the Model Output section, are written to separate
DTF files. These files follow the same numbering format as transient data files (that is, the first mode
shape will be written to Model.0001.DTF, the second mode shape to Model.0002.DTF, etc).
The Mode Shape Output option opens the Maximum Plot Displacement section of the Output panel. It
has two Evaluation Method options:
• User Specified -Use this option to enter a value in the Absolute Disp. (displacement) field. This
value represents the magnitude of the maximum deformation difference (that is, maximum
displacement minus minimum displacement). For example, if you specify a value of 1.0, a mode
shape with equal positive and negative displacements will range in value from -0.5 to 0.5.
• Code Calculated - Use this option if you do not know a valid value for the Mode Shape Output
parameter. CFD-ACE+ chooses the displacement based on the size of the structure. If these
displacements are too large or too small, you can use the Scale Factor field to adjust the value.
Stress Module
Implementation-Model Setup and Solution-Output-Summary
The Output (Out) Panel's Summaries tab enables you to print specific portions of your solution. This panel
changes to include additional print options if other modules have been activated. For the Stress module
only, it contains two sections:
• Shared - The Shared section contains the following options:
o BC Integral Output
o Diagnostics
o Set Residual Frequency
• Stress - When you activate the Stress Module, it outputs a reaction force summary in addition to
the general summary output options. The Reaction Forces option prints the reaction forces at
each fixed node of the structural model.
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Output Panel - Summaries Tab
Stress Module
Implementation-Model Setup and Solution-Output-Graphic
The Output (Out) Panel's Graphic tab enables you to select the variables to output to the graphics file
(modelname.DTF). These variables will then be available in CFD-VIEW.
Output Panel - Graphic Tab

Shared
The Density option [need description]
Stress
The Stress graphical output variables are:
• Displacement - [need description] (Units - m)
•
2)
Cartesian Stress Tensor - [need description] (Units - N/m
• Cartesian Strain Tensor - [need description] (Units - none)
• Principal Stress - Provides the maximum and minimum normal stresses, the maximum shear
2)
stress, and the VonMises stress. (Units - N/m
• Principal Stress Direction - Provides a vector that shows the direction of the maximum and
minimum principal stresses. This may be viewed as a vector in CFD-VIEW. The sign of the vector
is undefined (for example, a point in tension is pulled in each direction). An arbitrary condition is
used to give the vectors a sign. (Units - none)
• Principal Strain - [need description] (Units - none)
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• Reaction Forces - Provides the resulting x,y,z direction forces at all fixed boundaries. (Units - N)
Stress Module
Implementation-Model Setup and Solution-Output-Monitor
The Monitor tab enables you to specify one or more locations where solution variables will be printed. For
more information, see Overview-Monitor Points. All Graphical variables are available under monitor point
output.
Output Panel - Monitor Tab - Monitor Point Definition and Shared Sections
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Output Panel - Monitor Tab - Stress Section
Stress Module
Implementation-Post-Processing
Use CFD-VIEW to post-process the solutions. When you activate the Stress Module, you will want to view
structural displacements (Cartesian values) and principal stresses. By definition, the Normal Stress
values are defined as positive in tension and negative in compression. The following table shows a
complete list of post processing variables available (depends on the Graphical Output selections you
have selected) as a result of using the Stress Module:
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2
TauMax Maximum shear stress N/m
2
VonMises VonMises Stress N/m
Cartesian stress component σxx

2
Stressxx N/m
Cartesian stress component σyy

2
Stressyy N/m
Cartesian stress component σzz

2
Stresszz N/m
Cartesian stress component σxy

2
Stressxy N/m
Cartesian stress component σxz

2
Stressxz N/m
Cartesian stress component σyz

2
Stressyz N/m
Strainxx Cartesian strain component εxx -
Strainyy Cartesian strain component εyy -
Strainzz Cartesian strain component εzz -
Strainxy Cartesian strain component εxy -
Strainxz Cartesian strain component εxz -
Strainyz Cartesian strain component εyz -
StrainMax Maximum principal strain -

StrainMin Minimum principal strain -
Shearmax Maximum shear strain -
ShearMin Minimum shear strain -

Fx x-direction reaction force N
Fy y-direction reaction force N
Fz z-direction reaction force N
Displacements are solved at the nodes of the element, whereas the stresses are post-processed from the
displacement field and are calculated at the Gaussian integration points internal to the elements. The
stresses are calculated from displacement derivatives, and thus are one order less accurate than the
displacements. Also, since the stresses are calculated at internal points and interpolated to the nodes, the
stress value at exterior surfaces actually represents the stress at the integration points inside that surface
element.
Stress Module Frequently Asked Questions
What is the Cartesian stress tensor?
323
At each point, we have the stress tensor σ ij , where i refers to the face and j refers to the direction:
The nine components σ ij make up the Cartesian stress tensor. The stress tensor is symmetric, i.e. σ ij =σ ji ,
so there are six independent components of the Cartesian Stress Tensor. At each face, the three
components of stress on that face sum vectorally to a force (per unit area) on that face,
(9-26)
The full stress tensor can combine to create a stress in a general direction:
A simple force balance will give:
(9-27)
where is simply the component representation of .

From equation 9-26 and equation 9-27:
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Modules
(9-28)
or
(9-29)
The force (stress) vector is not necessarily normal to face.
What are principal stresses?
Consider a plane where the normal component of is an extremum. Some math results in:
1. This is an Eigenvalue problem with three solutions.
2. These planes are planes where is in face normal to the face.

3. Therefore, the shear stress on these planes is zero.
Planes where is maximum give ax
Planes where is minimum give σ min

The maximum shear stress is given by:
(9-30)
τ max acts on planes bisecting the planes of σ max and σ min .

The VonMises stress is related to the distortional energy of the body (as opposed to the hydrostatic) and
is given by
(9-31)
where σ 1 , σ 2 , σ 3 are the three principal stresses.

I notice that sometimes the displacement values I see in the contour plots do not match the actual
displacement of the grid. Why is that?
This may happen for coupled fluid/solid problems with a grid relaxation parameter less than 1.0, which
are not fully converged. The grid relaxation is used for problems with very large deformations or problems
with initially very large pressures, where we do not want to send the full grid change back to the fluid
solution.
Wouldn’t that mean that the two solvers are almost solving two "independent" problems anytime
there is a case where the grid motion relaxation is less than 1.0?
The problems are not totally independent, since the grids are related. This semi-independence fits in with
the overall sequential and explicit coupling of the stress and flow solutions, in which each solution is
325
obtained with information passed from the other solution until convergence is obtained. The merging of
the two grids is part of the convergence process.
For problems that are very difficult to converge, grid relaxation values much less than 1.0 may be
needed. For these problems, are any modifications made to account for that fact that the stress
and flow grids may differ?
No type of modification is done to account for the different grids. The thought is that they should only
differ substantially in the early stages when the fluid forces also tend to differ substantially from the final
solution. If these fluid forces are way off, we typically do not want to use the full displacement that these
incorrect forces would cause. As the solution converges the differences in the grids goes away.
What other methods of obtaining convergence for FSI problems can be used to avoid using
extremely small values of grid relaxation?
Convergence is often problem-specific, but here are some suggestions that should help in most
problems:
• If the problem is transient, using a smaller time step (if feasible) will help. If the problem is
steady, sometimes running it as a transient (to reach steady-state) will help convergence.
• Linear relaxation on pressure helps to moderate the pressure fluctuations seen by the stress
solver, reducing the displacement fluctuations and aiding convergence.
• Limiting the pressure values is often useful. Sometimes the pressure field will see unrealistic
values during the first few iterations, which will produce unrealistic deformations (which then feed
back into the flow solver). Often the user will know the approximate maximum and minimum
pressure values of the final solution, which can be used to set pressure limits. With these limits,
the non-physical pressure values will not be sent to the stress solver.
• The coupling frequency option can be used to allow the flow field to develop before the stress
solver is called for the first time. For example, with a coupling frequency of 5, there will be 5 flow
iterations before the first call to the stress solver, which would give time for the pressure and
viscous forces in the flow field to reach more realistic values.
What is Femstress?
FEMSTRESS is the old name for the Stress Module. The Stress Module is a Finite Element based
Structural Analysis Module of CFD-ACE+. It can be used in stand-alone mode or coupled with the
following types of problems:
• Flow (Coupled Flow and Stress/Strain)
• Heat Transfer (Stress/Strain due to Thermal + Fluid Effects)
• Electrostatics (Due to Electrostatic Forces)
• Piezoelectric (Due to Electrostatic Forces in piezoelectric Materials)
What element types are supported?
2D Elements
• Shapes: Triangles, Quadrilaterals
• Formulation: Plane Stress, Plane Strain, Axisymmetric
3D Elements
• Shapes
o Tetrahedral, Prismatic, Pyramidal
 Standard Brick Elements (First and Second Order)
o Hexahedral
 Standard Brick Elements (First and Second Order)
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Modules
 Enhanced Brick Elements (For bending dominated and incompressible problems) (First Order)
 Solid Shells (First Order)
Which element type should I use?
First order elements are the most robust and efficient and can be used for many simulations.
• If you have a bending dominated problem (like the bending of a plate or beam) then second order
elements (or enhanced first order bricks) should be used.
• If (nearly) incompressible behavior is present (e.g., in linear elastic materials with Poisson's ratio
greater than 0.49 or nonlinear elastoplastic materials) then enhanced first order elements or
second order elements will perform better than standard first order elements.
• For (thin) shell structure analysis, solid-shell element is more accurate than standard first or
second order elements.
How do I use shell elements?

Problem: User cannot figure out how to activate Shell Surface element type.
Solution: Specify one side of thickness direction as Shell Surface, under BC type.
Another Common Problem:

• You created a grid with multiple cells in thickness direction
• You must have only 1 cell in the thickness direction to use Solid Shell elements
What value do I set for the contact gap?
327
Set a value of about 1 or 2 orders smaller than the unsqueezed grid resolution. If you use 3 or 4 orders
smaller, the grid-cell aspect ratio will be so high that convergence problems may result.
Stress is on but no stress is predicted.

