Micro Structures

ProCAST User Manual
MICROSTRUCTURES
The Microstructure models were improved in version 2006.0. In particular, the

treatment of the thermal algorithm was significantly improved. This allows to
have much larger timesteps than before. Please note that due to this change the
maximum timestep should be kept to reasonable values (i.e. one should make sure
that the solidification range is crossed in several timesteps).
Concerning the prediction of the Casting strength, previously it was only a

function of the grain size. It has been improved in order to be also a function of
the ferrite-perlite fractions. As a consequence, the Casting strength will not be
only dependent upon the thermal history near the solidification, but also upon the
further cooling (i.e. it will depend upon the cooling rates between 700 and 900°C).
INTRODUCTION
The microstructure module of ProCAST is now able to calculate automatically the
microstructures, based upon the composition of the alloy. This can be achieved
with the link of the module with thermodynamic databases.
Depending upon the chemical composition, the microstructure module

automatically detects the phases which will appear and the type of microstructure
which should be computed (dendritic, eutectic, nodular, ...).
For instance, if an Al-7%Si-0.3%Mg alloy is specified (A356), automatically, the

software will detect that primary dendrites will form, followed by an interdendritic
eutectic. On the other hands, if the composition of a Nodular Cast Iron (SGI) is
defined, the nodule counts, the austenite radius, the pearlite and ferrite fractions
will be computed, together with the corresponding mechanical properties (such as
hardness, yield and tensile strength). The software will also automatically detect
that if there is no Magnesium in the cast iron, the structure will be lamellar rather
than spheroidal. In the same way, if the composition is hypo-eutectic, primary
dendrites of austenite will form first before the eutectic precipitation.
The only parameters that the user may need to specify are the nucleation
parameters (see below). This is due to the fact that this is not an intrinsic property
and that it may depend upon the metal treatment. Moreover, it may be necessary
to define the growth kinetics of the eutectic phase (see below)
Version 2006.0 Page 458

ProCAST User Manual
As the microstructure module is linked with the thermodynamic databases, it is

necessary to have the corresponding database license, for the desired base
material.
Nucleation of the primary dendritic grains

The primary dendritic phase (if any) will nucleate and grow as equiaxed grains.
The nucleation of these grains strongly depends upon the alloy treatment and thus
the nucleation parameters should be defined.
The model which is used is based upon the "Gaussian distribution" model
proposed in 1987 by Rappaz et al.(Acta Metall., 35, (1987), 1487 and 2929). This
model defines the relationship between the number of nuclei and the
undercooling. The distribution of the nuclei with undercooling has the form of a
Gaussian distribution and thus, the integral of this curve is an "S-shape" function
(see graphs below).
The mathematical description of this "S-shape" curve is as follows :
with the following definitions :

ProCAST User Manual
Thus, the nucleation behavior of the primary dendritic phase is fully defined by
the three above parameters.
Nucleation of the eutectic grains

The nucleation of the eutectic grains is based upon the model proposed in 1966 by
Oldfield (ASM Transaction, 598, (1966), 945). The number of nuclei is a
powerlaw (Oldfield proposed a quadratic law) of the undercooling.
The model is described by the following equations :
Thus, the nucleation behavior of the eutectic phase is fully defined by the two
above parameters.
Growth kinetics of the eutectic grains

The eutectic is growing with a quadratic power of the undercooling :
Thus, the above constant fully defines the growth characteristics of the eutectic
growth.
Default values
The following table is showing the default values which are used in the
microstructure module for the models described above and for the different alloys.
Of course, the nucleation data may change from one alloy to the other, due to
different metal treatment. These default values corresponds to values proposed in
the literature.

ProCAST User Manual

ProCAST User Manual
CASE SET-UP AND RESULTS

Set-up
The set-up of a microstructure calculation is very simple as the model is based
upon the chemical composition.
Firstly, the problem should be defined as a usual thermal case.
Then, the chemical composition of the alloy should be specified in the

corresponding material properties tab (see below).
For the thermal properties, only the thermal conductivity and the density should be
defined in addition to the chemical composition. Then, the enthalpy needs to be
calculated in PreCAST, with the Thermodynamic database (based upon the
specified chemical composition), using the Lever model for Fe alloys and the
Scheil model for the other systems. Thus, at the end, the thermal conductivity, the

ProCAST User Manual
density, the enthalpy, the fraction of solid, the liquidus and solidus temperatures
are defined.
Finally, the Run Parameter MICRO should be set to 1 (for the users of previous
versions, one should not anymore use values different from 1, as the selection of
the micro model is now automatic). A value of 0 will disable the microstructure
calculation.
If the nucleation or growth parameters have to be changed from the default values
(see Table below), the corresponding Run parameters can be modified (see the
Microstructure Run Parameters section for more details).
Results
Depending upon the alloy composition, the type of microstructure will be
different. As a consequence, the type of results which are computed will also be
different. All the microstructure results can be visualized in the post-processing, in
the "Contour/Micro" menu.
a) Dendritic primary phase and eutectic secondary phase
Most alloys are solidifying with a primary phase of dendrites, followed by inter-
dendritic eutectic. In this case, the following quantities are calculated :

