Database Menu - Material Material Database Usage Detailed
Database Menu - Material Material Database Usage Detailed
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Material Database
Material Database
Material Database can be accessed from Database menu - Material:
Material Database Usage detailed
(1) Various menus for loading, path settings, unit settings are available for access:
a. File:
i. Export Active Materials: Selected materials from the active database are exported in .xml
format.
ii. Import Materials: Materials are imported from a .db file or an xml file to User, Company or to a
new temporary database. A new folder named “User_Import_Count” is created and the materials
are populated below the new folder.
iii. RecentMatList: Displays the recently navigated materials by the user. This list is saved and
restored between sessions. Allows the user to select a material from the list and the material gets
selected if it exists.
iv. Exit: To exit the material editor.
b. Database menu: Set/load different databases.
There are four different databases, and three DB paths are shown in this panel:
i. PUBLIC: The path of this cannot be modified.
ii. COMPANY: Database can be edited and specifically created for any COMPANY. Browse folder (
) option is available to give path for DB. Created from both XML file formats (MatML and
MTXML) and ProCAST .db files. Company Database is loaded/created after necessary
conversion.
iii. USER: Database which can be exclusively used/edited by User. Browse folder ( ) option is
available to give path for DB. Created from both ProCAST .db files and XML file formats (MatML
and MTXML). User Database is created/loaded after necessary conversion.
iv. Model: This database is available when model is loaded. This DB shows the materials which are
owned by model only.
Clicking on Apply will activate the databases, as shown below.
c. Unit: Units of an entire material can be set from this menu. The available units are User defined, FPS,
SI and CGS.
The User Defined, FPS, SI and CGS units can be saved with a selected material in Database.
When the material is assigned to a volume, the material properties are converted to SI units and saved.
The material names based on region/country can be displayed by setting the required
Region/Country name in Cast Preferences tab in Preferences dialog box.
(2) Databases are changed by clicking on tabs like Public, User, ...
a. Public is a read-only database indicated by a lock icon. The materials in this database can be copied or
exported to .xml files.
b. User and Company databases: User can view, create, modify, and delete of materials and folders.
User can copy/cut/paste/export of materials.
i. Versioning: The User and Company databases has the starting version of 2.1. The databases
less than this version or without any version can be loaded into the current version. Whenever
lower version database is loaded, a file with “filename_Copy.mtxdb” is created and old database
is copied to this file and loaded into material editor. If a higher version database greater than 2.1
is loaded, then user is given a warning message.
ii. Backup: The User and Company databases are backed up once per session when the editor is
launched for the first time after a database integration check. If the integration check fails, then
the database is restored from the previous back of the database.
iii. Password Protection of Company Database: The company database can be protected using a
password against modifications to materials. The protected company database is read only and
no changes to materials are allowed. If the database is unlocked using valid credentials, then the
database is opened for read and write.
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c. Model is also a read-only database consisting of materials owned by the currently loaded model. The
model materials can be copied to user or company databases and exported to .xml files. The changes to
material in model database are saved to the model. The model database lists only the materials which
are not part of public, user or company database but owned by the current model.
(3) Filter: Materials can be filtered by folder using this drop-down list, as shown below.
(4) Explorer tree: Shows the materials available in database and various options like copy. Creating new
materials/folders (USER/COMPANY) in database is also possible.
Right-click on material and select Copy to duplicate material and paste it in Company/User database.
CTRL+C and CTRL+V can also be used for Copy and Paste.
Activate User database by clicking on the User tab ( ). Right-click on any of the materials.
Various other options
a. New Material: To create a new material.
Visual-Environment internally uses OpenSSL library for encryption and decryption operations.
c. Export: To export material(s)/folder(s) to xml file.
d. Drag and Drop of Materials/Folders: Materials can be dragged and dropped over folders in User and
Company databases for better categorization. The folders can be dragged or moved to other folders.
(5) Metadata: Active material metadata details like Description and Name can be entered here.
(6) Different properties of material can be accessed through these tabs. Clicking on and selecting
a tab shows/hides a category tab with properties, as shown below.
(7) Composition is the place where users get access to:
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thermodynamic database (option). The Base element and the solute element compositions are the
inputs to thermodynamic computations.
Properties of materials can be computed with three different diffusion models by clicking on drop-down
combo list of Solid Diffusion Model, as shown below:
When is checked, then m, k and D1 properties, which are required for CAFÉ
Computations, are also computed for the respective solute element compositions. m, k and D1
properties can also be edited manually.
i. Back Diffusion: By inputting cooling rate, properties can be computed using Back Diffusion
Rule (recommended). The default value for cooling rate is 1K/sec.
ii. Scheil
iii. Lever
For technical details about Back Diffusion, Scheil and Lever methods, see chapter: Thermodynamic
Databases.
The recommended range and default composition elements are derived from Computherm
Thermodynamic Databases recommendation.
b. CAFE Computations: An optional model for CAFÉ computations. Refer Computation of Growth
Kinetics (a2 and a3) section for details. m, k and D1 values are the required properties for the CAFÉ
All the computed properties are shown in Blue color in all tabs.
Elements Tree node in Explorer tab for Composition: This option is shown when Composition
category tab is active and Base element is selected to add additional solute elements to the chemical
composition.
The elements that are added using this option are not used in the thermodynamic computations.
i. Add to Composition: Add selected elements to the existing list of solute elements of
Composition tab at the end of default solute elements.
Duplicate element is not allowed as base or to the list of solute elements.
ii. Delete: Deletes the selected list of optional solute elements other than default elements in
Composition tab.
(8) Plot Editor Features
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k. : Dynamic zoom in /out with left mouse button in the curve window.
Folder filter is always taken into account along with search criteria and matching materials
are listed out.
a. Material Filter and Edit Box: To filter Materials based on folder filter or based on criteria. Materials can
be selected in three ways:
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Input “*” in search edit box to clear the search and to list the materials based on the folder
filter.
b. Advanced Search :
Search Syntax
Colon (:) To separate the criteria key and value
Plus (+) To join the criteria with a meaning of BOTH
Two Vertical bars (||) To join the criteria with a meaning of Either Or
Search Criteria
Material Searches Material names with the given value
Property Looks for the specified property inside the material
Property Model Finds given model inside the material
Const.Value The given float value is searched inside materials.
Curve.Value Searches the given float value inside any of curves
defined in materials
String.Value Finds a string type of value defined in materials
Curve.Label Looks for the match of curve label defined in materials.
Country If material has different names in different countries and is
specified for each material, then materials can be found
based on their country. Lists the materials whose name is
defined for the given country like US, EUROPE, CHINA,
JAPAN and INDIA.