You may have forgotten to click Activate Stress. Once you have activated the Stress Module, you must
also change the VC Setting Mode to Stress and click Activate Stress in each individual VC where Stress
is to be calculated.
Help! I Have Negative Volumes! (FSI-related problems)

Output File Snippet:
--- Negative Volumes Encountered
Cell No. = 68
X Y = 1.13589721737274 0.485607586491270
Volume = -8.681406085241693E-004
********************************************************************
Error: The new grid has negative volumes, which will cause failure of the
solver. The negative volume may be identified in CFD-VIEW by negative
values of the scalar variable "ng_Vol" in DTF file name
=Shear_FSI1_negative.00001.DTF in sim = 1
********************************************************************
CPU Time at the end of = 1 time steps.
End of Output Elapsed Time= 1.894724E+01 Delta-time= 8.392066E+00
--- Negative Volumes Encountered
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Modules
Negative volumes are generated when the structure deforms so much that the fluid-grid cells get highly
distorted. Probable causes are large implicit pressures or divergence/non-convergence of nonlinear FEM
iterations.
You may tend to miss the FEM.RSL file below file because it is not accessible through the GUI, so you
will not usually catch this problem yourself.
FEM.RSL File Snippet
# ACE_ITER FEM_ITER Node DOF x y z Max
dphi Energy Norm
#FEMSTRESS Convergence at outer iteration Number 1 of time step 1
1 1 323 1 -1.3000E-04 3.4616E-03 0.0000E+00 -2.0731E-08
5.0813E-08
1 2 240 2 5.0000E-05 7.3500E-03 0.0000E+00 2.8477E-14
1.3353E-17
#FEMSTRESS nonlinear algorithm converged at iteration Number = 2 with
DPMAX = 2.8477E-14
To repair negative volumes:
• Change the inlet boundary condition for velocity or pressure so that implicit force on the solid is
not very high.
• Change the pressure and grid relaxation parameters.
• If transient, reduce the time step size by one or two orders. Restart from the last saved time step
DTF file before negative volumes, with a much smaller time step size.
• If contact, refine the grid to make the contact surfaces more smooth. Problem is cross-over due to
very different resolution (5:1 or more).
• SPC file
Stress-Examples
Stress Module
Examples
The Oil Flow through a Compliant Orifice Tutorial uses the Stress Module with one or more other
Modules.
Stress-Examples-Demo Problems
Stress Module
Examples-Stress Concentration
Create two circles centered at the origin, of radii 0.2 and 0.4 m, and split each point at a parametric value
of 0.25 (i.e. at x=0.0). Put in points C (1,0,0), F (0,1,0) and G (1,1,0). Delete all but the first quadrant of
the circles, and connect the points with lines so that your geometry looks as shown below.
The inner region (ABED) will be meshed with a structured grid, and the outer region (BCGFE) with an
unstructured grid. Create edges on the four curves of the inner domain (AB, BE, ED, DA), with 11 points
along the straight lines and 15 points along the curved lines. Then, create a face on those edges.
On the outer region, create an edges along the x and y axes (BC and EF, respectively) with 7 points,
using the power law distribution with a factor of 1.7. On the other two lines (CG and FG), create edges
with 6 points, equally spaced.
On the inner region, create a face from the four edges, and a 2D block from the face. Create a loop on
the edges of the outer domain, use the Tools->Utilities option to create a 2D domain from the loop, and
then create a triangular grid on that 2D domain. Your grid should now look like that shown below.
329
Stress Concentration Geometry
Stress Concentration Grid

In the BC/VC editor, set both the face and the loop to solid domains. Specify the edges along the x and y
axes as symmetry faces, and set the other boundaries to walls. Then save this as a DTF file.
Read this DTF file into CFD-ACE+. When it is read in the unstructured grid and the structured grid should
be represented as a face (i.e. without the grid shown).
330
Modules
In the Problem Type/Modules section, activate the Stress module. The parameters under the Global
section stay at their default values. Under the Model Definition section, choose plane stress as the
Geometry type, and keep all other parameters at their default values.
In the Boundary Condition panel, apply a fixed pressure of 10,000 Pa to the outer wall surfaces, and
leave the inner surface to the default of Free. The constraints will come from the symmetry surfaces set in
CFD-GEOM.
In the Volume Condition section, set the properties of both domains to that for steel (E=2.e+11 Pa, ν=0.3).
The density and coefficient of thermal expansion are not relevant for this analysis. In the General section
of Volume Conditions, set Equations and Stress Calculation for each volume.
In the Solution Control section, click on Cartesian stress tensor, to get these values written to the DTF file
for post processing. We are now ready to run the problem.
This problem should run quickly. After it runs, read the DTF file into CFD-VIEW, and look at contours of
Sigmaxx and Sigmayy. The stress values are positive in tension and negative in compression. The
applied pressure on the outer surfaces will cause a compressive stress. With a stress intensity factor of 2
for this case, the minimum value of these stresses should be near 20,000.
Stress Module
Examples-Hoop Stress
The figure below shows the grid used for the Hoop Stress study. The geometry consists of an infinitely
long thick-walled cylinder of inner radius 1 m and outer radius 1.5 m. A constant pressure of 10,000 Pa is
applied on the inner surface. The geometry is modeled with 8-noded (first order) brick elements, clustered
near the inner surface, as shown. A 1/4 sector of the cylinder was modeled, with symmetry boundary
conditions on the circumferential and axial faces. The relevant properties are:
• E = 200 Gpa
• ν = 0.30
Geometry for the Stress Analysis

The following figure shows the radial displacement contours (obtained using the Calculator Tool in CFD-
VIEW). Analytical values for the inner and outer displacement are 1.378e-8m and 1.092e-8 m,
respectively.
331
Radial Displacement Contours
Stress Module
Examples-Large Deflection
The figure below shows the initial and final configurations for the large displacement solution of a
cantilever beam deforming under its own weight. The beam has a length of 3 m and a length to thickness
ratio of 30. The beam properties are:
• E = 23400 Pa
• ν = 0.0,
• ρ = 1.0 Kg/m
3
3
Gravitational loading was taken such that the non-dimensional parameter K= WL /EI was equal to 20,
where W is the load per unit length. The table summarizes the analytical and numerical values for
normalized tip deflection (horizontal and vertical).
Large Deflection of a Cantilevered Beam
Normalized Tip Deflections
332
Modules
h/L V/L
Analytical 0.445 0.830
CFD-ACE-GUI 0.443 0.832
Stress-Examples-Validation Cases
Stress Module
Examples-Stress Concentration in a Circular Cylinder
Reference
Roark and Young, Formulas for Stress and Strain, Page 600.
Elements
4 noded tetrahedrals
Properties
E=200 Gpa, ν=0.30
Details
The geometry consists of a circular beam with a diameter change. The large radius is 2.0 m, the small
radius is 1.0 m, and the fillet radius is 1.0 m. The large diameter end is fixed and a tensile force is applied
to the other end. A 1/8 sector modeled with symmetry BC’s. The grid and stress contours are shown
below.
333
Stress Concentration in a Circular Cylinder
Results
Maximum stress concentration:

Roark & Young: 1.33
Stress Module: 1.33
Stress Module
Examples-Thermoelastic Deformation of a Cylinder
Reference
Boley and Weiner, Theory of Thermal Stresses, pg 290.
Elements
4-noded quadrilaterals in axisymmetry.
Properties
E=20 Gpa, ν = 0.0, α = 5.0e-5 K

-1
Details
A cylinder of inner radius r i = 0.5m and outer radius r o = 2.5 m was modeled as a 2D axisymmetrical
geometry. The inner surface was held at a temperature of 200K and the outer surface at 100K, relative to
334
Modules
the unstressed temperature value. A value of ν=0 was used because the sides of the cylinder were
modeled in the Stress Module as symmetric walls (so the problem would not be unconstrained), and thus
no axial displacement was allowed. Using ν=0 uncouples the radial and axial displacements to allow
comparison with the analytical values. The grid and results are shown below. The radial displacement
and circumferential stress are given by:
(9-32)
(9-33)
Results Table
uinner(m) uouter(m) sinner(Mpa) σouter(Mpa)
Analytical 0.00317 0.0159 -73.10 26.90
CFD-ACE-GUI 0.00318 0.0159 -68.78 26.62
335
Thermoelastic Analysis in a Cylinder

Stress Module References
Bathe, K., and Wilson, E.L., Numerical Methods in Finite Element Analysis. Prentice-Hall, 1976.
Belytschko, T., and Mindle, Walu, "The Treatment of Damping" Transient Computation in Damping
Applications for Vibration Control. P.J. Torvik, ed., ASME AMD, Vol. 38, 1980, pp. 123-132.
Benzi, M., Kouhia, R., and Tuma, M., An Assessment of Some Preconditioning Techniques in Shell
Problems. Los Alamos National Laboratory Technical Report LA-UR-97-03892, 1997.
Cook, R.D., Malkus, D.S., Plesha, M.E., Concepts and Applications of Finite Element Analysis. 3rd
Edition, John Wiley and Sons, 1989.
Newmark, N.M., "A Method of Computation for Structural Dynamics.” JEMDiv, 85.EM3 (1959), 67-94.
Roark, R.J., and Young, W.C., Formulas for Stress and Strain. McGraw-Hill, 1975.
Saad, Y., Iterative Methods for Sparse Linear Systems. Boston: PWS, 1996.
Simo, J.C., Algorithms for static and dynamic multiplicative plasticity that preserve the classical return
mapping schemes of the infinitesimal theory, Computer Methods in Applied Mechanics and
Engineering, 99, pp.61-112, 1992.
Zienkiewicz, O. C., The Finite Element Method in Engineering Science. McGraw-Hill, 1971.
Optimal solid shells for nonlinear analyses of multilayer composites. Part I:
Statics '', L. Vu-Quoc and X.G. Tan, Computer Methods in Applied Mechanics
and Engineering, Vol.192, pp. 975-1016, 2003.
336
Modules
Optimal solid shells for nonlinear analyses of multilayer composites. Part

II: Dynamics '', L. Vu-Quoc and X.G. Tan, Computer Methods in Applied
Mechanics and Engineering, Vol.192, pp. 1017-1059, 2003.
Appendix A - Post Processing Variables
Appendix A Post-Processing Variables
Variable Description Units Module

2
D_AnalyteName Diffusivity m /s BioChem
Surfcon_AnalyteName Surface Concentration moles/m2 BioChem
AnalyteName Analyte Concentration M BioChem

Irreversible Analyte
Irrcon_AnalyteName M BioChem
Concentration
Generation Rate of
2
Reaction_Rate Product/consumption Rate of moles/m /sec BioChem
Substrate
Wall_conc_AnalyteName Wall concentration M BioChem
MassFr Mass fraction - Cavitation
Total_Volume_Fraction Total volume fraction - Cavitation
Vapor_Volume_Fraction Vapor volume fraction - Cavitation
Nox_Rate Nox production rate - Chemistry
Progress Progress Variable - Chemistry
React_Rate Reaction Rate - Chemistry
Species name Species Mass fraction - Chemistry
efieldx Electric Field, x-component N/C Electric

Electric Field, imaginary x-
efieldxi N/C Electric
component
efieldy Electric Field, y-component N/C Electric
Electric Field, imaginary y-
efieldyi N/C Electric
component
efieldz Electric Field, z-component N/C Electric
Electric Field, imaginary z-
efieldzi N/C Electric
component
Dielectric constant or relative
el_epsr - Electric
permittivity
el_pot Electric Potential Volt Electric
337
epsr_x_En Weighted electric field normal N/C Electric
Conduction current density,

Jcx_i A/m2 Electric
imaginary x-component
Conduction current density, real

Jcx_r A/m2 Electric
x-component

Jcy_i A/m2 Electric
imaginary y-component

Jcy_r A/m2 Electric
y-component

Jcz_i A/m2 Electric
imaginary z-component

Jcz_r A/m2 Electric
z-component
mu_r Relative Permeability - Electric
pestat Electrostatic pressure N/m2 Electric
Qsurf Surface charge density C/m2 Electric
Qvol Volume Charge density C/m3 Electric
Ω m
-1 -1
sig_i Imaginary part of conductivity Electric
Ω m
-1 -1
sig_r Real part of conductivity Electric
Virtual electric force, x-

vfx_estat N/m3 Electric
component
Virtual electric force, y-
vfy_estat N/m3 Electric
component
Virtual electric force, z-
vfz_estat N/m3 Electric
component
Mach Mach Number - Flow
2
P Static Pressure N/m Flow
2
P_tot Total Pressure N/m Flow
3
RHO Density kg/m Flow
STRAIN Strain - Flow