ProCAST User Manual
The "Primary Dendrite Radius" corresponds to the primary grain size. The
"Secondary Dendrite Arm Spacing" (also called SDAS) is the distance between
the secondary dendrite arms of the primary phase.
The "Primary Solid Fraction" corresponds to the fraction of primary phase,

whereas the rest corresponds to the "Fraction of Eutectic".
The "Eutectic Grain Radius" corresponds to the radius of equiaxed eutectic grains
which are nucleating in between the dendrites of the primary phase. Finally, the
"Eutectic Inter-lamellar Spacing" is the characteristic distance of the eutectic
structure.
b) Special case of Fe-C alloys - grey iron (lamellar eutectic)
In the case of grey iron (lamellar eutectic), in addition to the quantities described
above, other quantities can be calculated :
Metastable phases ("Fraction of Metastable Eutectic" and "Metastable Eutectic

Grain Radius"), may appear depending upon the chemical composition and the
local cooling conditions.
The solid state transformations of austenite decomposition into Ferrite and Pearlite
is calculated ("Fraction of Ferrite" and "Fraction of Pearlite", "Pearlite Spacing"),

ProCAST User Manual
as well as the corresponding final mechanical properties ("Tensile Strength",

"Yield Strength" and "Brinell Hardness").
c) Special case of Fe-C alloys - nodular cast iron (eutectic composition)
In the case of Nodular cast iron, nodules of graphite, surrounded by austenite are
formed, instead of eutectic grains. Thus, the "Nodule count" (which corresponds
to the density of graphite nodules), as well as the "Austenite Radius" and
"Graphite Radius" are calculated. The solid state transformations, as well as the
mechanical properties are calculated, as described above. In addition, the
"Elongation" is calculated from the microstructure results.
The Nodular cast iron (SGI) model is activated as soon as there is a non zero
amount of Mg in the chemical composition. Please note that Mg is not an element
which is present in the Computherm thermodynamic database as it will have a
negilible effect on the computed material properties. However, it should be
specified in order to trigger the SGI model.
d) Special case of Fe-C alloys - nodular cast iron (hypo-eutectic composition)
In the case of a hypo-eutectic nodular cast-iron, the same properties as described

above are obtained, in addition to the primary phase calculation of the austenite
dendrites.

ProCAST User Manual
The Nodular cast iron (SGI) model is activated as soon as there is a non zero
amount of Mg in the chemical composition. Please note that Mg is not an element
which is present in the Computherm thermodynamic database as it will have a
negilible effect on the computed material properties. However, it should be
specified in order to trigger the SGI model.
e) Special case of Fe-C alloys - steel
In the case of a steel with the composition of carbon equivalent less than 0.53 , the
following properties are obtained.
The fraction of peritectic is the solid fraction formed from the reaction of liquid
and the existing primary solid phase. The fraction of proeutectoid refers to the
fraction of proeutectoid ferrite or cementite formed from the austenite phase as a
function of time during the solid phase transformation. The carbon equivalent
value controls which type of the proeutectoid phase will form (the "carbon
equivalent" corresponds to %C + (%Si + %P)/3 ).
References
For cast iron, the mechanical properties calculations are based upon the
microstructure, according to two following papers :
Stefanescu et al, Proceedings of the 4th Decennial International Conference on
Solidification Processing, Sheffield, (July 1997), 609.
Goettsch et al, Metallurgical and Materials Transactions, 25A:5, (1994), 1063.

ProCAST User Manual
EXAMPLES
In order to illustrate the application of the microstructure module on the
solidification of nodular cast iron, two calculations were performed with two
different chemical compositions.
To do so, a very simple geometry was used, as shown below. The casting is
cooled from the right with a chill, whereas the rest is in a sand mold.
This set-up produces a full range of cooling rates, as shown in the cooling curves
hereafter.

ProCAST User Manual
The following figure is showing the two alloys which were used, with the
corresponding chemical compositions. The only difference between the two
calculations is the amount of Carbon (from 3.2% to 3.5%).

ProCAST User Manual
The above figure is showing the different kind of results which are automatically
computed for the two alloys. One can see that for the Alloy B, there is no
"Primary phase", as the alloy is lying on the eutectic composition.
The following figures are showing the comparison of the different results. On the
left, the Alloy 1 is shown (3.2% C - Hypo-eutectic) and the Alloy 2 is shown on
the right (3.5% C - Eutectic).
Eutectic phase fraction
Nodule counts

ProCAST User Manual
Austenite Radius
Ferrite fraction

ProCAST User Manual
Pearlite fraction
Brinell Hardness
Elongation

ProCAST User Manual
Tensile strength
Yield strength
Secondary Dendrite Arm Spacing (SDAS)

ProCAST User Manual
One can see that the SDAS is only available for Alloy 1, as there is no dendrites
(i.e. no primary phase) in Alloy 2.