Search Examples
Material:EN* Material is the key and EN* is the value
Material:EN* + All materials name starting with EN and having property
Property:Ag Ag
Material:A* || Material: List all materials with name starting with either A or C
C*
c. Recent Search List: On clicking button, a list of most recent successful Searches items pops
up, which enable faster search.
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d. Reset: The button clears active search in the Edit Box and resets the query. The material list is
shown as per the folder filter and the explorer refreshes with the corresponding list of materials.
Input “*” in search edit box to clear the search and to list the materials based on the folder
filter.
When material has data for specific heat, latent heat and Enthalpy, preference is given to Enthalpy data.
The data for specific heat and latent heat is deleted and Enthalpy data is retained.
(12) Tree Tab Panel:
a. Add New Material: A shortcut to create material below the selected folder in User and Company
Databases.
b. Sort Materials: Sorts list of folders/materials in alphabetical order selected any folder.
(13) Right-click options in Category Tabs:
a. Copy/Paste/Clear:
i. Copy: Selected parameter value or list of values are copied and kept in clip board for later paste
operation.
ii. Paste: Paste copied parameter values if the source and target parameter ID list match.
iii. Clear: Clear list of selected parameter values.
b. Hide columns: User can hide only optional columns in every tab.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Technical Details about Material
Database
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active tab with property values is shown in yellow color. Other category tabs like Exothermic, Filter and so on,
are hidden. To add an optional tab, click on (+) tab.
Changes or modifications are only possible in USER/COMPANY database. The default category
tabs are Composition, Thermal and Fluid. The optional tabs like Filter, Exothermic and so on are not
shown when property values are not available.
Then, the material properties are organized in different tabs, with a hierarchical structure. So first let us look
into Composition, Thermal, Fluid properties:
The yellow tabs indicate that values are defined for the corresponding properties. Once a "Thermal" or "Fluid"
tab is selected, it becomes active, and so on. The figure below shows the definition of the thermal
conductivity:
The above figure shows the standard panel for material properties definition. User can define a material
property as a Const.(Constant) or a F(T) (Table) or sometimes as a user’s Function, by selecting the drop-
down option in the Type column, as shown below.
Before entering a Value / Table to a property, please select Value Unit and F(T) unit. Otherwise
changing the units after the definition, converts/ modifies the value of property.
When Const. is selected, the user can choose the units and enter the constant material property in the field
below "Value" column.
When F(T) is selected, the user can input the temperature-dependent property.
When F(t) is selected, the user can input the time-dependent property.
When "Function" is selected, the user can control the property through user function. Please refer User
Functions section for more details.
Above the table, the buttons allow to erase the whole table, erase only the selected line, import or export the
table. For imports, the table should be in the form of a text file, with X and Y values on the same line, separated
by at least a blank. The number of lines should not exceed 200. The export format is the same.
The values of a parameter both const or Table are saved to the database when material is saved.
The same way properties of different options like viscosity or stress types are also save to Database.
All the properties which can be defined as temperature-dependent are organized in the same way. The only
thing which changes is the hierarchy in properties, as shown below for the Fluid/Viscosity/Carreau-
Yasuda/Zero Viscosity definition.
Some of the properties are defined only by constants, such as the latent heat or the filter properties. In this
case, only the corresponding constant(s) should be entered, as shown below.
The following Material Properties section describes the different properties, and when they should be defined.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Material Properties
Material Properties
Good material properties are the best base for a good simulation. Properties could be found in several
locations, such as literature, material suppliers, universities, web, ...
One can get material properties from the following websites.
www.matweb.com is material properties website which contains a lot of useful data.
www.matdata.net is a search engine for material properties.
Public data is ESI data, taken from various public sources and our own experience. Data is seldom intrinsic to
a material, it depends on the state and preparation of the material.
Another way to obtain material properties is through the Thermodynamic Databases (option) which are
embedded into Visual-Cast (see the Thermodynamic Databases section for more details).
Thermal Problems
No phase change
For thermal problems (with or without solidification), the minimum data required is the following (typically for
mold materials):
Thermal conductivity
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Specific heat
Density
These properties can be either constant or temperature dependent.
where cp(T) is the specific heat as a function of temperature, L is the latent heat and fs is the fraction of solid.
As there are two ways of defining the phase change, the software automatically detects if there is a conflict in
order to have either:
Specific Heat
Latent Heat
or
Enthalpy
Density
The density is used in thermal calculation (it multiplies the specific heat, the enthalpy and the latent heat), as
well as in fluid flow calculations and in porosity calculations. Please refer to the Porosity models section for
more details about the density definition.
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with:
strain rate
phase shift
n Power law coefficient
a Yasuda coefficient
The above parameters can be defined in the database (as constants or as function of temperature) as
follows:
The Power-cutoff is used in the case of Semi-Solid casting.
Surface tension
The surface tension is based on the standard formulation which says that the pressure difference across the
free surface is proportional to the free surface curvature. Air pressure and this pressure difference are used on
the free surface nodes in the flow calculation. As the curvature has to be computed, the results are only reliable
if enough mesh points reasonably describe such smooth surface. Surface tension may be used in the following
situations: thin jets, droplets formations, free surface motion, ...
Permeability
For a casting material, the permeability is defined by a Carman-Kozeny model, modified by Beckermann at low
fraction of solid. The user has also the ability to define its own permeability table, as a function of Fraction of
solid. In this case, a high permeability corresponds to a "free flow", whereas a low value corresponds to "no
flow". For "casting" materials, the permeability is applied only in between the solidus and the liquidus
temperatures.
For mold materials (in the case of lost foam or any case run with GAS 2 model), a permeability should be
defined. In this case, one can define a constant or a temperature dependent permeability.
In ProCAST, mold permeability is entered in terms of a length unit.
In QuikCAST, it is in terms of a GF index.
Most foundries (at least in North America) use an AFS index.
Here is the conversion between all of them:
Please use the following Units conversion for the value of the Permeability (K):
2
where the units of “K” are cm .
For Filter materials, if the Permeability is defined, it will override the default permeability calculated from the
Filter tab.
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Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Thermodynamic Databases
Thermodynamic Databases
Material properties, such as the enthalpy curve and the solidification path (i.e., the fraction of solid curve versus
temperature), density, viscosity and thermal conductivity as well as elastic and yield stress data can be
computed automatically from thermodynamic databases.