2
Stream_Function Stream Function m /s Flow
U X-direction Velocity m/s Flow
V Y-direction velocity m/s Flow
Vorticity_Crit Vorticity Criteria - Flow
Vis Effective Viscosity kg/m/s Flow
338
Modules
Vislam Laminar Viscosity kg/m/s Flow
W Z-direction Velocity m/s Flow
COND Conductivity W/m-K Heat
CONDY Y-direction Conductivity W/m-K Heat
CONDZ Z-direction Conductivity W/m-K Heat
CP Specific Heat J/kg-K Heat
2 2
H0 Total Enthalpy m /s Heat
T Temperature K Heat
T_TOT Total Temperature K Heat

2
Wall_Heat_Flux Wall heat Flux W/m Heat
2
Wall_Rad_Flux Wall radiative flux W/m Heat
Magnetic Vector Potential Real x

Ax_r Wb/m Magnetic
Component
Magnetic Vector Potential

Ax_i Wb/m Magnetic
Imaginary x Component
Magnetic Vector Potential Real y

Ay_r Wb/m Magnetic
Component

Ay_i Wb/m Magnetic
Imaginary y Component
Magnetic Vector Potential Real z

Az_r Wb/m Magnetic
Component

Az_i Wb/m Magnetic
Imaginary z Component
J_eddy Eddy current A/m2 Magnetic
Power_dissipation Power dissipation W/m3 Magnetic
RF electric field, imaginary-x

Ex_i N/C Magnetic
component
RF electric field, imaginary-y

Ey_i N/C Magnetic
component
RF electric field, imaginary-z

Ez_i N/C Magnetic
component
|E|rf Magnitude of rf electric field N/C Magnetic
Bx_r Magnetic field real-x component N/A-M Magnetic
339
By_r Magnetic field real-y component N/A-M Magnetic
Bz_r Magnetic field real-z component N/A-M Magnetic

Magnetic field imaginary-x
Bx_i N/A-M Magnetic
component
Magnetic field imaginary-y
By_i N/A-M Magnetic
component
Magnetic field imaginary-z
Bz_i N/A-M Magnetic
component
Virtual magnetic force, x-
vfx_mag N Magnetic
component
Virtual magnetic force, y-
vfy_mag N Magnetic
component
Virtual magnetic force, z-
vfz_mag N Magnetic
component
fx_mag Magnetic force, x-component N Magnetic
fy_mag Magnetic force, y-component N Magnetic
fz_mag Magnetic force, z-component N Magnetic
Te Electron temperature eV Plasma
Ne Electron number density 1/m3 Plasma
nu Collision frequency s-1 Plasma
Jx_Ne Current density, x-component A/m2 Plasma
Jy_Ne Current density, y-component A/m2 Plasma
Jz_Ne Current density, z-component A/m2 Plasma
Ne_avg Average Electron number density m-3 Plasma
Te_avg Average electron temperature eV Plasma
Pwr_avg Average power W/m3 Plasma
Mob_e Electron mobility m2/(V-s) Plasma
dep_avg Deposition rate kg/m2s Plasma
Power Power W/m3 Plasma
E_x x component of ambipolar field V/m Plasma
E_y y component of ambipolar field V/m Plasma
E_z z component of ambipolar field V/m Plasma
D_ScalarName Scalar Diffusion Coefficient kg/m-s Scalar
ScalarName Scalar Name - Scalar
340
Modules
spr_srcu u-momentum source term kg m/s2 Spray
spr_srcv v-momentum source term kg m/s2 Spray
spr_srcw w-momentum source term kg m/s2 Spray
spr_srch enthalpy source term J/s Spray
spr_srcm mass source term kg/s Spray
spr_volfrac spray volume fraction - Spray
spr_disp particle concentration particles/m3 Spray
TauMax Maximum shears stress N/m2 Stress
Sigmazz Cartesian stress component σzz N/m2 Stress
VonMises VonMises Stress N/m2 Stress
Sigmaxx Cartesian stress component σxx N/m2 Stress
Sigmaxy Cartesian stress component σxy N/m2 Stress
Sigmaxz Cartesian stress component σxz N/m2 Stress
Epsxx Cartesian strain component εxx - Stress
Epsyy Cartesian strain component εyy - Stress
Epszz Cartesian strain component εzz - Stress
Epsxy Cartesian strain component εxy - Stress
Epsxz Cartesian strain component εxz - Stress
Epsyz Cartesian strain component εyz - Stress
EpsMax Maximum principal strain - Stress
EpsMin Minimum principal strain - Stress
Shearmax Maximum shear strain - Stress
ShearMin Minimum shear strain - Stress
Fx x-direction reaction force N Stress
Fy y-direction reaction force N Stress
Fz z-direction reaction force N Stress

Dissipation Rate(κ−ε model)
m2/s3
D Specific rate of dissipation (κ−ω Turbulence
s-1
model)
341
K Kinetic energy m2/s2 Turbulence
VIS_T Turbulent Viscosity kg/m-s Turbulence
YPLUS Yplus values - Turbulence
U2 X-direction velocity of 2nd fluid m/s Two Fluid
V2 Y-direction velocity of 2nd fluid m/s Two Fluid
W2 Z-direction velocity of 2nd fluid m/s Two Fluid
RHO2 Density of 2nd fluid kg/m3 Two Fluid
H2 Enthalpy of 2nd fluid kg-m2/s2 Two Fluid
Visc2 Viscosity of 2nd fluid kg/m-s Two Fluid
T2 Temperature of 2nd fluid K Two Fluid
Alpha Volume fraction of 2nd fluid - Two Fluid
Stream2 Stream Function of 2nd fluid - Two Fluid
LiqVOF Volume fraction of 2nd fluid - VOF

Volume fraction at previous time
VOFOld - VOF
step
Rho_1 Density of fluid 1 kg/m3 VOF
Rho_2 Density of 2nd fluid kg/m3 VOF

-1
curvtur curvature m VOF
Rg Grid Parameter - Turbulence
K_length Kologorov length scale m Turbulence
K_time Kolmogorov time scale s Turbulence
K_velocity Kolmogorov velocity scale m/s Turbulence
342
Glossary
A
amplification: An increase in the number of copies of a specific DNA fragement; can be in-vivo or in-vitro
analyte: The substance which a laboratory test aims to detect. In cholesteral testing, the analyte would
be 'cholesterol'. In genetic testing, the analyte could be a specific allele or genetic mutation.
antibody: A protein produced by certain white blood cells in response to a foreign substances (antigen).
Each antibody can bind only to a specific antigen. The purpose of this binding is to help destroy
the antigen. Antibodies can work in several ways, depending on the nature of the antigen. Some
antibodies disable antigens directly, while others make the antigen more vulnerable to destruction
by white blood cells.
antigen: Any foreign or "non-self" substance that, when introduced into the body, causes the immune
system to create an antibody.
assay: A laboratory test to identify and/or measure the amount of a particular substance in a sample
D
DNA Sequencing: Determining the exact order of the nucleotide base paairs (adenine, cytosine,
guanine, or thymine) in a segment of DNA.
DNA/RNA Hybridization: A technique for selectively binding specific segments of a single-stranded (ss)
DNA or RNA by base pairing to complementary sequences on ssDNA molecues.
E
electrophoresis: The separation of charged particles using their different rates of migration in an electric
field
enzyme: A protein that acts as a catalyst, speeding the rate at which a biochemical reaction proceeds,
but not alterning the direction or nature of the reaction
G
Genomics: The study of genes and their function
I
immunoassay: An assay that measures and identifies a specific biological substance such as an antigen
in-vitro: Outside a living organism
in-vivo: Latin phrase meaning "in life"; in the living organism
L
ligand: A molecule that interacts with a receptor
343
polymerase: Any enzyme that catalyzes the formation of DNA or RNA from its component molecules
Proteomics: The study of the full sent of proteins encoded by a genome
R
reaction kinetics: The individual steps that make up a chemically reacting system and the specification
of the rates at which those steps progress.
receptor: A protein or group of associated proteins in a cell or on its surface that selectively binds a
specific substance (call a ligand). Upon binding its ligand, the receptor triggers a specific
response in the cell.
S
Smagorinsky Model: A model where the eddy viscosity is proportional to the square of the grid spacing
and the local strain rate.
SPC: SPC is the acronym for specialized point constraint and is a CFD-ACE+ file type.
sticking probability: The probability that a molecule will adsorb upon collision with the reacting surface.
It is defined as the rate of adsorption divided by the collision frequency with the surface.
stoichiometry: The description of the conservation of mass and elements.
U
under-relaxation: A constraint on the change of a dependent or auxiliary variable from one solution
iteration to the next.
344
Index
2 Bubble Dynamics ........................................... 264
2D axisymmetric ..... 23, 127, 175, 193, 216, 258, Bump ................................................................ 65
268, 281, 294, 306 Buoyant Flows ............................................... 246
2D axisymmetrical .......................................... 336 C
2D Elements ................................................... 325 Calculator Tool ............................................... 333
2D Hydrofoil Simulation.................................. 245 Cantilevered Beam ........................................ 334
2D-axisymmetric .............................................. 23 Large Deflection ......................................... 334
2nd Order Wall Global ...................................... 35 Carreau ............................................................ 23
3 Carreau Law .................................................... 35
3D Elements ................................................... 325 Cartesian Strain Tensor ................................. 322
A Cartesian Stress Tensor ........................ 322, 325
Absorption Coefficient ............................221, 228 Casson Model .................................................. 35
absorption/emission ....................................... 211 Cavitating Flows............................................. 246
Actuators .......................................................... 65 Cavitation ......... 69, 175, 240, 257, 258, 259, 264
Adds Gaussian Integration Points .................. 318 Cavitation Model .................................... 260, 264
Adiabatic........................................................... 77 Cavitation Model Options ............................... 260
Adiabatic Option ............................................... 77 Cavitation Module ... 35, 239, 240, 243, 245, 246,
Advanced Tab ................................................ 318 257, 258, 259, 260, 261, 262, 263, 264
Air Injection..................................................... 264 Cavitation Zone .............................................. 264
Angular Velocity ............................................. 271 Nuclei Population Downstream .................. 264
Applied Pressure ............................................ 308 Centrifugal Pumps ......................................... 243
Applied Sinusoidal Drive Voltage ................... 282 CGS ............................................................... 317
Arbitrary Interface ...... 44, 76, 131, 185, 195, 261 CGS Solver .................................................... 317
Arbitrary Interface Boundary Conditions44, 76, CGS+Pre................................ 137, 188, 199, 262
131, 195 Chemistry Applications .................................. 143
Arrhenius ................................................149, 158 Chemistry Module ..... 35, 70, 130, 143, 144, 146,
Assemble........................................................ 266 148, 174, 175, 176, 182, 185, 187, 188, 189,
Avogadro’s Number ....................................... 149 190, 191, 192
Axial Water Pump Results ............................. 243 Chemistry Module Theory .............................. 148
Axisymmetric ..................................301, 303, 325 Chen .............................................................. 124
choose ........................................................ 301 circumferential........................................ 333, 336
B Combustion .................................................... 192
Backward Angle ............................................. 271 Combustion Reaction Equilibrium .................. 192
Backward Facing Step .............................65, 142 combustors .................................................... 143
Laminar Flow Past ........................................ 65 compared ....................................................... 266
Turbulent Flow Past ..............................65, 142 TFI .............................................................. 266
Binary Diffusion .............................................. 180 Complex Flows Including Separation ............ 142
Biomechanics ................................................... 65 Near-Wall Turbulence Models .................... 142
Bird-Carreau ..................................................... 35 Computational Fluid Dynamics ........ 87, 201, 246
Blackbody ....................................................... 202 Computer Methods ........................................ 338
Spectral Emissive Power ............................ 202 Concentration................................................. 180
Body Forces ................................................... 266 conduction/convection ............................. 65, 234
body-fitted-coordinate .................................... 211 conduction+convection+radiation .................. 233
Boiling/Condensating Flows ........................... 246 Conductivity Calculation .................................. 70
Boltzmann ...................................................... 183 Conductivity Evaluation Methods ..................... 70
Boltzmann’s .................................................... 202 Conjugate Gradient Solver ............................ 266
Bordelon ......................................................... 264 Conjugate Heat Transfer ................................. 66
Boundary Conditions ...................................... 265 Contact Analysis ............................................ 313
Boundary-Layer Flows ................................... 142 Contact Gap ................................................... 313
Boussinesq ..................................................... 102 Contact Target Pair dialog ............................. 313
Boussinesq’s .................................................. 124 Contact Target Pair window ........................... 313
Brick Element Option ..................................... 294 contact/target ................................................. 313
345
Convection .............................................193, 239 Discrete Ordinates Method. ........................... 239