ProCAST User Manual
IRON AND STEEL

In order to run iron micro modeling, the following set-ups are needed in PreCAST and
in the p.dat file :
a. Run Parameters/Micro:
i. MICRO=1
ii. Select Default Values (Gray Iron or Ductile Iron)
iii. Based on the inoculation level change the values accordingly
1. EUNUCL (For ductile iron, default value is 2000 )
2. EUPOWER (For ductile iron, default value is 2.5 )
3.
b. Run Parameters/Thermal
i. MACROFS
ii. PIPEFS
iii. FEEDLEN
c. p.dat file (for SGI only)

i. MOLDRIG (0~1, change it according to the hardness of mold)
ii. GRAPHITE (0~1, default=1.0)
Introduction to Iron and Steel

The study of the micro structure of steels and irons must start with the iron-carbon
equilibrium diagram. Many of the basic features of this system (Fig. 1) influence
the behavior of even the most complex iron alloys. For example, the phases found
in the simple binary Fe-C system persist in complex steels. The iron-carbon
diagram provides a valuable foundation on which to build knowledge of both
plain carbon and alloy steels in their immense variety.

ProCAST User Manual
Figure 1. The iron-carbon diagram.
It should first be pointed out that the normal equilibrium diagram really represents
the metastable equilibrium between iron and iron carbide (cementite). Cementite
is metastable, and the true equilibrium should be between iron and graphite.
Graphite occurs extensively in cast irons (2-4 wt % C), but it is usually difficult to
obtain this equilibrium phase in steels (0.03-1.5 wt %C). Therefore, the metastable
equilibrium between iron and iron carbide should be considered for steel, because
it is relevant to the behavior of most steels in practice.
It is convenient to combine the effect of the silicon with that of the carbon into a
single factor which is called the carbon equivalent (CE):
CE=%C+%Si/3
It is called iron if CE is greater than 2, otherwise it is called steel.
Steel
When the weight percent sum of all elements other than Fe is more than 5% (such
as some alloy steel or stainless steel), only equiaxed dendrite model will be
activated.

ProCAST User Manual
1) Carbon content less than 0.53% (such as Alloy A in Fig. 1)
When the melt alloy cools from an initial temperature higher than the liquidus
temperature down to a temperature slightly below it, the primary delta dendrite
phase begins to nucleate in the liquid until a recalescence occurs due to the heat
released from the growing nuclei. During the recalescence, the nucleation ceases
and the nuclei grow rapidly into dendritic grains and soon impinge on each other
at the end of recalescence. Then the growth of delta dendritic grains is replaced by
the coarsening of delta dendritic arms. When the temperature reaches to the
peritectic temperature, the peritectic transformation starts if there is still liquid
available. Otherwise, the austenite phase precipitates from the delta phase until all
of the delta phase is transformed into the austenite phase. Lastly, when the
temperature of the casting is cooled down to the alpha phase transformation
temperature, the alpha phase precipitates from the austenite phase to the eutectoid
temperature. Below the eutectoid temperature, the graphite of Fe3C phase
nucleates initially on the boundary of the austenite grains and then the coupled
growth of alpha and Fe3C phases leads to the formation of pearlite phase.
2) Carbon content is greater than 0.53% (such as Alloy B in Fig. 1)
When the melt alloy cools from an initial temperature higher than the liquidus
temperature down to a temperature slightly below it, the primary austenite
dendrite phase begins to nucleate in the liquid. The austenite phase will grow until
the end of solidification. There is no peritectic reaction here. When the
temperature of the casting is cooled down to the alpha phase(C<0.8%) or
cementite phase(C>0.8%) transformation temperature, the alpha phase or
cementite phase precipitates from the austenite phase to the eutectoid temperature.
Below the eutectoid temperature, the coupled growth of alpha and Fe3C phases
leads to the formation of pearlite phase.
The eutectoid temperature is around 723°C while the eutectoid composition is

0.80% C. Slowly cooling alloys containing less than 0.80% C, hypo-eutectoid
ferrite is formed from austenite in the range 910-723°C with enrichment of the
residual austenite in carbon, until at 723°C the remaining austenite, now
containing 0.8% carbon transforms to pearlite, a lamellar mixture of ferrite and
iron carbide (cementite). In austenite with 0.80 to 2.06% carbon, cooling in the
temperature interval 1147°C to 723°C, cementite first forms progressively
depleting the austenite in carbon, until at 723°C, the austenite contains 0.8%
carbon and transforms to pearlite.
Steels with less than about 0.8% carbon are thus hypo-eutectoid alloys with ferrite
and pearlite as the prime constituents, the relative volume fractions being
determined by the lever rule which states that as the carbon content is increased,
the volume percentage of pearlite increases, until it is 100% at the eutectoid
composition. Above 0.8% C, cementite becomes the hyper-eutectoid phase, and a
similar variation in volume fraction of cementite and pearlite occurs on this side of
the eutectoid composition.

