Modeling Transitional gas ows in X-Stream using DSMC

R. Dorsman and C.R. Kleijn November 3rd 2005

Department of Multi Scale Physics

Delft University of Technology

Outline

CFD in transitional regime Direct Simulation Monte Carlo DSMC and X-Stream

November 3rd 2005

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Department of Multi Scale Physics

CFD in transitional regime

The validity of continuum CFD codes is limited
10
2

g replacements
characteristic length L

10

continuum
na

tra ns itio

10

-2

10

-4

free molecular /L = 0.01 /L = 10

10

-6

10

-8

10

-4

10

-2

10

10

10

10

pressure (Pa)
November 3rd 2005

N2 at 293 K
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Department of Multi Scale Physics

CFD in transitional regime

The validity of continuum CFD codes is limited
10
2

g replacements
characteristic length L
continuum

10

10

-2

10

-4

10

-6

/L = 0.01 /L = 10

free molecular
November 3rd 2005

Department of Multi Scale Physics

tra ns itio na l

10

-8

10

-4

10

-2

10

10

10

10

pressure (Pa)

= 5mm
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CFD in transitional regime

The validity of continuum CFD codes is limited
10
2

g replacements
characteristic length L
continuum

10

10

-2

10

-4

10

-6

/L = 0.01 /L = 10

free molecular
November 3rd 2005

Department of Multi Scale Physics

tra ns itio na l

10

-8

10

-4

10

-2

10

10

10

10

pressure (Pa)

= 50nm
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Transitional regime
The transitional regime is characterized by:
Kn = L between 0.01 and 10: gas-wall and gas-gas collisions inuence the ow

November 3rd 2005

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Department of Multi Scale Physics

Transitional regime
The transitional regime is characterized by:
Kn = L between 0.01 and 10: gas-wall and gas-gas collisions inuence the ow

effects of the particulate nature of the gas: temperature jump velocity slip other non-equilibrium effects
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November 3rd 2005

Department of Multi Scale Physics

Transitional regime
The transitional regime is characterized by:
Kn = L between 0.01 and 10: gas-wall and gas-gas collisions inuence the ow

effects of the particulate nature of the gas: temperature jump velocity slip other non-equilibrium effects
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transitional regime = rareed regime

November 3rd 2005

Department of Multi Scale Physics

DSMC
DSMC can be used in the transitional regime:

converges to the solution of the Boltzmann equation reproduces transitional ow phenomena

November 3rd 2005

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Department of Multi Scale Physics

DSMC
DSMC can be used in the transitional regime:

converges to the solution of the Boltzmann equation reproduces transitional ow phenomena

DSMC is also valid in continuum & free molecular regimes!

November 3rd 2005

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Department of Multi Scale Physics

DSMC
DSMC can be used in the transitional regime:

converges to the solution of the Boltzmann equation reproduces transitional ow phenomena

DSMC is also valid in continuum & free molecular regimes! DSMC is the only advanced general purpose method that is practical for engineering calculations in the transitional regime
November 3rd 2005 5/18

Department of Multi Scale Physics

DSMC simulation method

Flow properties are determined by simulating the movement and collisions of molecules

November 3rd 2005

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Department of Multi Scale Physics

DSMC simulation method

Flow properties are determined by simulating the movement and collisions of molecules Approximations:

molecular motion can be decoupled from collisions timestep t mean collision time

November 3rd 2005

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Department of Multi Scale Physics

DSMC simulation method

Flow properties are determined by simulating the movement and collisions of molecules Approximations:

molecular motion can be decoupled from collisions timestep t mean collision time only a representative number of molecules is simulated ( 750 in 3 )

# F = real # 1010 sim

(N2 at 1 Pa & 293 K)

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November 3rd 2005

Department of Multi Scale Physics

DSMC timestep
3 steps in a DSMC timestep:

move all particles deterministic

November 3rd 2005

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Department of Multi Scale Physics

DSMC timestep
3 steps in a DSMC timestep:

move all particles deterministic calculate collisions Monte Carlo

November 3rd 2005

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Department of Multi Scale Physics

DSMC timestep
3 steps in a DSMC timestep:

move all particles deterministic calculate collisions Monte Carlo sample ow properties

Results are obtained by averaging the samples

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Department of Multi Scale Physics

DSMC movement
= t x v

In each timestep, all molecules are displaced according to = t x v Wall interactions are also computed PSfrag replacements
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Department of Multi Scale Physics

DSMC collisions
All N particles in a cell can collide

cells should be small compared to Normal procedure: #pairs = 1 N (N 1) 2 DSMC procedure: #pairs = 1 N N F 2
(v)max t V

P =F P =

vt V

v (v)max

November 3rd 2005

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Department of Multi Scale Physics

DSMC collisions
All N particles in a cell can collide

cells should be small compared to Normal procedure: #pairs = 1 N (N 1) 2 DSMC procedure: #pairs = 1 N N F 2
(v)max t V

P =F P =

vt V

v (v)max

The collision frequency of simulated particles is equal to the collision frequency in the real ow
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Department of Multi Scale Physics

DSMC collisions

pair is selected from sub-cells collision models: Variable Hard Sphere Variable Soft Sphere viscosity thermal conductivity diffusion internal energy exchange (Larsen-Borgnakke)
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November 3rd 2005

Department of Multi Scale Physics

DSMC output
In each cell

On each surface

velocity temperature pressure density concentrations

number ux momentum exchange normal tangential energy exchange

separate results for each cell, surface element & species

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Department of Multi Scale Physics

DSMC testcase
DSMC testcase by TNO:

Marcel Roos

November 3rd 2005

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Department of Multi Scale Physics

DSMC example
Wafer deposition geometry

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Department of Multi Scale Physics

DSMC example
pressure 0.5 Pa temperature = 700 K SiH4 mfp 2.5 cm Kn 3.5

hole area = 1 mm2 injection velocity = 600 m/s

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Department of Multi Scale Physics

Pre-Stream

November 3rd 2005

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Department of Multi Scale Physics

Post-Stream

November 3rd 2005

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Department of Multi Scale Physics

Post-Stream

November 3rd 2005

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Department of Multi Scale Physics

Post-Stream

November 3rd 2005

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Department of Multi Scale Physics

Post-Stream

November 3rd 2005

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Department of Multi Scale Physics

Post-Stream

November 3rd 2005

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Department of Multi Scale Physics

Post-Stream

November 3rd 2005

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Department of Multi Scale Physics

Finished work

DSMC code integrated in X-Stream: same pre/post processor multi block parallel gas properties output restart le DSMC section in manual 4 DSMC test cases can be run on TNO Cray supercomputer
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November 3rd 2005

Department of Multi Scale Physics

Future work

validation with experiments at TNO expand capabilities: enable grid renement CFD-DSMC coupling (multi domain)

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Department of Multi Scale Physics