Complex Geometries .................................. 239 discrete-ordinate ............................ 208, 210, 211
convection-diffusion-reaction ......................... 173 solving ........................................................ 211
governing .................................................... 173 discretized .............................................. 210, 211
convection-driven ........................................... 153 Displacement Field Contours......................... 282
Coupled Flow ................................................. 325 High Frequency Resonator ........................ 282
Coupled Fluid/Thermal/Structural Analysis .... 281 Dissipation Rate ............................................. 140
Orifice ......................................................... 281 distance .......................................................... 127
Coupled Radiation .......................................... 239 adjacent-to-wall .......................................... 127
Numerical Simulation .................................. 239 divergence/non-convergence ........................ 325
Coupled Solver ............................................... 147 DNS ............................................................... 104
Coupling Frequency ....................................... 316 DOM ......201, 221, 222, 225, 226, 227, 228, 229,
Critical Damping .....................................289, 301 231, 232
Critical Pressure Scaling ................................ 264 Absorption Coefficient Settings .................. 229
Schiebe Headform Traveling Bubble Radiation Model Widow-Absorption
Cavitation Inception ................................ 264 Coefficient Settings ................................. 229
cross-diffusion ................................................ 102 Radiation Model Window-Emissivity Settings
portion ......................................................... 102 ................................................................ 227
value ........................................................... 102 DOM Method.................................................. 222
Current Point Load ......................................... 309 Radiation Model Settings ........................... 222
Current Scalar ....................... 193, 194, 195, 197 Domain ........................................... 124, 265, 266
Cyclic Boundary Conditions ........................... 314 Domain Definition........................................... 272
cyclic/periodic BC ........................................... 314 Domain Division ............................................. 272
D domains containing ........................................ 265
Damping .................................................301, 338 DRey .............................................................. 124
Damping Applications .................................... 338 DTF ................................................................ 320
Vibration Control ......................................... 338 Dynamic Coefficient ....................................... 140
Data Emissivity Sets ...................................... 226 Dynamic Viscosity ............................................ 35
Database Manager .........................146, 180, 183 Dynamics ............................................... 130, 264
decoupled ....................................................... 233 E
Deformation .................................................... 267 Eddy Viscosity.......... 88, 124, 132, 136, 139, 140
Deformation Module ...............................240, 294 Effective Viscosity .................................... 55, 139
activated ..................................................... 294 Eigenvalue ..................................................... 325
Deforming Grids ............................................. 294 elastic/elastic .................................................. 286
Density .............................................35, 306, 322 elastic/rigid ..................................................... 286
Volume Condition Inputs .............................. 35 elastoplastic ........................................... 294, 325
Deposition Rate .............................................. 190 Electric ................................................... 280, 309
Desired Effect ................................................. 195 Electric Module ...................................... 282, 309
determine .......................................124, 231, 265 electrochemistry ..................................... 143, 176
emissivity .................................................... 231 electron-induced ............................................ 146
Development .................................................. 142 Electrophysics ............................................ 23, 66
Turbulence Models ..................................... 142 Electrostatic Field Distribution ....................... 282
Devices........................................................... 264 Electrostatic Forces ....................................... 325
Dielectric Matrix .............................................. 306 Electrostatic Load .......................................... 282
differencing ................ 51, 82, 137, 188, 199, 262 Accelerometer Under ................................. 282
Different Temperatures .................................. 202 Element Conversion....................................... 294
DIFFUSE Reflection Characteristic ................ 235 Element Order ................................................ 294
Diffusion ......................................................... 193 Set .............................................................. 294
diffusivities ............................. 154, 158, 162, 174 Element Order menu ..................................... 301
diffusivity........ 130, 145, 153, 171, 183, 194, 199 Element Types ............................................... 294
Direct Numerical Simulations ......................... 104 Elements ................................................ 124, 266
Direct Solver ................................................... 317 Ellipsometry ................................................... 239
Direction ......................................................... 124 Elsevier Noth-Holland .................................... 239
Dirichlet .......................................................... 195 emissivities ..................................................... 217
Discrete Ordinate Method .....201, 208, 212, 216, specifying ................................................... 217
218, 221, 222, 225, 229, 231
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emissivity 77, 204, 205, 212, 214, 221, 222, 223, First Order ...................................... 294, 318, 325
225, 226, 227, 231, 232, 235 Fixed Flux ...................................................... 195
determine .................................................... 231 Fixed Mixture ......................................... 186, 187
number................................................226, 227 Fixed Value .................................................... 195
Patch........................................................... 212 Fluid Effects ................................................... 325
Emissivity Set .................................226, 227, 231 Fluid Machinery.............................................. 264
emittance ........................................................ 205 Fluid Mechanics 238 ...................................... 142
terms ........................................................... 205 Fluid Properties .............................................. 257
Emitting-Absorbing ......................................... 205 fluid/solid ........................................................ 325
employing ...............................................124, 145 fluid/thermal/structural ................................... 281
Boussinesq’s .............................................. 124 Flux .......................................... 85, 186, 187, 212
Stefan-Maxwell ........................................... 145 Flux Option ....................................................... 77
Energy Combust ............................................ 142 Forward Angle................................................ 271
Engineering Flows .......................................... 246 specifying ................................................... 271
Engineering Science ...................................... 338 Free Simulations ............................................ 142
Enhanced Brick .............................................. 294 Turbulent Reactive Flows ........................... 142
Enhanced Brick Elements .............................. 325 Free Surface .................... 23, 175, 257, 258, 279
Environment Temperature ............................. 223 Free Surface Module ....................................... 69
EOA Growth Process ..................................... 169 Free, Prescribed Displacement ..................... 307
Equilibrium...................................................... 176 Frequency ...................................................... 289
Equilibrium Reaction Model ........................... 146 Raleigh Damping ........................................ 289
Equilibrium Reactions .................................... 176 Frequency Iterations ...................................... 316
Equivalent Circuit Model .................................. 65 Coupling ..................................................... 316
Squeeze Gas Film ........................................ 65 Frequently Asked Questions ... 56, 141, 192, 200,
Exit Boundary ................................................. 210 235, 264, 279, 325
Expansion Coefficient ............................303, 306 FSI ......................................................... 316, 325
experimentation .............................................. 260 FSI-related ..................................................... 325
Expression..............................................307, 308 Full Algorithm ................................................. 182
choose ........................................................ 307 Full Cavitation Model ..................................... 264
Extension........................................................ 142 Application .................................................. 264
k-w-SST ...................................................... 142 Full Cavitation Model. .................................... 264
External Heat Transfer ..................................... 77 fully-turbulent ................................................. 124
Extremely High ............................................... 223 fully-turbulent region ...................................... 124
F Fung ........................................................... 35, 65
farfield............................................................. 233 G
farfield BC....................................................... 233 gain/loss ......................................................... 211
Fast Monte Carlo Scheme ............................. 239 Gas Diffusion ................................................. 264
Thermal Radiation ...................................... 239 The Effect ................................................... 264
Favre-averaged .............................................. 162 Gas Liquid Flow ............................................. 264
Favre-averaged PDF ...................................... 162 Gas Phase ............................................. 176, 181
Feature Scale Coupling.................................. 190 displays ...................................................... 176
Features-Automatic Re-meshing ...........265, 266 Gas Phase Reactions .................................... 144
Features-User Defined Remeshing ............... 267 Gas Turbine Atomizer .................................... 280
fi 266 Thermoelastic Analysis .............................. 280
Figure ............................................................. 124 Gas Turbine Combustor .................... 65, 86, 192
Filtering Approach .......................................... 142 Gases ............................................................. 205
Final Grid After Dividing Domain .................... 272 Theory-Radiation Characteristics ............... 205
Final Grid After Motion ................................... 272 Gaussian ................................................ 133, 324
Finite Element ........................................266, 325 specify ........................................................ 133
Finite Element Analysis .................................. 338 Gaussian Random Option ............................. 133
Applications ................................................ 338 General Circulation Experiments ................... 142
Finite Element Solution .................................. 266 General Liquid Chemistry .............................. 180
Finite Element Stress .................................23, 66 General Liquid Chemistry Option................... 180
Finite-Rate ...................................................... 176 General Rate.................................................. 146
Finite-Rate Model ........................................... 146 General Scalar ............................................... 193
Species Solution ......................................... 146 create ......................................................... 193
347
Generic ........................................................... 190 use .......................................................... 65, 86