ProCAST User Manual
Cast Iron
The term cast iron, like the term steel, identifies a large family of ferrous alloys.
Cast irons are multicomponent ferrous alloys. They contain major (iron, carbon,
silicon), minor (<0.01%), and often alloying (>0.01%) elements.
Cast iron has higher carbon and silicon contents than steel. Because of the higher
carbon content, the structure of cast iron, as opposed to that of steel, exhibits a
rich carbon phase. Depending primarily on composition, cooling rate and melt
treatment, cast iron can solidify according to the thermodynamically metastable
Fe-Fe3C system or the stable Fe-graphite system.
When the metastable path is followed, the rich carbon phase in the eutectic is the
iron carbide; when the stable solidification path is followed, the rich carbon phase
is graphite. Referring only to the binary Fe-Fe3C or Fe-C system, cast iron can be
defined as an iron-carbon alloy with more than 2% C. Important notice is that
silicon and other alloying elements may considerably change the maximum
solubility of carbon in austenite. The formation of stable or metastable eutectic is
a function of many factors including the nucleation potential of the liquid,
chemical composition, and cooling rate. The first two factors determine the
graphitization potential of the iron. A high graphitization potential will result in
irons with graphite as the rich carbon phase, while a low graphitization potential
will result in irons with iron carbide. The metastable phase amount has both direct
and indirect effects on the properties of ductile iron castings. Increasing the
volume percent of hard, brittle carbide increases the yield strength, but reduces the
tensile strength and elongation, of ductile iron castings. Because there is no
graphite expansion for the metastable phase, the formation of carbide increases the
likelihood of internal casting porosity.
The two basic types of eutectics - the stable austenite-graphite or the metastable
austenite-iron carbide (Fe3C) - have wide differences in their mechanical
properties, such as strength, hardness, toughness, and ductility. Therefore, the
basic scope of the metallurgical processing of cast iron is to manipulate the type,
amount, and morphology of the eutectic in order to achieve the desired mechanical
properties.
The structure of the matrix is essentially determined by the cooling rate through
the eutectoid temperature range. Slow cooling rates prevalent in heavy sections
promote the transformation of ferrite.
Classification
Historically, the first classification of cast iron was based on its fracture. Two
types of iron were initially recognized:

ProCAST User Manual
• White iron: Exhibits a white, crystalline fracture surface because fracture

occurs along the iron carbide plates; it is the result of metastable solidification
(Fe3C eutectic)
• Gray iron: Exhibits a gray fracture surface because fracture occurs along the
graphite plates (flakes); it is the result of stable solidification (Graphite
eutectic).
With the advent of metallography, and as the body of knowledge pertinent to cast
iron increased, other classifications based on microstructural features became
possible:
• Graphite shape: Lamellar (flake) graphite (FG) as shown in Fig. 4.1 and 4.2,
spheroidal (nodular) graphite (SG) as shown in Fig. 5.1 and 5.2, compacted
(vermicular) graphite (CG), and temper graphite (TG); temper graphite results
from a solid-state reaction (malleabilization.)
• Matrix: Ferritic, pearlitic, austenitic, martensitic, bainitic (austempered).
The correspondence between commercial and microstructural classification, as

well as the final processing stage in obtaining common cast irons, is given in Fig.
2.
Fig.2. Basic microstructures and processing for obtaining common commercial

cast irons

ProCAST User Manual
Graphite is a hexagonal-close pack form of carbon that can grow in both the liquid
and solid forms of iron. In theory, in irons above the eutectic composition of
carbon, the graphite first nucleates in the liquid, and then continues to grow in the
solid. In irons below the eutectic composition, the carbon does not start to grow
until the iron reaches eutectic temperature. As seen in a micro, the larger nodules
are from growth initiated in the liquid, and the smaller nodules are from growth
that does not start until solidification temperatures are reached. The graphite
nodules continue to grow as the iron cools, so the amount of growth that occurs in
the liquid is smaller than what would be assumed by the micro.
The expansion from the graphite that grows in the liquid pushes liquid back into
the riser, and does not offset shrinkage. So in order to minimize shrinkage, it is
necessary to maximize the late formation of graphite without having to reduce the
actual amount of graphite. Understanding what happens in a non-steady state
solidification of Ductile Iron suggests a way that this can be done.
In a hypoeutectic mode of solidification, austenite forms as a solid with a lower

than average carbon content. This increases the carbon content of the remaining
liquid until it reaches the eutectic composition. Likewise, in a hypereutectic mode
of solidification, graphite nodules form in the liquid, removing carbon from the
liquid until it is reduced to the eutectic composition
Fig. 3 Phase diagram showing movement of carbon concentration in liquid metal

as iron solidifies.
It can be seen from the diagram on the previous page, which the maximum
amount of carbon that can be formed in late graphite is determined by the eutectic
composition, and as long as the iron is at eutectic or above, the amount of late
graphite will be the same.