Visual-Cast has an automatic link with thermodynamic databases to calculate these properties. It is thus
possible to compute the enthalpy curve, the fraction of solid curve, the density, the viscosity and the thermal
conductivity, based upon the chemical composition, for the following systems and the following alloying
elements:
Al database:
Ag Al B C Cr Cu Fe Gd Ge Hf Li Mg Mn Ni Sc Si Sn Sr Ti V Y Zn Zr
Fe database:
Al B C Co Cr Cu Fe Mg Mn Mo N Nb Ni P S Si Sn Ti V W Zr
Ni database:
Al B C Co Cr Cu Fe Hf Ir Mn Mo N Nb Ni Pt Re Ru Si Ta Ti W Zr
Ti database:
Al B C Cr Cu Fe H Mo N Nb Ni O Si Sn Ta Ti V Zr
Mg database:
Ag Al C Ca Ce Cu Fe Gd La Li Mg Mn Nd Ni Sc Si Sn Sr Y Zn Zr
Cu database:
Al B Bi C Cr Cu Fe Mn Ni P Pb Se Si Sn Ti Zn
Co database:
Al B C Cr Fe Mo Ni Re Ta W Pt
Al database:
1: Modified the Eta_Prime and C14 laves phase as requested by Kaiser Aluminum to get rid of the miscibility
gaps of these two phases above 90F for the precipitation simulation of Al-Mg-Zn-Cu alloys.
2: The Al-Fe-Zn ternary system was revised in order to describe the Australia (AZ and AM) alloys.
3: The Al-Ag, Ag-Cu binary systems and Al-Cu-Ag ternary system were updated on the basis of reference [1, 2]
Graphical illustrations
4: The Al-Fe, Al-Si binary systems were updated on the basis of Du’s work [3]. The stability of Al2Fe and
Al5Fe2 were modified.
Graphical illustrations
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References:
1. Witusiewicz, V.T., et al., The Ag-Al-Cu system part I: Reassessment of the constituent binaries on the
basis of new experimental data. Journal of Alloys and Compounds, 2004. 385(1-2): p. 133-143.
2. Witusiewicz, V.T., et al., The Ag–Al–Cu system: II. A thermodynamic evaluation of the ternary system.
Journal of Alloys and Compounds, 2005. 387(1-2): p. 217-227.
3. Du, Y., et al., A thermodynamic description of the Al–Fe–Si system over the whole composition and
temperature ranges via a hybrid approach of CALPHAD and key experiments. Intermetallics, 2008. 16
(4): p. 554-570.
Ni database:
Minor changes: Modified Co-Si and Hf-Si binaries and some C-related ternaries
Ti database:
Added full descriptions for many binaries and modified O-related binaries:
Al-Mn, Al-Mo, Al-O, B-Mn, B-Si, B-V, C-Mn, Cr-O, Cu-Mo, Cu-Nb, Cu-Ni, Cu-Si, Cu-Sn, Cu-Ta, Cu-Zr,
Fe-O, Fe-Si, H-Ti, H-Zr, Mn-Mo, Mn-Nb, Mn-Ni, Mn-Ta, Mo-Ni, Mo-Sn, Nb-Ni, Nb-O, Nb-Si, Ni-Sn, Ni-Zr,
O-Ni, Si-Sn, Si-Ta, Si-V, V-Zr
Fe & Mg database:
Only minor modifications were made for the PanFe and PanMg databases
The other alloying elements which are not present in this list are not available in the database and will have no
effect on the computed material properties. More details about composition recommendations are given in the
Databases Recommended Range section.
To activate the thermodynamic database, one should go in the Composition tab of the material properties
window.
Then the Base alloy (i.e. Al, Fe, Co, Cu, Ni, Ti or Mg) should be set, then all alloying element with its
concentration (in weight percent) are displayed. Once the chemical composition is entered, left-click on
Compute Properties, as shown above, to get options like "Scheil" or "Lever" or "Back Diffusion" or Multiple
solidification, to start the computation of the properties.
The trace elements below 0.01% should not be entered as it can affect the convergence of the
computation.
Scheil and Lever correspond to two different microsegregation models. In the case of "Lever", the Lever
Rule is applied, which corresponds to a complete mixing of the solute in the solid (i.e., very good diffusion in
the solid). On the other hand, the Scheil model corresponds to no diffusion at all in the solid phase (both
models consider complete mixing or infinite diffusion in the liquid). The "Back Diffusion" model allows for some
diffusion in the solid and corresponds thus to a situation in between the Lever Rule and Scheil.
When the "Back Diffusion" model is used, an average cooling rate (corresponding to a representative
cooling rate of the casting to be modeled) should be specified in order to determine the amount of back
diffusion.
Please note that the cooling rate should not be set below 0.01 K/s. If a lower value is needed,
please use the Lever Rule model.
For iron and carbon steel, the Lever rule is still recommended.
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The main difference between the three models is the shape of the fraction of solid curve at the end of
solidification, as well as the solidus temperature ( see figure below).
The following figure shows the influence of the different models on the fraction of solid curve for an A356
alloy (Al-Si7%-Mg0.3%). The curves labeled 0.1 K/s and 1.0 K/s correspond to the "Back Diffusion" model with
these cooling rates. For such alloy, the Lever Rule model will correspond to low cooling rates (below 0.01 K/s),
whereas the Scheil model will correspond to high cooling rates (above 20 K/s). One can see that the back
diffusion has a quite important effect on the solidus temperature.
On the following alloy (Mar-M 200 Hf), the difference in the solidus temperature between the Scheil model
and the Lever rule is 550 degrees!
It is recommended to use the "Back Diffusion" model with a representative cooling rate. However,
when this is not known, it is recommended, for most alloys, to use the Scheil model, except for low alloy
steels where the diffusion in the solid is very fast.
Usually, solidus temperature from handbook refers to the equilibrium condition that could be
calculated using the lever or the back diffusion model with a cooling rate of 0 k/s.
However it is recommended for the calculation to use a realistic cooling rate to compute the material
properties.
The multiple solidification model allows the user to consider multiple cooling rates. The back diffusion
method is executed for all the given cooling rates. The first cooling rate is used to update the all material
properties. The rest of the cooling rates are used to update the multiple slopes for the curves of Enthalpy and
Fraction of Solid.
The multiple slopes for the curves of Enthalpy and Fraction of Solid are displayed, as shown below.
To activate this model, the parameter MFSPATH must be activated from the Thermal tab of Simulation
Parameters, as shown below.
This model cannot be used in combination with MICRO 1.
In the example above, when the Scheil button is selected, the following curves appear:
One could see the fraction of solid curve, as well as the fractions of the different phases as a function of
temperature.
In the same time, automatically, the fraction of solid curve, the liquidus and solidus temperatures, the enthalpy
curve, the density, the viscosity and the thermal conductivity are stored in the database, as shown hereafter
(of course the values are finally stored only when the "Save" button is pressed, before exiting the database).