Generic Semiconductor Reactor ................65, 86 values ........................................................... 82
Geometric Non-Linear .................................... 300 Heat Transfer Module Output .......................... 83
geometrical ..................................................... 214 Heat Transfer Settings Mode ........................... 70
Geometry........................................................ 331 heatflux .......................................................... 213
geometry/grid ................................................. 280 Heating ....................................................... 76, 77
geometry/material .......................................... 306 Helium ............................................................ 260
Germano ................................................105, 142 Hellsten .......................................................... 142
Germano Subgrid Scale Closure Method ...... 142 hematocrit ........................................................ 35
Proposed Modification ................................ 142 hemolysis ......................................................... 23
gerotor ............................................................ 240 stress ............................................................ 23
Gibbs ..............................................146, 149, 155 Hemolysis Model.............................................. 23
minimizing ...........................................146, 155 hexahedrals ........................... 292, 293, 294, 301
Giersiepen ........................................................ 65 hf 77
Givi ................................................................. 142 HI.................................................................... 264
governing........................................................ 173 High ................................................................ 223
convection-diffusion-reaction ...................... 173 High Frequency Resonator ............................ 282
gradients/scales ............................................. 235 Displacement Field Contours ..................... 282
Graphic .......................... 139, 190, 199, 234, 263 High Order Wall Local ...................................... 35
Graphic Tab ................................................... 322 High Reynolds ............................................ 88, 95
Graphical Output ........... 137, 199, 234, 263, 324 Highly Non-linear Geometry .......................... 272
GRAY ............................................................. 235 high-Re-number ............................................... 88
GRAY Gray/Non-gray .................................... 235 high-Reynolds .................................................. 96
Grid Deformation Applications ....................... 265 high-Reynolds-number .................................... 88
Grid Deformation Boundary Conditions ......... 270 Hilton Head .................................................... 264
Grid Deformation Features............................. 265 Hinze .............................................................. 264
Grid Deformation Implementation .................. 268 HO2 ................................................................ 149
Grid Deformation Module ......264, 265, 266, 267, Honolulu ......................................................... 264
268, 269, 270, 271, 272, 279, 298, 317 Hoop Stress ................................................... 333
activated ..................................................... 317 Howell ............................................ 202, 207, 239
Describes .................................................... 268 Hydraulic Diameter ........................................ 133
Grid Deformation Module Mode ..................... 269 Hydrofoil. ........................................................ 264
Grid Motion ..................................................... 317 Hydrogen-Air Combustion ............................. 192
checking...................................................... 317 hyper-ellipsoid ................................................ 169
Grid Motion Option Available ......................... 317 estimate ...................................................... 169
Grid Parameter ............................................... 127 I
gridding...... 33, 69, 127, 174, 216, 258, 268, 294 ic1 .................................................................... 77
H ic2 .................................................................... 77
Handbook ....................................................... 239 Ice Melting ............................................ 67, 70, 75
Optical Constants ....................................... 239 activated ....................................................... 75
Hardening ....................................................... 303 Ideal Gas Law .................................................. 35
Parameters N/m2 ....................................... 303 If 266
Heart Valve Prostheses ................................... 65 Heat Transfer Module .................................. 51
Heat Flux .......................................................... 77 ill-conditioned ................................................. 317
Heat Module ..................................................... 85 Im ................................................................... 210
Heat Subtypes .................................................. 77 Image ............................................................. 281
Heat Transfer ... 69, 81, 142, 192, 239, 258, 280, Implicit Damping ............................................ 301
281 Implicit Motion ................................................ 279
k-e Predictions ............................................ 142 Implicit Pressure ............................................ 309
Heat Transfer Implementation ......................... 69 Implicit Shear Stress ...................................... 309
Heat Transfer Module 35, 51, 65, 66, 67, 68, 69, Improved Wall Treatment. ............................. 142
70, 76, 77, 81, 82, 85, 86, 130, 217, 257, 281, In 124, 266
282, 302 Rayleigh Damping ...................................... 301
affect ............................................................. 69 In Critical Damping......................................... 301
CFD-ACE-Solver .......................................... 69 In Situ Adaptive Tabulation .................... 148, 169
If 51 in V2006 ......................................................... 124
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in/outs ............................................................. 133 Iterative Methods ........................................... 338

Inc..................................................................... 87 Sparse Linear Systems .............................. 338
includes .......................................................... 127 ith ................................................... 149, 153, 266
k-w .............................................................. 127 J
incoming ......................................................... 205 J.C .................................................................. 338
W‘................................................................ 205 J.O ................................................................. 264
increase ..................................................280, 302 J.R .................................................................. 239
100K ........................................................... 302 J/kg-K ............................................................... 85
500K ........................................................... 280 J/s................................................................... 234
Inducers.......................................................... 264 jth ................................................................... 266
Influence ......................................................... 264 K
Investigations Concerning .......................... 264 Kato-Launder k-e ............................................. 94
Initial Conditions 51, 82, 136, 169, 187, 197, 233, k-e .................................................................. 124
261, 315 Kelvin ............................................................. 190
specify......................................................... 187 Kinematic Viscosity .......................................... 35
Initial Conditions Panel..... 51, 82, 136, 187, 197, Kinetic Theory ................................................ 176
315 Kirchhoff’s ...................................................... 204
see ................................................51, 197, 315 Kolmogorov .................................................... 171
Initial Temperature ......................................... 315 applying ...................................................... 171
Initial Yield Stress ........................................... 303 Kronecker....................................................... 266
Inlet.................... 44, 76, 131, 185, 195, 232, 270 L
In-plane Constraint ......................................... 309 Lagrangian ............................................... 23, 155
Instantaneous ................................................. 176 Lame .............................................................. 266
Instantaneous Chemistry Model .................... 174 Laminar .................................................. 124, 192
Instantaneous Reaction Model ...................... 146 Laminar Chemistry Operator Splitting............ 148
Instantaneous Reactions................................ 176 Laminar Viscosity ..................................... 55, 124
Integrated Mean Reaction LEM .............181, 182 Large Eddy Simulations .. 87, 104, 127, 130, 137,
integro-differential .......................................... 205 148, 168, 173, 181
Interface ......................................................... 195 Launder .......................................................... 124
introduced—a ................................................. 301 Layer Model ................................................... 124
Investigations Concerning .............................. 264 LES ..........87, 104, 127, 130, 136, 137, 140, 173
Influence ..................................................... 264 LES Module Graphical Output ....................... 140
invoking .......................................................... 212 Li 149, 155, 264
McMahon .................................................... 212 respect ........................................................ 155
involving .........................................147, 149, 213 Lilly ................................................................. 142
1000 ............................................................ 213 Limitations-Arbitrary Interfaces .............. 292, 293
Nsp ............................................................. 149 Limitations-Cyclic/Thin Wall Boundary
surface-adsorbed ........................................ 147 Conditions .......................................... 292, 293
Inward............................................................. 233 Limitations-Limited Element Library....... 292, 293
set ............................................................... 233 Limits .............................. 138, 189, 197, 199, 262
ION ................................................................. 190 LINEAR .......................................................... 306
ioper ............................................................... 190 Linear Analysis............................................... 300
Irrelevant ........................................................ 235 Linear Anisotropic Materials .......................... 303
ACEU .......................................................... 235 choose ........................................................ 303
ISAT .............................. 148, 168, 169, 181, 182 Material Property Inputs ............................. 303
ISAT Threshold .............................................. 182 Linear Eddy Model ................................. 148, 192
ISAT Tolerance .............................................. 182 Turbulent Scalar Transport ........................ 192
Isothermal...................................................75, 77 Linear Eddy Sub-Grid Model ......................... 192
Isothermal Assumption................................... 257 Turbulent Reacting Flows .......................... 192
Isothermal Option ............................................. 77 Linear Extrapolation ....................................... 182
isotropy-of-the-small-scales ........................... 105 Linear Isotropic Materials ............................... 303
ISROMAC-8 ................................................... 264 Material Property Inputs ............................. 303
it’s ...........................................................230, 233 Linear Lateral Resonator Comb Drive ........... 282
iter .................................................................. 316 lines ........................................................ 190, 235
Iteration Tab ................................................... 316 EVOLVE ..................................................... 190
Iterations......................................................... 316 Liq .................................................................... 35
349
Liquid Phase .................................................. 180 Linear Isotropic Materials ........................... 303

Liquid Water ................................................... 214 Non-Linear Isotropic Materials ................... 303
Liquids ............................................186, 187, 259 Material Type ................................................. 303
lists ................................................................. 235 Material Type menu ............................... 303, 306
n0 ................................................................ 235 Materials ................................ 235, 266, 303, 325
lj 155 Number....................................................... 235
Lm ..........................................................124, 205 Mathematical Basis ........................................ 264
Load Subtype ................................................. 308 Max ................................................................ 316
Loads ..............................................307, 308, 309 Max dphi Energy Norm .................................. 325
Local ............................................................... 124 Maximum Additions........................................ 182
Local Material ................................................. 303 Maximum Plot Displacement ......................... 320
Local X-Axis Vectors ...................................... 303 opens .......................................................... 320
Local Y-Axis Vectors ...................................... 303 Maximum Temperature .................................. 182
Localized Dynamic .........................130, 140, 181 setting ......................................................... 182
Localized Dynamic Subgrid Scale Model....... 142 Mazunder ............................................... 213, 239
Turbulent Wall-Bounded Flows .................. 142 MC ................................. 213, 218, 231, 233, 235
Los Alamos National Laboratory Technical performing .......................................... 213, 218
Report LA-UR-97-03892............................. 338 McGraw Hill .................................................... 239
Low ................................................................. 223 McGraw-Hill ................................................... 338
Low Reynolds Number Turbulence Model ..... 142 McMahon ....................................................... 212
low-Reynolds ......................................95, 96, 127 invoking ...................................................... 212
form............................................................... 95 McMurtry ........................................ 171, 173, 192
low-Reynolds-number ...................................... 88 measure ......................................................... 102
LPCVD2 ......................................................... 190 vorticity ....................................................... 102
Lumped - In .................................................... 301 Mech .............................................................. 142
M Mechanical Engineering ................................ 192
M.E ................................................................. 338 Thermal Energy Laboratory Department ... 192
M.M ................................................................ 264 Media ............................................................. 176
M.W ................................................................ 142 MEMs ..................................................... 272, 282
m/m-K .....................................................303, 306 Menon .................................................... 142, 192
m/s....................................................55, 140, 281 Menter .................................................... 102, 142
m/Sc ............................................................... 194 mesopump ..................................................... 282
m’.................................................................... 210 shows ......................................................... 282
m0 .................................................................... 35 Mesopump Cell .............................................. 282
m-1 ................................................................. 235 Solid Model ................................................. 282
m2 ............................................................ 77, 212 meters.eg ....................................................... 235
m2/s............................... 139, 140, 190, 194, 199 Method ................................... 265, 266, 267, 338
m2/s2................................................85, 139, 140 Computation ............................................... 338
m2/s3......................................................139, 140 method uses .................................................. 265
m-3 ................................................................. 149 mI ........................................................... 149, 155
m3-sec............................................................ 191 min/max ......................................................... 262
Mach Number ................................................... 55 Mindle ............................................................ 338
Malasekera ...............................................87, 201 Minf .................................................................. 35
Malkus ....................................................289, 338 minimizing .............................................. 146, 155
March 2000 .................................................... 264 Gibbs .................................................. 146, 155
Mass Conservation .......................................... 25 Minimum Temperature ................................... 182
Mass Diffusion ................................................ 183 Mix JANNAF1 .................................................. 70
Mass Flow Calculations ................................... 23 Mix Kinetic Theory1 ......................................... 70
Mass Fraction ................................................. 146 Mix Kinetic Theory2 ......................................... 35
Mass Matrix Type menu ................................. 301 Mix Polynomial ........................................... 35, 70
Mass Proportional Damping ........................... 289 Mix Sutherland’s Law2 ..................................... 35
Total Damping Included.............................. 289 Mixer Channel Geometry ............................... 281
MassFr ........................................................... 263 Mixer Channel Grid ........................................ 281
Material Non-Linear ........................................ 300 Mixture Fraction ............................................. 145
Material Property Inputs ................................. 303 Mixture Fraction Approach ............................. 176
Linear Anisotropic Materials ....................... 303 Mixture Mass Fraction ... 145, 146, 154, 176, 183
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Models ........................................................ 176 Monte Carlo Radiation Mode ......................... 218