ProCAST User Manual
Iron and Steel models

The following micro models are available in ProCAST:
1. Equiaxed Dendrite Model

The model is based upon the model proposed in 1987 by Rappaz et al. This model
defines the relationship between the number of nuclei and the undercooling. The
distribution of the nuclei with undercooling has the form of a Gaussian
distribution and thus, the integral of this curve is an "S-shape" function. Following
nucleation, the dendrite tip growth is controlled by the supersaturation at the
dendrite tip. This means that the tip growth is based on the total undercooling at
the tip. As the tip grows, the solid fraction in each grain is not known from the tip
position. In fact, the fraction solid is less than the fraction of the grain obtained
from the tip position. At each time, the new tip concentration and fraction solid
are known from a thermal and solute balance at the scale of the grain. The tip
growth velocity is obtained from the Lipton-Glicksman-Kurz model, which
simulates the growth of an isolated dendrite tip. The tip continues to grow until it
reaches the end of the grain. At this point, solid fraction is still less than unity.
However, mixing of the solute is complete at this stage. Therefore, a back
diffusion type equation can be used to calculate solid fraction. If the phase
diagram has a terminal reaction, e.g., eutectic, the remaining liquid gets rapidly
transformed into a solid structure. It is assumed that the temperature of the grain is
uniform and curvature undercooling is neglected. Also it is considered that the

ProCAST User Manual
thermal undercooling is negligible. The growth of the dendrite tip is controlled

mainly by solute diffusion. Therefore, only solutal undercooling is considered.
2. Eutectic Model
This model can be applicable to both regular and irregular eutectics. In the case of
regular eutectics, growth of both phases of the eutectic structure is non-faceted in
nature. For irregular eutectic, the growth process of one of the phases is faceted.
Growth of the faceting phase requires considerably higher entropy of fusion.
Examples of faceted growth are graphite growth in stable austenite/graphite
eutectic and Silicon in Al-Si eutectic. The metastable austenite/cementite eutectic
is an example of non-faceted/non-faceted type eutectic growth. Growth of both the
stable and metastable eutectic are addressed here. Growth of the stable eutectic
usually proceeds at a higher temperature. A higher cooling rate results in the
formation of a metastable eutectic. This model assumes bulk heterogeneous
nucleation at foreign sites which are already present within melt or intentionally
added to the melt by inoculation.
The nucleation of the eutectic grains is based upon the model proposed in 1966 by
Oldfield (ASM Transaction, 598, (1966), 945). The number of nuclei is a power
law (Oldfield proposed a quadratic law) of the undercooling. The growth of the
grains is controlled by thermal undercooling at the solid/liquid interface. Solutal
undercooling is neglected here since solute diffusion during eutectic solidification
is negligible. The thermal undercooling is given by the difference between the
eutectic temperature and the actual solid/liquid interface temperature.
3. Ductile Iron Eutectic Model

The eutectic growth process in ductile iron is a divorced growth of austenite and
graphite, which do not grow concomitantly. At the beginning of the liquid/solid
transformation, graphite nodules nucleate in the liquid and grow in the liquid to a
small extent. The formation of graphite nodules and their limited growth in liquid
depletes the melt locally of carbon in the vicinity of the nodules. This facilitates
the nucleation of austenite around the nodules, forming a shell. Further growth of
these nodules is possible by diffusion of carbon from the melt through the
austenite shell. Once the austenite shell is formed around each nodule, the
diffusion equation for carbon through the austenitic shell is solved in 1--D
spherical coordinates. The boundary conditions are known from the phase diagram
because thermodynamic equilibrium is maintained locally. Conservation of mass
and solute is maintained in each grain. Because of the density variation resulting
from the growth of austenite and graphite, the expansion/contraction of the grain
is taken into account by allowing the final grain size to vary. Toward the end of
solidification, the grains impinge on each other. This is taken into consideration
by using the Johnson-Mehl approximation.
4. Gray/White Iron Eutectic Model

ProCAST User Manual
This model is a special case of eutectic growth model and is applicable to cast
gray/white iron only. In cast iron, one may obtain both gray and white iron
depending on the melt composition and cooling conditions. Given a controlled
melt composition, the most important factor that will determine whether a given
region will solidify as white or gray is the cooling rate. It has been observed that
for a specific melt composition and solidification condition, there exists a
parameter called a critical cooling rate. If a region of a casting solidifies with a
cooling rate higher than the critical cooling rate, then it will be white. The reverse
is the case for gray iron.
5. Ductile Iron Eutectoid Model