Please note that when a thermodynamic database is used, as the enthalpy is calculated, the specific heat and
the latent heat should not be defined (as they are contained in the enthalpy).
During the Thermodynamic database calculation, a file named "prefix.phs" is created. It contains for each
temperature the phase fractions, as well as the composition of each phase. This information is not needed for a
ProCAST calculation, but it can be interesting for other purposes (e.g. growth kinetics calculations).
In Visual-Cast, it is written in temp directory: Please type %temp in command prompt of window to
get this path.
For example, it is written as shown in below path.
For some chemical compositions, it may happen that the software which extracts the data from the
Thermodynamic database is not able to find the right set of stable phases at low temperature.
Usually, this does not affect the determination of properties of interest (which are nearer the solidification
range). Thus, it is possible to use the calculated values as such. If such a situation occurs, one should check
the calculated data in order to be sure that it covers at least the temperature range of interest.
In very few cases, it is possible that the density calculation does not give relevant results. In such a situation,
this result should not be used (or the wrong values should be erased).
As a general rule, if the results are not realistic, it is advised to suppress (i.e. ignore) the elements which are
present in very low concentrations. This is especially true for traces of Sulfur (S) and Phosphorus (P) in steels,
which sometimes "corrupt" the results.
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Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Computation of Thermophysical
Properties Based On the Different Segregation Models
Hence, the predicted thermos-physical properties can be different at low temperature. On the other hand, those
properties should be quite close at above the solid phase change temperature, which is around 700°C for Fe-
based alloys. As a result, thermal analysis will not be affected much since casting FE analysis mainly focuses
on high temperatures.
Figures 2 shows the calculated enthalpy curve on those three methods. It clearly shows the phases change
for Lever but not Scheil and Back Diffusion.
Figures 3 shows the calculated thermal conductivity curve on those three methods. Because of the different
phases predicted, the predicted thermal conductivities are different below the solid phase change temperature.
Figures 4 shows the calculated density curve on those three methods. It clearly shows that there is no solid
phase change for Scheil calculation but there is one for Lever. As for Back Diffusion, a model is introduced to
predict the expansion during cooling based on the cooling rate at solid for Fe-based alloys in order to have a
better stress prediction.
In summary, the predicted thermal physical properties can be different between different calculation methods
even for the same alloy, particularly for Fe-based alloys. The density calculation for Back Diffusion is modeled
in order to better reflect the expansion based on the cooling rate. Similarly, thermal conductivity based on Back
Diffusion method can be modeled in the future.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Calculation of Stress Properties
Stress Properties are automatically calculated in Visual-Cast whenever we use "Scheil" or "Lever"
or "Back Diffusion".
Please note that the other Stress properties (i.e. hardening, viscoplastic, ...) cannot be calculated at this stage
(for Al, Mg and Fe only, the Yield stress can be calculated). Thus these properties will remain empty.
The following figures show examples of computed Stress data from C95300.
There may be thermal expansion when computing the aluminum chemical compositions.
The Yield Stress can be calculated for Al, Mg and Fe systems. Moreover, the Yield Stress calculation takes
into account the effect of the microstructure (mainly the SDAS) through the cooling rate. The following figure
shows the calculated Yield Stress of the A356 alloy, for different cooling rates:
One can see that the effect is very strong as it can change by about 100% between low and high cooling rates.
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Al Database
Developed for Al-rich alloys such as commercial casting and wrought alloys. Tested with more than 40
commercial Al alloys.
20 Components:
Major alloy elements: Al, Cu, Fe, Mg, Mn, Si, Zn
Minor alloy elements: Ag, B, C, Cr, Gd, Ge, Hf, Li, Ni, Sc, Sn, Sr, Ti, V,
Y, Zr
Fe Database
Developed for Fe-rich alloys.
21 Components:
Major alloy elements: Fe, Co, Cr, Mo, Ni, V, W.
Minor alloy elements: Al, B, C, Cu, Mg, Mn, N, Nb, Ni, P, S, Si, Ti.
Mg Database
Developed for commercial Mg-rich alloys
21 components:
Major alloy elements: Mg, Al,Ca, Ce, Gd, Li, La, Mn, Nd, Ni, Si, Sn, Sr, Y,
Zn.
Minor alloy elements: Ag, C, Cu, Fe, Sc, Zr.
Contains more 445 phases where 160 assessed (refer to the separated manual
for more details).
Ni Database
Developed for commercial Ni-rich alloys.
22 Components: Al, B, C, Co, Cr, Cu, Fe, Hf, Ir, Mn, Mo, N, Nb, Ni, Pt, Re,
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Ti Database
Developed for commercial Ti-rich alloys such as alpha, alpha+beta, and beta alloys.
18 Components: Al, B, C, Cr, Cu, Fe, H, Mo, N, Nb, Ni, O, Si, Sn, Ta, Ti, V
and Zr
Cu Database
Developed for commercial Cu-rich alloys.
16 Components:
Major alloy elements: Cu, Cr, Fe, Ni, Pb, Si, Sn, Zn
Minor alloy elements: Al, B, Bi, C, Mn, P, Se and Ti
Co Database
Developed for commercial Co-rich alloys.
11 Components: Al B C Cr Fe Mo Ni Re Ta W Pt
Please note that Pb is a very "delicate" allowing element (i.e., it is very difficult to predict accurately the phases
formed in the presence of Lead) and its addition may lead to odd results. This is a known problem of the
CompuTherm database and it is not linked to ProCAST itself. If odd results are obtained, the amount of Pb
should be reduced for the calculation (or the CompuTherm database should not be used).
The Pb limit in the release notes of CompuTherm is 5%, however, it was observed that this limit is too high and
it does not work in most cases above 1%.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Influence of Alloying Elements
Al Alloy
An AlSi9Cu3Fe will be considered to illustrate the effect of an alloying element on the fraction of solid curve (as
well as on the liquidus and solidus lines). The usual average chemical composition of such an alloy is as
follows:
When the Scheil model is used with the above composition, 10 phases are found (in addition to the liquid
phase):
Starting from AlSi9Cu3Mg0.3, the other alloying elements are added progressively. The effect on the solid
fraction curve is shown in the following figures (please note that the Temperature scale is changing from one
graph to the next one):
The following figure shows the solid fraction curves for all the alloys together.
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In order to see the effect near the liquidus, the same figure is shown, with a different vertical scale. Only the
first 5% are shown.
One can see in the latter figure the effect of Ti. Ti is added in order to create this Al3Ti phase which is stable at
very high temperatures, and acts as an inoculant. The amount of this phase is very small (around 0.5%).