Mixture Solution .....................................146, 158 Monte Carlo raytracing .......................... 213, 218
Mixtures .......................................................... 183 result ........................................................... 213
Mixtures button ............................................... 180 Monte-Carlo Methods .................................... 201
mo .................................................................. 190 Monthly Weather Review 91 .......................... 142
Modal Analysis ............................................... 300 Motion ............................................ 265, 267, 279
Modal Analysis Model .................................... 320 Moving ....................................................... 67, 70
Mode Shape Output ....................................... 320 Solid ............................................................. 70
value ........................................................... 320 Solids ............................................................ 67
Model Definition ............................................. 331 Moving Edge .................................................. 272
Model Explorer ............................................... 306 Moving Edge ae ............................................. 272
Model Options ...... 129, 175, 183, 193, 197, 218, Moving Grid .................................................... 270
259, 269, 270, 294, 299, 307, 313, 316 Moving Grid checkbox ................................... 270
Model Options Panel .... 129, 175, 176, 193, 218, selecting ..................................................... 270
259, 269, 299 Moving Grid Setup ......................................... 272
see ............. 129, 175, 193, 218, 259, 269, 299 Moving Solids ....................................... 67, 70, 75
Model Options Settings .................................. 260 activated ....................................................... 75
Model Options Shared ................................... 299 moving/deforming .......................................... 264
Model Options-Shared ................................... 301 Mpa ................................................................ 336
Model Options-Stress-Modal Analysis ........... 320 mt ................................................................... 124
Model Output .................................................. 320 mTorr ............................................................... 23
Model Setup ...........................................221, 298 Mu_0 ................................................................ 35
Model.0001.DTF ............................................ 320 Mu_inf .............................................................. 35
Model.0002.DTF ............................................ 320 Mu0 .................................................................. 35
shape .......................................................... 320 Muinf ................................................................ 35
model.spc ....................................................... 272 Multi Domain Structures ................................ 272
modelname.DTF ... 139, 190, 199, 234, 263, 322 Multi-component ............................ 145, 149, 183
modelname.e,a .............................................. 190 Multi-component Diffusion ..................... 176, 183
modelname.EVSPEC ..................................... 190 multi-dimensional ........................................... 239
modelname.nn.FSC file.................................. 190 multi-disciplinary ............................................ 280
modelname.nnn.FSC ..................................... 190 Multi-Physics Applications ......................... 23, 66
modelname.out . 55, 85, 190, 191, 199, 200, 234 multiplicative .......................................... 171, 338
modelname.species_name.nn.EVFLX ........... 190 Multi-step Reaction ............................ 65, 86, 192
modelname>.OPTIC ...................................... 235 Mushy .............................................................. 75
modelname>.out file ....................................... 279 choose .......................................................... 75
model-name>.out file ..................................... 279 N
modelname>.PATCH .....................217, 233, 235 Natural Convection .................................... 65, 86
modelname>.PATCH file ............................... 217 Natural Convection Problems .......................... 66
Models menu .................................................. 221 Near-Wall Turbulence Models ....................... 142
Moderate ........................................................ 223 Complex Flows Including Separation ......... 142
Modest, M.F ................................................... 239 Negative Volumes .......................................... 325
Module Graphical Output ............................... 190 Negative Volumes Encountered .................... 325
module’s .............................................23, 66, 144 Nesman.......................................................... 264
Modules Not Supported ................................. 257 New Grid Becomes Orthogonal ..................... 272
Modules-Stress Module ................................. 280 New Numerical Method ................................. 239
modulus ................................. 266, 300, 303, 306 Radiation Heat Transfer ............................. 239
Molecular Wt .................................................... 35 Newmark ................................................ 299, 338
Monitor .....................................................83, 323 uses ............................................................ 299
Monitor Point Definition .................................. 323 Newmark Scheme.......................................... 301
Monitor Tab .................................................... 323 Newton-Raphson ................................... 286, 316
Monte Carlo .. 201, 212, 213, 214, 216, 217, 218, ng_Vol ............................................................ 325
235 ni 149, 155
choose ........................................................ 218 respect ........................................................ 155
use .............................................................. 213 Nitrogen ......................................................... 260
Monte Carlo Method ...............................212, 216 No Melting ........................................................ 75
Monte Carlo Model ......................................... 213 No Solid Cell Wall Boundary ............................ 77
351
No Solidification ............................................... 75 Orszag ..................................................... 91, 142

noded tetrahedrals ......................................... 335 OUT ................................................................. 83
Nodes .............................................265, 266, 267 Outlet ................. 44, 76, 131, 185, 195, 232, 270
non-condensable ........... 239, 246, 260, 261, 264 Output .......53, 83, 139, 190, 199, 234, 263, 319,
level ............................................................ 261 320, 321, 322
pick ............................................................. 260 Output Elapsed Time ..................................... 325
non-dimensional ...............................89, 235, 334 End ............................................................. 325
define ............................................................ 89 Output File Snippet ........................................ 325
None ............................................................... 183 Output Frequency .......................................... 320
non-equilibrium ............................................... 124 Output Location menu ................................... 320
Non-Equilibrium Model ................................... 124 contains ...................................................... 320
Nongray .......................................................... 235 Output Panel ............ 83, 319, 320, 321, 322, 323
Non-Gray ................................................222, 235 Outward ......................................................... 233
NONGRAY Gray/Nongray.............................. 235 set ............................................................... 233
Non-Gray Property Banding ........................... 225 Overview ........................................................ 128
Nongray/Semitransparent .............................. 235 Oxford University Press ................................. 264
Nonhomogeneous Participating Media. ......... 239 P
Non-Linear Analysis ....................................... 300 P_tot ................................................................. 55
Non-Linear Isotropic Materials ....................... 303 Pair Name ...................................................... 313
choose ........................................................ 303 Palik ....................................................... 214, 239
Material Property Inputs ............................. 303 Panel's Graphic .............................................. 322
non-Newtonian ................................................. 23 Panel's Output ....................................... 320, 321
Non-Newtonian Viscosity Options .................... 23 parameterizations .......................................... 173
non-oscillatory ................................................ 289 parameterized ................................................ 173
Normal ............................................................ 124 Parameters N/m2 ........................................... 303
Normal Distance ............................................. 124 Hardening ................................................... 303
Normal Stress ................................................ 324 Parametric ...................................................... 309
Normal Translation Motion ............................. 279 Parametric Input dialog .................................. 309
Normalized Tip Deflections ............................ 334 clear ............................................................ 309
NOx ........................................................145, 191 Parametric Input window ............................... 309
Nuclei Population Downstream ...................... 264 PARTIALLY_SPECULAR .............................. 235
Cavitation Zone .......................................... 264 Passive .......................................................... 194
Numerical Control Settings ............................ 197 Passive Scalar ............................................... 193
User Scalar Variables ................................. 197 create ......................................................... 193
Numerical Damping ........................................ 301 Patch .............................................................. 212
Numerical Methods ........................................ 338 Emissivity ................................................... 212
Numerical Simulation .............................142, 239 Patch File ............................................... 217, 235
Coupled Radiation ...................................... 239 Patel ............................................................... 124
Surface Pressure Fluctuations ................... 142 pdf ..145, 146, 147, 162, 163, 164, 165, 168, 171
O form ............................................................ 162
Omega.............................................................. 51 shape .......................................................... 147
one-dimensional .....................................168, 171 phenomenologically ......................................... 88
sum ............................................................. 168 Phys ....................................................... 303, 306
OPAQUE ........................................................ 235 Phys.Fluids .................................................... 142
opaque/semi-transparent ............................... 231 Physical .......................................................... 124
opaque/transparent ........................................ 231 pI 307, 308
Operator Splitting ...................................168, 181 Piecewise Linear ........................................ 35, 70
Optical Constants ........................................... 239 Piezo .............................................................. 306
Handbook ................................................... 239 Piezoelectric Coupling Matrix ........................ 306
Optical Database File .............................217, 235 Piezoelectric Properties ................................. 306
OPTICAL.DAT ................................................ 235 Planck’s .......................................................... 202
Options ............................ 34, 124, 176, 180, 193 Planck's .......................................................... 202
Options Panel .......... 70, 129, 218, 259, 269, 299 Plane Strain ........................................... 301, 325
order-of-magnitude ......................................... 223 Plane Stress ........................................... 301, 325
Orifice ............................................................. 281 Plesha ............................................................ 338
Coupled Fluid/Thermal/Structural Analysis 281 Point Load ...................................................... 309
352
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point-iterative .................................................. 158 Pseudo MC .................................................... 218

Poiseuille .......................................................... 23 Pump ...................................................... 264, 282
Poisson.................................. 199, 294, 303, 325 Pure Conduction Problems .............................. 66
Poisson Scalar ............................................... 193 Pyramidal ....................................................... 325
create .......................................................... 193 Pyramids ........................................................ 266
Poisson’s ........................................................ 266 Q
Poisson's Ratio.......................................303, 306 quadrature ...................................................... 207
Polarized Light ............................................... 239 Quasi MC ....................................................... 218
Polynomial Constants ...................................... 70 R
Porous Media ................................................. 123 Radial Displacement Contours ...................... 333
Post Processing Variables 55, 85, 191, 200, 324 Radiation ................ 212, 216, 217, 218, 232, 258
Post-Processing Variables ............................. 263 Radiation Heat Transfer ................................. 239
Power Law........................................................ 35 New Numerical Method .............................. 239
Prandtl ..........................................68, 70, 89, 130 Radiation Mode .............................................. 218
Prandtl Number ................................................ 70 Radiation Model ..................................... 221, 233
Pratt ................................................................ 146 Radiation Model Settings ............................... 222
Pratt David...................................................... 192 DOM Method .............................................. 222
Prediction ....................................................... 142 Radiation Model Widow-Absorption Coefficient
Channel ...................................................... 142 Settings ...................................................... 229
pre-exponential .............................................. 149 DOM ........................................................... 229
Prentice-Hall ................................................... 338 Radiation Model window ................ 221, 222, 223
Prescribed Displacement ............................... 307 STS Method ............................................... 223
Pressure ................................ 124, 294, 331, 333 Radiation Model Window-Emissivity Settings 227
velocity sensitized ....................................... 124 DOM ........................................................... 227
Pressure Distribution ...................................... 264 Radiation Model Window-Radiation Sources Tab
Pressure Field Calculations ............................. 23 .................................................................... 230
Pressure Gradient .......................................... 124 Radiation Model-Absorption Coefficient window
Pressure Profiles Without Cavitation Model... 240 .................................................................... 229
Previous ......................................................... 137 Radiation Module .... 65, 201, 202, 204, 205, 206,
Primitive Equations ........................................ 142 207, 208, 210, 211, 212, 213, 214, 216, 217,
Principal Strain ............................................... 322 218, 221, 222, 223, 225, 226, 227, 228, 229,
Principal Stress .............................................. 322 230, 231, 232, 233, 234, 235, 239
Principal Stress Direction ............................... 322 affect................................................... 218, 234
Printed Output ................................................ 234 Describes ................................................... 216
Prisms ............................................................ 266 respect ........................................................ 232
Problem Type ... 33, 69, 129, 175, 193, 217, 258, tell ............................................................... 235
269, 298 Radiation Module Related Graphical Output . 234
Problem Type Panel . 33, 69, 129, 175, 193, 217, Radiation Source ........................... 221, 223, 230
258, 269, 298 press ........................................................... 230
Problem Type/Modules .................................. 331 Radiation Temperature .................................. 233
problem-specific ............................................. 325 Radiation Wavelengths Settings .................... 225
Profile ............................................................. 124 Radiation Window-Emissivity Settings........... 226
Profile 2D..................................................77, 132 STS ............................................................ 226
Progress Variable ........................................... 191 Radiative Heat Transfer ......................... 205, 239
Propane ......................................65, 86, 142, 192 Radiative Wall Heat Flux ............................... 234
Turbulent Mixing .....................65, 86, 142, 192 radiatively ....................................................... 212
Properties . 35, 70, 182, 194, 235, 260, 266, 303, radiosity .......................................................... 207
306 Raleigh Damping ................................... 289, 301
Name .......................................................... 235 Frequency .................................................. 289
set .......................... 35, 70, 182, 194, 260, 303 Ramp ............................................................... 65
Property Database Manager .......................... 187 Random Inlet.................................................. 133
Property Manager .......................................... 186 RANS ................................. 87, 88, 104, 127, 136
proportionality ...........................................88, 154 RANS checkbox ............................................. 136
Proposed Modification.................................... 142 Rapid Thermal Chemical Vapor Deposition . 201,
Germano Subgrid Scale Closure Method... 142 212
Przekwas ........................................................ 239 Rapid Thermal Processing .................... 201, 212
353
realized ....................................................... 212 RMS ....................................................... 133, 136