This model can be used during the eutectoid transformation while describing the
phase transformation of ductile iron to room temperature after solidification. The
eutectoid reaction leads to the decomposition of austenite into ferrite and graphite
for the case of the stable eutectoid and to pearlite for the metastable eutectoid
transformation. Usually, the metastable eutectoid temperature is lower than the
stable eutectoid temperature. Slower cooling rates result in more stable eutectoid
structure. If the complete transformation of austenite is not achieved when the
metastable temperature is reached, pearlite forms and grows in competition with
ferrite.
Growth of Ferrite:
Even though ferrite can form either from the breakdown of pearlite or from the
direct decomposition of austenite, it is assumed here that ferrite results only from
the latter source. The following assumptions are made for modeling the growth of
ferrite:
1) The austenite to ferrite transformation occurs at steady state and is controlled

by carbon diffusion.
2) The ferrite grains grow as spherical shells within austenite grains and the
number of ferrite grains is equal to the number of graphite nodules.
3) Thermodynamic equilibrium exists at graphite/ferrite and ferrite/austenite
interfaces. These are defined by equilibrium solvus lines extended below the
equilibrium eutectoid temperatures.
4) Diffusion from the ferrite/austenite interface towards austenite is neglected as
diffusion coefficients and concentration gradients in austenite are small compared
to those in ferrite.
Nucleation and Growth of Pearlite:

The nucleation of pearlite usually occurs at austenite grain boundaries. It has been
demonstrated that pearlite colonies grow either as spheres or hemispheres
following nucleation. By the movement of high mobility (i.e., low interface
energy) incoherent interfaces, these colonies can grow edgewise or sidewise into
the austenite. This means that pearlite grows in competition with ferrite until
austenite is completely transformed.

ProCAST User Manual
Transformation of austenite into pearlite is usually modeled with an Avrami

equation because the study of nucleation of pearlite is difficult, especially under
continuous cooling conditions. Also, pearlite grains impinge on each other at an
early stage, especially at a relatively high cooling rate.
6. Gray Iron Eutectoid Model

The gray iron eutectoid transformation model is based on the approach used for
gray iron eutectic. Nucleation and growth of ferrite takes place once the
temperature drops below the stable eutectoid temperature. If the transformation of
austenite is not complete when the metastable eutectoid temperature is reached,
then nucleation and growth of pearlite takes place. The nucleation and growth rate
expressions for pearlite are the same as those for the ductile iron eutectoid model.
7. Peritectic Transformation Model

In a peritectic transformation, liquid reacts with an existing solid phase to form a
new solid phase. In conventional models, the new solid is assumed to form at the
interface between the parent liquid and solid phases. Once the new solid phase is
formed, further reaction between the parent phases is limited by the layer of solid
formed. Hence the rate of reaction is controlled by the diffusion of solute through
the shell of the transformed product. It has been suggested by some researchers
that the peritectic transformation may be achieved through a liquid layer in
between the parent and the product solid phases. This mechanism has been
adopted in the present model. For example, in the case of steel, the austenite phase
forms initially at the root of the dendrite arms of the delta phase and grows along
the delta/liquid interface. The speed of this growth is the same as that with which
liquid moves toward the delta phase. The diffusion problem can be simplified as
the liquid layer is very thin and the diffusion of carbon in the liquid is very rapid
so that the carbon concentration gradient in the liquid is negligible.
8. Solid Transformation Models

This model is only applicable to the Fe-C system and is used for tracking the
fraction transformed for the cases of gamma to ferrite and gamma to cementite.
Prior to reaching the eutectoid temperature, some of the austenite phase may
transform into alpha phase as part of a pro-eutectoid transformation. If you started
with a hypereutectoid composition, the pro-eutectoid transformation will be from
austenite (gamma) to cementite. Both of these pro-eutectoid transformations are
addressed by the current model. The wt% carbon equivalent determines whether
the gamma to ferrite or gamma to cementite transformation will be used. Both of
these models require that the equiaxed dendrite model be chosen for the initial
liquid/solid phase transformation.

ProCAST User Manual
Density calculation during iron alloys solidification:

During gray or ductile solidification, the densities of the different phases are
computed according to the composition of the phase at that particular temperature.
In the calculation, the graphite expansion is included. The densities are updated at
each time based on the temperature. The porosity calculation is based upon the
calculated density (see the "SGI Porosity model" section for more details). The
input density curve in PreCAST will not affect the calculated porosity formation if
micro model is activated.
Iron micro model inoculation setup:

In ProCAST, you can modify the phase nucleation depending on the inoculation
practice in the foundry for iron alloys solidification simulation. The inoculation
will be good if it is in-mold or in-stream with additional melt pretreatment. It is
not as good if the inoculation is only in-ladle. You can change the run parameters
to represent the practice of different inoculation. The higher value of EUNUCL (a
micro run parameter) represents better inoculation. The default value is set to 2000
which should represent pretty good inoculation. Metastable phase can form in the
faster cooling area if the inoculation is not good enough.
Graphite precipitation:
One more micro run parameter for iron alloys solidification simulation is added
called graphite precipitation (GRAPHITE in p.dat) which tells the degree of
graphite precipitation during solidification. It varies from 0 to 1. 1 means that the
graphite expansion potential is completely considered in the simulation so the
casting will have a relatively low tendency of shrinkage. 0 means that the graphite
expansion does not occur hence there is no compensation for the shrinkage of the
liquid during solidification by graphite expansion. During the micro calculation,
the computed expansion part of the density (as a function of the phases present) is
multiplied by GRAPHITE. If GRAPHITE = 0, there will be no expansion,
whereas with a value of 1, the full expansion contribution will be taken into
account in the density. This density is only used if a porosity calculation (POROS
= 1) is made during the microstructure calculation (see the "SGI Porosity model"
section for more details). The value of GRAPHITE will not affect at all the
computed microstructure.
The default value is set to 1.0. This parameter is used to adjust the porosity
formation to the real foundry condition.
Case studies