The above example shows that one should be careful with the use of Thermodynamic databases. In this case,
for instance, it would be advisable to ignore the Ti for the thermodynamic computation, in order to avoid this
"artificially" high liquidus temperature.
This also explains why there are differences observed between literature values (measurements) and
computed values for liquidus and solidus temperature. This is due to the fact that such values are measured
usually by Thermo analysis and that small amounts of solid (like the few percent due to Fe, Cr and Ti near the
liquidus temperature) cannot be detected. One should note that the usual literature value of the liquidus for this
alloy is 588°C, which corresponds to a computed value of about 5% of fraction of solid. The measurement of
the solidus temperature is even more difficult and thus, it is normal to observe differences.
Ni Alloys
Usually, alloy composition is given with a range around the nominal value. The following example illustrates the
effect of small composition changes within this range on the value of the liquidus temperature.
The following table shows the composition of three typical Ni alloys, with the Low, Nom and High compositions.
All these compositions were computed using the CompuTherm thermodynamic database of ProCAST. One
can see that taking the extreme compositions at the limit of the range can lead to differences in the liquidus
temperature of +/- 30-40°C.
This has to be taken into account when comparing experimental values with computed ones, as well as during
the real process, as composition fluctuations can significantly affect the solidification conditions and thus the
defects which may appear.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Stress Database
Stress Database
To access the Stress database, one should click on (+/-) tab and activate Stress from Category menu of
Material Database.
When a new stress database entry is created, the following window appears.
The first thing to do is to select the desired model among the four following options:
Linear-Elastic
Elasto-Plastic
Elasto-ViscoPlastic
Visco-Elastic
Vacant, Rigid are the two properties that are available inside Volume manager itself.
"Vacant" is used to specify that the domain will not participate in the stress calculation. Thus, no stress and no
strain will be calculated and the domain will not participate in the contact algorithm (i.e., the domain will not
create any resistance to the neighboring domains). No properties should be defined for a Vacant domain.
No stress calculation will be done in a "Rigid" domain; however, the domain will participate in the contact
algorithm (i.e., the neighboring domains will not be allowed to penetrate the Rigid ones). No properties should
be defined for a Rigid domain.
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For stress calculations, the thermal material properties must include the phase change (i.e.,
fraction of solid curve). Otherwise, no stresses will be calculated in this material. (As the fraction of solid
will not be defined, it will be considered as "zero" and no stress will be calculated).
For more advanced calculations, it is possible to define mechanical properties which are not only temperature
dependent, but also a function of the microstructure and/or the defects (such as porosity). For more details,
please refer to the Stress Properties Depending Upon Microstructure chapter.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Stress Models and Properties
Young's modulus:
Poisson's Ratio:
Thermal Expansion:
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However, in the equation (see above), it is the "Secant" thermal expansion coefficient which is used.
Thus, one can define "Secant" thermal expansion coefficient directly.
The figure below shows how to transform a measured "Strain curve" (shown in blue) in a Secant thermal
expansion coefficient. To do so, one needs to define a Reference Temperature (Tref), shown in the above
figure as To, which corresponds to a zero strain. The "Secant" thermal expansion coefficient at temperature T2
corresponds to the slope S2 of the line between a zero strain (To) and the strain at the temperature T2.
In the case of a constant Thermal Expansion coefficient, the strain curve is a straight line and the coefficient
corresponds to the slope of this line. One does NOT need to define a reference temperature in the case of a
Constant coefficient.
Elasto-Plastic Model
For the Elasto-Plastic model, the properties described above for the Elastic model (i.e., the Young's modulus,
the Poisson's ratio and the Thermal Expansion coefficients) should also be defined.
In addition, one should define the Yield stress and the Hardening coefficient.
The Yield stress corresponds to the stress at which plastic deformation starts. It can be temperature
dependent.
The hardening coefficient corresponds to the slope of the stress-strain curve in the plastic range. Four
different models of hardening are available in ProCAST:
Linear hardening is defined as follows:
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The Hardening can also be defined freely in an ASCII file where one can enter any "digitized" curve. More
information about this possibility can be found in the Digitized Hardening section.
In order to take into account for the "Kinematic" non-isotropic hardening behavior (Bauschinger effect), the
Amstrong-Frederick model is available:
x is called the back stress. It corresponds to the "movement" of the center of the Yield surface.
Isotropic and Kinematic models can be used either individually or together.
Elasto-ViscoPlastic Model
For the Elasto-ViscoPlastic model, the properties described above for both the Elastic model (i.e. the Young's
modulus, the Poisson's ratio and the Thermal Expansion coefficients) and the Elasto-Plastic model (i.e. the
Young's modulus and the Hardening coefficient) should also be defined.
In order to account for the visco-plasticity, three models are available:
a) Perzyna
b) Norton
c) Strain Hardening Creep
a) Perzyna model
This model allows to describe the secondary (steady-state) creep with threshold.
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b) Norton model
This model allows to describe the secondary (steady-state) creep with no threshold.
or
Moreover, the value of the normalization stress ( * ) is defined by the user (usually a value of 1 is
recommended, in the same unit system as the measured stresses). One should note that the value of and n
will depend upon the selected value for *.
Further details on the Perzyna law can be found in: "Numerical Modeling in Materials Science and
Engineering", M. Bellet, M. Rappaz and M. Deville, Spinger, 2003, pp. 306-310.
The principles of the determination of plastic and visco-plastic properties from experimental measurements are
described in the Viscoplastic Properties Determination section. Some advice about the viscoplastic
properties is written in the Viscoplastic Properties Recommendations section.
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Finally, one should however notice that in most cases, the use of an elastic-plastic model gives very realistic
results, without the burden of finding appropriate data for the visco-plastic behavior.
Annealing
During a stress calculation, at high temperature, the plastic deformation is not contributing to the hardening.
The stress solver was modified in order to ignore the contribution of the plastic deformation to the hardening,
above a critical temperature (called "Annealing temperature"). As a result, only the plastic deformation which
has occurred below the "Annealing temperature" will contribute to the hardening.
The Annealing temperature is defined in the Stress properties panel, as shown below. The Annealing model
will be activated if a value is specified in this tab.
During a heat treatment, when a part is heated up from a low temperature to a temperature above the critical
Annealing Temperature, the "pre-existing" plastic deformation contribution to the hardening will be
"erased" (which means that when the part is further cooled below the Annealing temperature, the hardening
takes into account only the plastic deformation contribution which starts to be accumulated as soon as the
temperature is below the Annealing temperature).
Please note that the "Plastic strain" (which can be viewed in the post-processing) will be the result of the
accumulation of all the plastic deformation, below and above the Annealing temperature (without reset).