rate/Specific ................................................... 132 RNG ......................................................... 91, 141
rate-of-progress .............................................. 149 recirculation ................................................ 141
Rayleigh ......................................................... 289 RNG k-e ........................................................... 91
Rayleigh Damping .......................................... 301 root-mean-square .......................................... 132
In 301 Rotating .......................................................... 195
raytracing........................................................ 212 Walls ........................................................... 195
Re*y................................................................ 124 rotating/deforming .......................................... 240
Reacting ......................................................... 246 Rotation .......................................................... 279
Flows .......................................................... 246 Rotation Angle ............................................... 271
Reaction Cutoff Temperature ......................... 181 Rotation Input Variables ................................ 271
set ............................................................... 181 Rotation Machinery. ....................................... 264
Reaction Database Manager ......................... 176 Rotation Omega ............................................. 271
Reaction Forces .....................................321, 322 RPM ............................................................... 240
Reaction Manager .......................................... 146 S
Reaction Rates .......................................190, 191 Sample Grid ................................................... 294
Realizable K-epsilon Model.............................. 92 Analysis ...................................................... 294
realized ........................................................... 212 Sandaram ...................................................... 127
Rapid Thermal Processing ......................... 212 Save LES Statistics........................................ 137
recirculation .................................................... 141 SC Panel ........................................................ 317
RNG ............................................................ 141 Scalar ............................................. 194, 195, 197
Reduced Flow Models ...................................... 23 Scalar Diffusion Coefficient ............................ 200
reduces........................................................... 266 Scalar Diffusivity .................................... 194, 199
Reference ....................................................... 183 Volume Condition Inputs ............................ 194
provide ........................................................ 183 Scalar Module ................................................ 200
Reference Specie ...................................145, 183 Scalar Module Graphical Output.................... 199
reflectivities..................................................... 217 Scalar Name .......................................... 193, 200
Region ............................................124, 266, 267 Scalar Tab ...................................................... 193
Regular Translation ........................................ 279 Scalar Values ................................................. 199
Reisman ......................................................... 264 scalar’s diffusivity ........................................... 194
relaminarization ................................................ 95 Scale Temperature ........................................ 182
Relations ........................................................ 148 scales ..................................................... 124, 133
Relations-Chemical Rate Expressions ........... 149 scales lt .......................................................... 124
Relations-Composition Variables ................... 149 Scaling Factor ................................................ 320
Relations-Introduction .................................... 148 use .............................................................. 320
Relations-Mixture Fractions ........................... 153 Scattering Gray Medium ................................ 205
Relax Tab ....................................................... 317 scheme .......................................... 265, 266, 267
Relaxation ......................................137, 188, 262 scheme applies .............................................. 266
releases .......................................................... 257 Schiebe Headform Traveling Bubble Cavitation
CFD-ACE .................................................... 257 Inception ..................................................... 264
remesh ...........................................265, 269, 270 Critical Pressure Scaling ............................ 264
remeshed ....................................................... 268 Schmidt .................................. 130, 145, 171, 194
remeshing.......................................265, 267, 268 Schmidt Number .................................... 183, 194
renormalization ................................................. 91 Schneck ........................................................... 35
Renormalization Group Analysis .................... 142 Schuller .......................................................... 264
Replace Simulation ........................................ 320 Second Order ................................. 294, 318, 325
Required Inputs ..........................................35, 70 Semi ............................................................... 235
Reset button ................................................... 309 semi-independence........................................ 325
use .............................................................. 309 semi-transparent ............................ 216, 228, 229
Results Table ................................................. 336 Set Residual Frequency ................................ 321
Rey ................................................................. 124 Setup ...................................................... 175, 193
Rey Re*y ........................................................ 124 Setup-Problem Type ................................ 33, 298
Reynolds Averaged Navier-Stokes .................. 87 SGS ....................................... 104, 105, 130, 132
Reynolds stress .............................................. 124 SGS Dissipation Rate .................................... 140
Reynolds-number ............................................. 88 SGS Kinetic Energy ....................................... 140
RKE Model ....................................................... 92 SGS Model ..................................................... 130
354
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SGS Turbulent Kinetic Energy ....................... 132 Species button ............................................... 180
Shared . 33, 69, 70, 176, 193, 218, 259, 269, 316 Species Conservation Options ...................... 145
Shared - When ............................................... 318 Species Diffusivity .......................................... 190
Shared Sections ............................................. 323 Species Flux .................................................. 190
Shared Tab..................................................... 193 Species Fraction Approach ............................ 176
Shear Flows ................................................... 142 Species Mass ................................................. 191
Shear Modulus ............................................... 303 Species Mass Fraction . 145, 146, 154, 176, 181,
Shear Stress .................................................. 124 183, 190
Shear Stress-Related Blood Damage .............. 65 use .............................................................. 190
Estimation ..................................................... 65 Species Mass Fraction Mass Transport ........ 176
Shearmax ....................................................... 324 Species Solution .................................... 146, 158
ShearMin ........................................................ 324 Finite-Rate Model ....................................... 146
Shell Problems ............................................... 338 Species Specification ............................. 186, 187
Shell Surface ..........................................294, 325 Species Thermodiffusivity .............................. 190
Silicon Dioxide ................................................ 214 Specific Heat .............................................. 70, 85
Simple Flow Model checkbox........................... 35 Specific Heat Calculation ................................. 70
Selecting ....................................................... 35 Specific Heat Evaluation Methods ................... 70
simplifies......................................................... 266 Specify Contact Target button ....................... 313
Single-Step Finite Rate Chemistry Model ...... 174 Spectral Characteristic ................................... 235
Singular Value Decomposition ....................... 182 Spectral Emissive Power ............................... 202
Situ Adaptive Tabulation ................................ 168 Blackbody ................................................... 202
Slip Wall Boundary Conditions ......................... 23 specular ......................... 201, 210, 216, 217, 235
Slower ............................................................ 138 SPECULAR Reflection Characteristic ........... 235
Smagorinsky ..................................105, 130, 142 specularity ...................................................... 235
Smagorinsky SGS .......................................... 130 SPEEDIE ....................................................... 190
Solid .................. 67, 70, 193, 239, 302, 303, 306 corresponding............................................. 190
Moving ....................................................67, 70 SPEEDIE DEPO ............................................ 190
set ............................................................... 303 correspond ................................................. 190
Solid Cell .......................................................... 77 SPEEDIE LPCVD .......................................... 190
Solid Model..................................................... 282 SPEEDIE LPCVD1 ........................................ 190
Mesopump Cell ........................................... 282 Speziale ......................................................... 142
Solid Shells.............................................294, 325 Spray .............................................................. 258
Solid VC Type ................................................ 306 Spring Force .................................................. 309
solid/fluid ................................................292, 293 Spring Force Option ....................................... 309
Solid-body Elasticity Analogy ......................... 266 Springer ........................................................... 65
Solidification .........................................67, 70, 75 Squeeze Gas Film ........................................... 65
activated ....................................................... 75 Equivalent Circuit Model .............................. 65
Solve Combustion .......................................... 181 Srinivasan ...................................................... 239
Solve Concentration ....................................... 180 ST Opaque/Semitransparent ......................... 235
Solvers Tab .................................................... 317 Staggered Chemistry ............................. 148, 181
Some Preconditioning Techniques ................ 338 and/or ......................................................... 148
An Assessment ........................................... 338 Standard ........................................ 124, 265, 266
Soret ............................................................... 183 Standard Brick Elements ............................... 325
source/sink ....................................................... 67 standard Galerkin........................................... 266
Spalart Allmaras Model .................................. 136 Static Pressure................................................. 55
Spalart-Allmaras .....................................103, 140 Stefan Maxwell............................................... 183
Spalart-Allmaras Model .................................. 132 form ............................................................ 183
Spalding ........................................................... 89 Stefan-Boltzmann .................... 77, 202, 207, 212
Spalding’s ....................................................... 124 Stefan-Maxwell ...................................... 145, 183
Sparse Linear Systems .................................. 338 employing ................................................... 145
Iterative Methods ........................................ 338 request ....................................................... 183
Spatial Differencing .. 51, 82, 137, 188, 197, 199, Stiffness ................................................. 266, 289
262 Stoffel ............................................................. 264
Spaulding .................................................89, 142 stoichastically ................................................. 171
SPC ................................................................ 272 stoichiometric ................. 146, 148, 149, 154, 158
SPC file ..................................................272, 325 array ........................................................... 149
355
stoichiometrically ............................146, 154, 155 Surface Property ............................................ 235