ProCAST User Manual
A simple geometry casting is used to illustrate the application of the

microstructure module on the solidification of different alloys. The casting is
cooled from the right with a chill (higher heat transfer coefficient). The two bigger
surfaces (back and front) are symmetry. All the other faces are adiabatic.
1. Al 4.9wt%Si
For this alloy, as the temperature cools down, the primary phase forms first. The
possibility to have and the amount of eutectic phase depends on the cooling rate.
With faster cooling rate, there is less amount of primary phase but more eutectic
phase. Fig. 6 shows the comparison of current calculation with some experiment
and other modeling results for the solidification of this alloy.
Fig. 6 Fraction of Eutectic
1) Primary dendrite radius

The PRIMARY DENDRITE RADIUS provides the current position of the
dendrite tip and volume fraction of the dendritic grain as it varies with time. At the
end of the primary solidification, this parameter will equal the final grain radius.

ProCAST User Manual
Primary dendrite radius
2) Primary solid fraction

This reflects the volume fraction of the primary phase formed during
solidification. As stated above, there is more primary phase for lower cooling.
3) Eutectic grain radius (grain radius of the eutectic phase)

ProCAST User Manual
4) Fraction of eutectic
5) Eutectic interlamellar spacing

The INTER-LAMELLAR SPACING parameter determines the fineness of the
eutectic. Smaller values of this parameter provide better mechanical properties.

ProCAST User Manual
2. Ductile Iron (GGG 60)

This is a eutectic ductile iron. There is no primary austenite phase but only
eutectic phase during solidification. If the Carbon Equivalent is less then the
eutectic composition, the first phase comes out would be primary austenite phase
then eutectic.
The AUSTENITE RADIUS and GRAPHITE RADIUS provide the instantaneous

values of the solidified grain size and nodule size respectively. At the end of
solidification, they provide a correct description of the final grain size and nodule
size. AUSTENITE RADIUS AND GRAPHITE RADIUS can be related to the
mechanical
properties of castings. Density is calculated from the local fraction of graphite,
austenite, and liquid, thus capturing the contraction and expansion behavior of
ductile iron. As explained earlier, the stable eutectoid growth refers to the
decomposition of austenite into ferrite and graphite and the metastable eutectoid
growth refers to the decomposition of austenite into pearlite, which is a coupled
growth of ferrite and cementite.
The properties of the iron depend strongly on the relative amounts of ferrite and
pearlite in the matrix. As the pearlite content increases, tensile and yield strengths
also increase, but at the cost of ductility. Ferrite content controls fracture
toughness and dynamic properties of iron. The FRACTION OF FERRITE and
FRACTION OF PEARLITE give the relative amount of stable and metastable
eutectoid structures. The pearlite/ferrite ratio can be related to tensile strength
through its effect on matrix microhardness. Usually, a finer pearlite grain size is
associated with a finer interlamellar spacing with better mechanical properties.
The following run parameters are used.
EUNUCL=1000 EUPOWER=2.5

ProCAST User Manual
1) Nodule counts
2) Austenite radius
3) Graphite radius

ProCAST User Manual
4) Pearlite Spacing
5) Fraction of Ferrite

ProCAST User Manual
6) Fraction of Pearlite
7) Fraction of Eutectic

ProCAST User Manual
8) Fraction of Metastable Phase
9) Tensile Strength

ProCAST User Manual
10) Yield Strength
11) Elongation

ProCAST User Manual
12) Hardness
We can see that it is not 100% stable phase (Eutectic) every where for this casting
after solidification. On the higher cooling area (right side), the metastable phase
(ledeburite) formed. The fraction of stable phase plus the fraction of metastable
phase is 1. The hard brittle metastable phase can form at higher cooling area
when the inoculation is not good enough. The metastable phase can increase the
yield strength but reduce the tensile strength of the ductile iron castings.
3. Gray Iron (GG 20)

ProCAST User Manual
Mechanical properties of the cast grey iron part are a function of the stable and
metastable eutectic volume fractions and grain sizes. FRACTION OF EUTECTIC
gives the amount of the gray eutectic, whereas FRACTION OF METASTABLE
EUTECTIC gives the amount of the white eutectic. In most cases, the gray
structure is more desirable as it gives improved tensile strength and ductility. The
EUTECTIC GRAIN RADIUS parameter gives the gray eutectic grain radius. The
INTER LAMELLAR SPACING parameter calculates the spacing of the gray
eutectic.
1) Fraction of Primary phase
2) Fraction of Eutectic