The Annealing model can be used with either the Elasto-Plastic or the Elasto-ViscoPlastic models.
Please note that the definition of these parameters in the mushy zone will influence the hot tearing
indicator prediction.
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The value of the Young's modulus in the mushy zone (below a fraction of solid of 20%) should be set as a
constant value corresponding to the value of fs = 20%. Usually, this corresponds to values between 50 and 500
MPa.
Please note that the Young's modulus can be automatically calculated in Visual-Cast as function
of the chemical composition, using the thermodynamic databases.
The value of the Yield stress in the mushy zone (below a fraction of solid of 50%) should be set as a
constant value corresponding to 5-10 MPa. One should not set values below 5 MPa.
If no data are available, the Hardening (in case of linear hardening) can be set to about 1/20 of the Young's
modulus. In all cases, the Hardening should be set to 0 MPa for fraction of solid smaller than 50%.
If a tensile test is made on a sample which will be fully mushy at a given time, a non-zero value of
the Hardening should be set for fraction of solid below 50%. However, this case is never occurring in
usual casting processes.
Concerning the Poisson's ratio, if a value of 0.5 is set, it is automatically changed in the software to 0.48.
Together with these data, the corresponding Simulation Parameters are recommended (see the Stress
Simulation Parameters section for more details):
CRITFS = 0.5
CONVS = 0.01 (for more accuracy, it is advised to use a smaller value like 0.001)
PENALTY = 0.01
AVEPEN = 0.1 mm (for large casting, this value can be increased)
SCALC = 5
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Digitized Hardening
Digitized Hardening
Instead of defining the Hardening either as Linear or with a Power law, it is possible to enter in an ASCII file
digitized hardening curves (i.e. the plastic part of tensile test curves at different temperatures).
To activate this mode, one should select the "Table" tab in the "Hardening" tab:
Then, the number of tables specified in the ASCII file should be set (i.e. the number of different temperatures at
which a curve is digitized - two in the example below).
The corresponding ASCII file should be called: *ssN.dat (e.g.: prefixssN.dat), where N is the domain number,
and it should have the following structure:
STRESS_UNIT 4
CURVE 1
POINTS 4
TEMPERATURE 1 293.
0. 8.1159e+01
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0.02 1.7684e+02
0.03 2.2671e+02
0.04 2.8462e+02
CURVE 2
POINTS 3
TEMPERATURE 1 823.
0. 9.838
0.01 3.89105e+01
0.05 4.73871e+01
The stress units are defined first (the unit code corresponds to the one of the ProCAST d.dat file - e.g. 4
corresponds to MPa).
Then, the number of the curve should be specified, followed by the number of points in the curve.
The temperature at which the curve is defined (with the unit code before it - e.g. 1 corresponds to degrees
Kelvin, 2 to Centigrade and 3 to Fahrenheit), followed by the curve itself (strain - stress).
Please note that only the plastic part of the curve (i.e. the hardening) is defined by the tables. This means that
each curve should start by a zero strain (this is mandatory) and that the corresponding stress value is the Yield
stress at this temperature. Thus, the Yield stress defined in the “Stress" tab in Visual-Cast will not be used in
the case of Tables (the values will be ignored).
Each curve can have a different number of points. Above the last point, the Stress is extrapolated as a
constant (i.e. perfect plasticity).
Each domain (of the mesh) for which we would like to use the digitized hardening should have its
corresponding prefixssN.dat file. This means that if it should be used in domains 2, 5 and 8, one should
duplicate the same file three times with the names prefixss2.dat, prefixss5.dat and prefixss8.dat.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Plastic and Viscoplastic Properties
Determination
where:
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Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Viscoplastic Properties
Recommendations
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The second term of the right hand side can be called the "Viscoplastic stress" ( ).
Thus, we have:
with
If we perform a "numerical isothermal tensile test" at various strain rates, one gets the following curves. The
first graph is with a zero hardening, whereas the second graph is with hardening.
One can see how the "Viscoplastic stress" is increasing with the strain rate.
As the "Viscoplastic stress" is a function of the inverse power of the "Power" term "p", it is very sensitive to this
parameter. Thus, the combination of the "Power" term and the "Viscous parameter" term should lead to
consistent values of the "Viscoplastic stress", and that at each temperature.
The following figures show the temperature dependence of the Viscous parameter and the Power for an
A356 Aluminum alloy. Please note that the Viscous parameter is displayed in a logarithmic scale.
Based on the Viscous parameter and the Power of the above graphs, the "Viscoplastic stress" has been
calculated for different strain rates, as shown hereafter.
One can see in the above graph that the "Viscoplastic stress" is higher at intermediate temperature. However,
this "Viscoplastic stress" is normalized by the Yield Stress (see next figure)
It becomes clear that the viscoplasticity is negligible at low temperature and is significant at high temperature,
as shown below.
When viscoplastic properties are determined for a new material, it is strongly advised to compute and plot (in
Excel for instance) the "Viscoplastic stress", as well as the "Normalized Viscoplastic stress", at the different
temperatures and for different strain rates. This will allow to ensure that the curves are consistent (e.g. the
curves should normally not cross each other) and that the order of magnitudes are right. The following section
shows how the "Viscoplastic stress" can change a lot with a "small change" of the viscous parameter and/or
the Power.
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In order to prevent such odd behavior, one should make sure that the Viscous Parameter and the Power are
tabulated with enough points (for instance with a 20°C interval).
Norton model
The Norton law, usually used to describe secondary creep (also called stationary creep), is:
Where σ is the Von-Mises equivalent stress and the viscoplastic strain rate. A common simplification is to
consider that the effect of temperature is captured by only one parameter in pre-factor of the stress. So there
are two possible assumptions:
1. Assuming Q=0:
Then the equation reduces to and the identification of p and η is done similar to Perzyna law,
plotting ln( ) as function of ln(σ).
2. Assuming η constant:
This is a classic secondary creep description.
First, the power p is determined by plotting ln( ) as function of ln(σ) for each test temperature. The parameter p
is the slope of the linear interpolation.
Then, one can write:
So, if one plots as a function of 1/T, one can determine Q and η with a linear regression.
Of course, none of these two simplifications is physically exact. Creep mechanisms are complex and originate
in some thermally activated microstructural evolutions. However, for the scope of a parametric description of
viscoplastic effects (secondary creep) in a numerical simulation, the simplification is justified.
Here we have a large number of parameters to identify: η, Q, p and q, all temperature dependent. Without
forgetting that σycan also be given as a hardening law (in "plastic" menu), which would mean two additional
parameters.