specify.................................................146, 155 Surface Reaction ....... 65, 86, 144, 176, 186, 192
stoichiometry ..................................146, 148, 158 Surface Reaction Manager .................... 147, 186
STRAIN ............................................55, 335, 338 launch ......................................................... 186
Strain Invariant ............................................... 140 Surface Reflection Characteristics................. 235
strain-displacement ........................................ 286 surface. .......................................................... 142
Stream Function ............................................... 55 surface-adsorbed ........................................... 147
Stress ..... 23, 124, 266, 279, 280, 282, 294, 298, involving ..................................................... 147
299, 302, 306, 307, 313, 314, 316, 317, 318, Surface-to-Surface . 201, 216, 223, 231, 233, 235
321, 322, 325, 331, 335, 338 Sutherland’s Law ............................................. 35
Formulas .............................................335, 338 Swirl Model ...................................................... 23
hemolysis ...................................................... 23 Symmetry ....................................... 195, 307, 312
solving......................................................... 279 choosing ..................................................... 312
VOF ............................................................ 279 T
Stress - Damping Responses ........................ 289 Tangential Vectors ......................................... 314
Stress Analysis ............................................... 333 Target Surface Parameters ........................... 313
Stress Applications ......................................... 280 Target Surfaces ............................................. 313
Stress Boundary Conditions........................... 307 TauMax .......................................................... 324
Stress Calculation .......................................... 331 tells ................................................................. 235
Stress Concentration ...................................... 335 Radiation Module ....................................... 235
Stress Concentration Geometry ..................... 331 Temperature ............................................ 35, 183
Stress Concentration Grid .............................. 331 function ....................................................... 183
Stress Equation Options ................................ 317 Temperature Intervals .................................... 182
Stress Mode ................................................... 302 number ....................................................... 182
Stress Model Options ..................................... 299 Temperature Limits .......................................... 70
Stress Parameters ......................................... 316 temperature-dependent ................................. 149
Stress Solver Control ..................................... 316 term ........................................................ 205, 266
Stress Tab ..............................................294, 299 emittance .................................................... 205
Stress Tab Analysis ....................................... 300 Test Filter Kinetic Energy ............................... 140
Stress/Strain ................................................... 325 tet ........................... 127, 175, 193, 216, 268, 294
Structural Analysis ......................................... 294 Tetrahedral, Prismatic .................................... 325
Structural Analysis Module............................. 325 tetrahedrals .................................... 266, 292, 293
Structural Damping ........................................ 301 TFI .......................................................... 265, 266
Structure .........................................265, 266, 267 compared ................................................... 266
STS 223, 226, 228, 229, 230, 231, 232, 233, 235 TFI if ............................................................... 266
appear......................................................... 226 TFI scheme .................................................... 266
Radiation Window-Emissivity Settings ....... 226 The key .......................................................... 124
STS Method ...........................................223, 226 Thermal .......................................................... 325
Radiation Model Window ............................ 223 Thermal Energy Laboratory Department ....... 192
subgrid............................................104, 148, 171 Mechanical Engineering ............................. 192
mixing ......................................................... 171 Thermal Field Calculations .............................. 66
Sub-grid Linear Eddy Model ..................181, 182 Thermal Gap Model ......................................... 81
Subgrid Scale ................................................. 130 Thermal Radiation.......................................... 239
Sub-iteration ................................................... 223 Fast Monte Carlo Scheme ......................... 239
sublayer ................. 88, 89, 95, 96, 101, 124, 127 Thermal Radiation Heat Transfer .................. 239
sublayers .......................................................... 88 Thermal Stresses ........................................... 336
Substrate Material Name ............................... 235 thermo-diffusion ............................................. 183
SubType ......................................................... 313 Thermo-diffusion button ................................. 183
sum .........................................................139, 168 checking ..................................................... 183
one-dimensional ......................................... 168 thermoelastic .......................... 280, 286, 302, 315
turbulent ...................................................... 139 activated ..................................................... 302
SUMMATION .........................................186, 187 value ........................................................... 315
Sundaram ....................................................... 142 Thermoelastic Analysis .......................... 280, 336
Supersonic Flows .....................................65, 246 Gas Turbine Atomizer ................................ 280
Surface Pressure Fluctuations ....................... 142 Thermoelasticity ............................................. 286
Numerical Simulation .................................. 142 THigh ............................................................... 75
356
fluid_dynamics_back
Thin-Wall Boundary Conditions........................ 44 turbulence-chemistry.............................. 171, 173

Three Dimensional Radiative Heat-Transfer.. 239 resolves ...................................................... 173
three-dimensional ........................................... 171 turbulence-combustion .................................. 147
Time Accuracy ............................................... 299 Turbulence-Combustion Interaction-Application
Time Step Frequency ..................................... 320 .................................................................... 173
Time Steps ..................................................... 320 Large Eddy Simulation ............................... 173
Ending......................................................... 320 Turbulence-Combustion Interaction-In Situ
Starting ....................................................... 320 Adaptive Tabulation ................................... 169
Tools->Utilities................................................ 331 Turbulence-Combustion Interaction-Operator
use .............................................................. 331 Splitting ....................................................... 168
Total Damping Included ................................. 289 Turbulence-Combustion Interaction-Subgrid
Mass Proportional Damping ....................... 289 Linear Eddy Model ..................................... 171
Total Enthalpy .................................................. 85 Turbulent Dissipation Rate ............ 132, 136, 139
Total Pairs ...................................................... 313 Turbulent Flow ............................................... 192
Total Point Loads ........................................... 309 Turbulent Flow Past ................................. 65, 142
Total Pressure .................................................. 55 Backward Facing Step ......................... 65, 142
Total Scalars ......................... 193, 194, 195, 197 Turbulent Flows. ............................................ 142
Total Temperature ............................................ 85 Turbulent Intensities....................................... 140
Total Void Fraction ......................................... 263 Turbulent Kinetic Energy ............... 132, 136, 139
Total_Volume_Fraction .................................. 263 Turbulent Mixing ........................ 65, 86, 142, 192
Transfer Calculations ....................................... 66 Propane .................................. 65, 86, 142, 192
Transfer Module ... 65, 66, 67, 68, 69, 70, 75, 76, Turbulent Reacting Flows .............................. 192
77, 81, 82, 83, 85, 86, 87 Linear Eddy Sub-Grid Model ...................... 192
transfinite ................................................265, 294 Turbulent Reactive Flows .............................. 142
uses ............................................................ 294 Free Simulations ........................................ 142
Transfinite Interpolation..........................265, 272 Turbulent Scalar Transport ............................ 192
Transient Computation ................................... 338 Linear Eddy Model ..................................... 192
Transient Results ........................................... 320 Turbulent Viscosity......................... 124, 139, 140
Translation...................................................... 279 Turbulent Wall-Bounded Flows ...................... 142
transmissibility ................................................ 204 Localized Dynamic Subgrid Scale Model ... 142
Transonic Flows ............................................. 246 Two Fluid Modules ......................................... 175
Transparency Characteristics ........................ 235 Two-dimensional .................................... 168, 301
Triangles, Quadrilaterals ................................ 325 values ......................................................... 168
Triplet Map Illustration .................................... 171 two-dimensional PDF ..................................... 163
turbo-machinery ............................................. 240 Two-Fluid ............................................... 257, 258
Turbomachinery ............................................. 243 two-layer-based ............................................. 124
turbo-pumps ................................................... 240 U
Turbulence ...... 66, 124, 129, 131, 136, 142, 258 ubound ............................................................. 77
use ......................................................142, 258 ucond ............................................................... 70
Turbulence Combustion Interaction ............... 162 ucph_from_t ..................................................... 70
Turbulence Intensity ....................................... 133 UDEFORM_BC .............................. 265, 271, 279
Turbulence Modeling ...................................... 142 udens ............................................................... 35
CFD ............................................................ 142 udiff_scalar ..................................................... 194
Development .............................................. 142 UGRID ................................................... 269, 270
Turbulence Module .... 87, 88, 89, 91, 94, 95, 96, implement ................................................... 270
101, 102, 103, 104, 105, 123, 124, 127, 128, ui 266
129, 130, 131, 132, 133, 134, 135, 136, 137, underhood ...................................................... 201
138, 139, 140, 141, 142 under-relaxation ..... 137, 138, 188, 199, 262, 317
Describes .................................................... 127 Unique Filename ............................................ 320
Turbulence Module Related Graphical Output Unique Simulation .......................................... 320
.................................................................... 139 unreacted ............................................... 154, 158
Turbulence Quantity ....................................... 132 unsqueezed ................................................... 325
turbulence Reynolds ...................................... 124 uouter ............................................................. 336
Turbulence Tab ..............................129, 130, 133 V
Turbulence Theory ........................................... 87 Vandriest Dumping ........................................ 130
turbulence/chemistry ..............................145, 146 Vapor Mass .................................................... 263
357
Velocity ........................................................... 124 Volume Reaction............................................ 180

velocity sensitized .......................................... 124 VonMises Stress ............................................ 324
pressure ...................................................... 124 Vorticity Criteria................................................ 55
Vibration Control ............................................ 338 W
Damping Applications ................................. 338 Wall Functions ............................................... 124
Viscosity ...........................................35, 124, 138 Wall Heat Sources ............................... 67, 77, 81
Viscosity Evaluation Methods .......................... 35 Wavelengths .................................. 225, 227, 229
viscosity-affected ............................................ 124 Wolfstein ........................................................ 124
viscosity-affected region................................. 124 Y
VOF ....................................... 144, 257, 258, 279 YPLUS ....................................... 89, 96, 101, 140
Void Fraction .................................................. 263 yv.................................................................... 124
Volume Conditions 35, 67, 70, 75, 131, 182, 187, Z
194, 228, 229, 231, 235, 260, 264, 265, 267, Zeroth Order Approximation .......................... 182
270, 294, 302, 303, 307, 331 Zone ....................................... 265, 266, 267, 272
Volume Flow Rate .......................................... 240
358
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CFD-ACE+ V2010.

ESI CFD Inc.

Radiation Module Applications .......................................................................................................... 201

ESI Group around the world

ESI GROUP HEADQUARTERS

Fax: +33 (0)1 46 87 72 02

Contact: Kamel Mekki

Portions of this software are owned by Spatial Corp.

Schematic Representation of CFD-ACE+

Radiation DOM Methodology – SnDOM and CAFVM

Unit sphere discretization in CAFVM

• Total number of computed directions =

• Total number of computed directions =

• Total number of computed directions =

Plasma Coupled with External Circuit

Improved Stochastic Heating Model

Improved Efficiency of STS Radiation Restart Capability

Additional Correlation Forms for the Fan Curve Model

New Local Slip Wall BC Specification

New Inviscid Wall Boundary Condition

Improved Mass Flow Balance Summary Output

Improved Energy Flow Balance Summary Output

Enhanced Output Controls

Marangoni Effects of Surface Tension for VOF

Improved Parallel VOF Capability

New Parallel Domain Decomposition

Parallel Processing improvements and the CFD-SOLVER script

Gas phase reaction mechanism for SF6/O2 Plasma Chemistry

Unified LUT Generation for Plasma

Faster Calculation of Momentum Resistance Forces and Moments

Mass Flow Rate BC for Parallel

New Frontal Area Calculation for a Set of Surfaces

New Dielectric Charge Leakage for CCP Plasma

New Realizable K-ε Turbulence Model

User Subroutine Option to Specify Porous Media Resistance Direction

CFD-ACE+ GUI 2010.0

Database Manager Enhancements

New Group Categories

The available categories are:

CFD-ACE+ GUI 2009.4

New Frontal Area Calculation for a Set of Surfaces

• User Manual Overview • Flow

• Appendix C - GUI Scripting

How to execute the software:

How to add shortcuts to the Start Menu:

6. Change the Start in directory to your desired starting location

Region Contact Person 1 Contact Person 2

Australia / New Zealand Chan.Yin.Chau@esi-group.com

Or contact your local ESI Sales Representative.

To find the CFD-ACE-GUI version number or the DTF version number:

To find the CFD-ACE-Solver version number:

Flow Module Introduction to Flow Module

Pressure Field Calculations

Mass Flow Calculations

Flow Module Features and Limitations of the Flow Module

Non-Newtonian Viscosity Options

Slip Wall Boundary Conditions