ProCAST User Manual
3) Fraction of Metastable Eutectic
4) Eutectic grain Radius

ProCAST User Manual
5) Eutectic Interlamelar Spacing
6) Fraction of Ferrite

ProCAST User Manual
7) Fraction of Pearlite
8) Pearlite Spacing

ProCAST User Manual
9) Tensile Strength
10) Yield Strength

ProCAST User Manual
11) Brinell Hardness
Metastable phase can form if the cooling is high enough.
4) Carbon Steel (Plain Carbon AISI 1008 steel)

From the phase diagram, we know that the first phase formed during solidification
is primary austenite. The peritectic reaction happens when the temperature drops
to the peritectic temperature. Usually, peritectic growth is limited by the formation
of the solid transformed product at the reacting liquid/solid phase boundary. The
PERITECTIC FR. OF SOLID parameter gives the volume fraction of solid

ProCAST User Manual
resulting from this reaction. It is important to know the amount of the phase
formed through this reaction, as it usually forms as a surface layer on the primary
dendritic solid phase. As temperature cools down, pro-eutectoid ferrite or
cementite will form depends on the composition until when the temperature
reaches to the eutectoid temperature. Below the eutectoid temperature, the
pearlite forms. FRACTION OF PROEUTECTOID PHASE refers to the fraction
of proeutectoid ferrite or cementite formed from the austenite phase as a function
of time. The carbon equivalent value controls which type of the proeutectoid
phase (ferrite or cementite) will form. If the carbon content is less than the
eutectoid composition 0.8%, the proeutectoid phase would be ferrite phase,
otherwise would be cementite phase.
1) Primary dendrite arms
2) Primary solid fraction

ProCAST User Manual
3) Secondary dendrite arm spacing
4) Fraction of peritectic

ProCAST User Manual
5) Fraction of eutectoid
6) Fraction of proeutectoid

ProCAST User Manual

Micro Structures

Uploaded by

Document Information

Original Description:

Original Title

Copyright

Available Formats

Share this document

Share or Embed Document

Sharing Options

Did you find this document useful?

Is this content inappropriate?

Copyright:

Available Formats

Micro Structures

Uploaded by

Copyright:

Available Formats

ProCAST User Manual

The Microstructure models were improved in version 2006.0. In particular, the

Concerning the prediction of the Casting strength, previously it was only a

Depending upon the chemical composition, the microstructure module

For instance, if an Al-7%Si-0.3%Mg alloy is specified (A356), automatically, the

Version 2006.0 Page 458

As the microstructure module is linked with the thermodynamic databases, it is

Nucleation of the primary dendritic grains

The mathematical description of this "S-shape" curve is as follows :

with the following definitions :

Version 2006.0 Page 459

Nucleation of the eutectic grains

The model is described by the following equations :

Growth kinetics of the eutectic grains

Version 2006.0 Page 460

Version 2006.0 Page 461

CASE SET-UP AND RESULTS

Firstly, the problem should be defined as a usual thermal case.

Then, the chemical composition of the alloy should be specified in the

Version 2006.0 Page 462

a) Dendritic primary phase and eutectic secondary phase

Version 2006.0 Page 463

The "Primary Solid Fraction" corresponds to the fraction of primary phase,

b) Special case of Fe-C alloys - grey iron (lamellar eutectic)

Metastable phases ("Fraction of Metastable Eutectic" and "Metastable Eutectic

Version 2006.0 Page 464

as well as the corresponding final mechanical properties ("Tensile Strength",

c) Special case of Fe-C alloys - nodular cast iron (eutectic composition)

d) Special case of Fe-C alloys - nodular cast iron (hypo-eutectic composition)

In the case of a hypo-eutectic nodular cast-iron, the same properties as described

Version 2006.0 Page 465

e) Special case of Fe-C alloys - steel

Version 2006.0 Page 466

Version 2006.0 Page 467

Version 2006.0 Page 468

Eutectic phase fraction

Version 2006.0 Page 469

Version 2006.0 Page 470

Version 2006.0 Page 471

Secondary Dendrite Arm Spacing (SDAS)

Version 2006.0 Page 472

Version 2006.0 Page 473

IRON AND STEEL

c. p.dat file (for SGI only)

Introduction to Iron and Steel

Version 2006.0 Page 474

Figure 1. The iron-carbon diagram.

It is called iron if CE is greater than 2, otherwise it is called steel.

Version 2006.0 Page 475

1) Carbon content less than 0.53% (such as Alloy A in Fig. 1)

2) Carbon content is greater than 0.53% (such as Alloy B in Fig. 1)

The eutectoid temperature is around 723°C while the eutectoid composition is

Version 2006.0 Page 476

Version 2006.0 Page 477

• White iron: Exhibits a white, crystalline fracture surface because fracture

The correspondence between commercial and microstructural classification, as

Fig.2. Basic microstructures and processing for obtaining common commercial

Version 2006.0 Page 478

In a hypoeutectic mode of solidification, austenite forms as a solid with a lower

Fig. 3 Phase diagram showing movement of carbon concentration in liquid metal

Version 2006.0 Page 479

Iron and Steel models