So, here again, some simplifications are suggested:
Assume Q=0
At high temperature, assume that the threshold stress σy is a constant of a few MPa.
σ* = 1 MPa for normalization. All stresses hereafter have to be in MPa.
Then we have:
This equation can be used for example to describe primary creep followed by secondary creep. During a creep
test (constant temperature T and stress σ), the integration between t=0 and time t gives the strain as function
of time:
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Knowing that η and p can be identified in the "secondary creep" part of the test (stationary regime), one can
now identify q by fitting the experimental creep curve (strain vs. time) with a power law.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Visco-elasticity
Visco-elasticity
Waxes used in investment casting are polymers which exhibit viscoelastic behavior.
As the calculation of deformations of waxes may be important for such processes, viscoelastic models were
introduced in Visual-Cast.
This section describes briefly the models which are implemented in the software, followed by a short
description of the different inputs, in relationship with the above mentioned models.
The constitutive model for viscoelasticity that is implemented in ProCAST is isotropic and assumes that the
time dependence is limited to the shear response. Thus, we can write the Cauchy stress σ as,
where s is the deviatoric stress, p is the pressure, and I is the identity matrix. The strain ε is given by,
where K is the bulk elastic modulus defined in terms of the instantaneous Young's modulus E and the
instantaneous Poisson's ratio v as
where G is the shear relaxation function which is defined in terms of a Prony series.
where G∞ represents the long term shear modulus, Gi are relaxation shear moduli, and the λi are shear
relaxation times. Gi and λi are user inputs. G∞ is derived from the instantaneous shear modulus, G0, and the
relaxation shear moduli. G0 is itself derived from the instantaneous Young's modulus.
The reduced time t' is related to real time through the following equation,
where T is the temperature and S(T) is the shift function. Note that when S(T)=1, which is the temperature
independent case, we have t'=t.
The Williams-Landell-Ferry (WLF) equation is used as the shift function.
where C1 and C2 are material constants, T0 is the reference temperature. A special case of T0 is the glassy
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transition temperature.
In summary, the required user input data for the viscoelastic model are instantaneous Young's modulus, the
instantaneous Poisson's ratio, the thermal expansion coefficient. These all appear in the usual place in the
stress data input screen. Then under the Shear Modulus tab, there is a Constant tab and a Relaxation tab. The
WLF constants C1, C2, and T0 are entered under the first tab. In the second tab, there is a table where the
relaxation shear moduli Gi and their corresponding shear relaxation times λi are entered.
For the Stress material properties definition, select the Visco-elastic properties.
For the Elastic properties (Young's Modulus, Poisson's Ratio and Thermal Expansion), the instantaneous
properties should be defined as a standard elastic material.
The specific data for the visco-elastic properties should be defined in the "Shear Modulus" tab.
First, the Williams-Landell-Ferry (WLF) constants (see equation above) are defined in the first "Constant" tab.
Second, the relaxation shear moduli table should be defined in the second tab (see equation above).
Otherwise, all the other conditions (e.g. displacement BC and Simulation Parameters) should be defined in a
standard way.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Fatigue Model
Fatigue Model
Hard-coded Model - (Old Model)
A fatigue indicator is automatically computed in Visual-Cast, when cycles and stress are ON. The parameters
of the model correspond to measured values for a typical die alloy (H13 steel), published by the Society of
Automotive Engineers. No values are needed for this model and one should note that the values are measured
at room temperature and thus, the effect of temperature is only taken into account through the temperature-
dependent stress properties (i.e. Young's modulus, Yield stress, Hardening, ...). One should not compare the
influence of different steels with this hard-coded fatigue model.
and Basquin Law for high cycle fatigue is written in the form of
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Where are constants and C1(T) and are temperature functions and defined at
certain temperature points.
These data can be read into Visual-Cast from an ASCII file named prefixftg.dat, which has the following
structure:
The following values correspond to the input of the new model to reproduce results of the old model:
File Prefixftg.dat:
TEMPERATURE_UNIT 2
STRESS_UNIT 4
COFFIN_MANSON_LAW
EXPONENT 1.721170396
NUMBER_OF_POINTS 1
100. 0.580404385
BASQUIN_LAW
EXPONENT 8.064516129
BASQUIN_CONSTANT 1
NUMBER_OF_POINTS 1
100. 884.
All the words appearing in the file need to be followed to the letter.
The file should always start with the line that defines the input temperature unit, and followed by the line that
defines the stress unit of the input data.
The next are two sets of data for Coffin-Manson Law and Basquin Law.
In the Coffin-Manson Law data set, it starts with the declaration line of COFFIN_MANSON_LAW, followed by a
line defining the exponent used in the equation. The next line identifies how many points are used to
define the temperature function C1(T), which is followed by these point values. First column of these values is
always for temperature and the second column is for C1(T). It is suggested that the data is given in the
ascending order of temperature, but it is not requested.
Basquin Law data is given in a similar fashion except that an additional line for the BASQUIN_CONSTANT is
included.
There is no requirement for the particular order of the two sets of data that define Coffin-Manson Law and
Basquin Law in the file. However, the order of the lines in each data set needs to be kept as shown except for
the temperature dependent function data points, otherwise ProCAST will stop with a message indicating error
in the fatigue data.
Where ∆εp/2 and ∆εe/2 are plastic strain amplitude and elastic strain amplitude, E is modulus of elasticity, c is
fatigue ductility exponent, εf is fatigue ductility coefficient, b is fatigue strength exponent, σf is fatigue strength
coefficient, and 2Nf is the fatigue life cycle.
The newly implemented Coffin-Manson model is in the form of
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where ∆εp* is plastic strain amplitude, α, β and C3 are consonants, and C1(T) and σUTS(T) are temperature
functions and defined at certain temperature points, and NR is the fatigue life cycle.
To determine the relationship of the constants used in the models, we first consider the Coffin-Manson model
of Eq.(1) and Eq.(3). Noting the definition of all the variables used in Eq.(1) and Eq.(2), we can write Eq.(1),
using the variable of Eq.(3), as
Or
Which gives
Or
Which gives
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Filter Database
Filter Database
Example of Filter Database
Filters are characterized by the following properties:
Void fraction
Surface area per Unit Volume
Pressure Drop
The void fraction (Fv) corresponds to the amount of "porosity" or void inside the filter. This value is
dimensionless [-]. The definition of this value is mandatory in all cases.
The Surface area per Unit Volume (Sa) corresponds to the amount of "interface" between the filter material and
the air (when the filter is empty) per unit volume ( see example below). This value is used for the calculation
of the thermal exchange between the filter and the liquid metal going through, as well as for the automatic
permeability calculation. The units are the reversed of a distance (e.g. [1/m]). The definition of this value is
mandatory in all cases.
The Permeability of the filter (i.e. its resistance to the flow) can be calculated in three different ways.
a) Automatic permeability calculation
From the Void Fraction (Fv) and the Surface Area per Unit Volume (Sa) definitions, the permeability can be
automatically computed (based upon Carman-Kozeny), according to the following relationship:
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This mode is activated if the "Pressure Drop" and "Permeability" tabs are not defined.
b) Pressure drop calculation
If the "Pressure Drop" tab is defined, then, the permeability is calculated, using the following values (coming
from simple experiments), and the following equation:
where v, P and x are measured values which can be made in a simple experiment (or provided by the Filter
supplier). Please note that the Flow rate, v, corresponds to the velocity used in the experiment and not the
velocity of your casting model.
If both the "Pressure Drop" and "Permeability" tabs are defined, the "Permeability" values are ignored (and
replaced by the ones obtained from the above equation).
c) Specified permeability
It is also possible to define a given permeability value in the "Permeability tab". In this case, the "Void fraction"
is not used for the automatic Carman-Kozeny relationship.
See the Filters section for more details about the settings of cases with Filters.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Exothermic Database
Exothermic Database
Example of Exothermic Database
Technical Details
Exothermic sleeve can be modeled in Visual-Cast, with the appropriate heat generation.
Firstly, the exothermic sleeve should be meshed as a separate material domain. Then, the corresponding
material properties should be assigned and the "EXOTHERMIC" type should be defined in Volume Manager
as follows. (If the EXOTHERMIC type is not defined, the exothermic energy, as defined hereafter, will not be
released):
The material properties of the Exothermic sleeve must be defined as follows:
The Thermal properties (thermal conductivity, density and specific heat) should be defined as usual for sleeve
material in Thermal tab. In addition, the exothermic properties should be defined in the "Exothermic" tab. The
Exothermic energy corresponds to the amount of energy which is generated during the burning of the sleeve.
The Ignition Temperature corresponds to the temperature at which the exothermic reaction is initiated.
The "burning kinetics" is defined in the table, as a fraction of burning, which is a function of time. Once the
exothermic reaction is started (i.e. when the temperature goes above the ignition temperature), the exothermic
energy will be released according to the burnt fraction.
Home > ProCAST 2018.0 User's Guide > Pre-Processing > Databases > Anisotropic Database
Anisotropic Database
Example of Anisotropic Database
For anisotropic materials, the permeability and conductivity values in 2nd and 3rd axis can be specified in the
'Anisotropic' category of material database.
Permeability value in the main axis should be specified in 'Fluid' category whereas Conductivity in main axis
should be specified in 'Thermal' category.
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Microstructure Database
This database can be posted by clicking new tab ( + ) button.
Microstructures during cooling or during heat treatment can now be simulated based upon Time-Temperature-
Transformation (TTT) or Continuous Cooling-Transformation (CCT) diagrams. A new category is added in the
material editor.
This new TTT/CCT database containing 8 different steel alloys, coming from Sysweld, has been introduced.
Introduction
The formation of microstructures associated with solid state phase transformations during cooling or during
heat treatment can now be simulated with ProCAST using models based upon time-temperature-
transformation (TTT) or Continuous Cooling-transformation (CCT) diagrams. TTT/CCT diagrams can be found
in handbooks or scientific publications for a variety of alloys. They provide information about the starting and
ending times of a phase transformation for isothermal ( see illustration below) or continuous cooling
conditions.
The TTT/CCT module of ProCAST is based on the Kolmogorov-Johnson-Mehl-Avrami (KJMA) expression for
the overall kinetics of a phase transformation governed by a nucleation and growth process. The volume
fraction of the transformed phase (e.g. volume fraction of ferrite) is obtained with:
where fmax is a maximum for the fraction transformed (e.g. equilibrium amount of ferrite), n is an exponent and
is a characteristic transformation time. These parameters are determined from the information contained in
the TTT/CCT diagram. They depend on the local temperature and cooling rate.
A differential form of this expression is integrated over the cooling path in order to account for the local thermal
conditions. It permits to calculate microstructure maps based on the thermal history at every node of the finite
element mesh.
Pre-processing
Coded TTT/CCT diagrams are grouped in a database which contains an entry for each of them. In short, the
operations required to activate the TTT/CCT module simply consist of assigning in Visual-Cast an entry of the
TTT/CCT database to the casting domains and setting to 1 the TTTMIC Simulation Parameter. In more detail,
the operations are as follows:
1) A TTT/CCT diagram should be assigned to all casting domains. This can be done in the Material Database's
Microstructure tab.
In the microstructure tab, all the available TTT/CCT models are displayed as a drop-down list. You have to
select the required model and click "save" button. Then that model is assigned to that material.
2) On selection of TTT/CCT Data from the list, a new tab TTT/CCT is added, as shown below.
For CCT diagrams, the user can simply introduce cooling rate.
TTT diagram display is obtained by giving various temperatures for which transformation kinetics are computed
and plotted.
On selection of “Draw CCT diagram”, following diagram is drawn.
3) The TTT/CCT module should then be activated by setting to 1 the TTTMIC parameter in the Microstructure
tab of the Simulation parameter panel, as shown below. For faster calculations, the coupling level can be set
to -1, which will deactivate the feedback from the solid state transformation to the thermal calculation.
Temperature plateaus in the cooling curve associated with the formation of pearlite are however no longer
obtained in that case.
4) Initial phase: By default, the initial phase is LIQUID. For solid state phase transformations it may be needed
to specify a different initial phase. This can be done by creating a small text file in the calculation directory. This
file must be named:
[prefix]MLp.dat
It should contain just one line with the following content:
INITIAL_CONSTITUENT [Phase_name]
where phase_name is one the phases of the TTT diagram. A list of phase names is given in the data file
METALLURGYLINK.dat which is either located in the local directory or in the TTT diagram database [ProCAST
installation directory]\dat\db\TTT\[diagram number]
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Very often, the initial phase is austenite. So the [prefix]MLp.dat file will be:
INITIAL_CONSTITUENT AUSTENITE
If the file [prefix] MLp.dat is not present in the calculation directory, the initial phase will normally be liquid.
Database
Currently the TTT/CCT database contains eight steels which are coming from the Sysweld database.
A description of the chemical compositions, phases and CCT diagrams of these alloys can be found in the
SYSWELD Database located in the software installation. Each alloy is described, as shown below.
These alloys can also be found in the standard database (for the thermophysical properties).
Post-processing
The results of TTT/CCT microstructure calculations can be visualized in the VisualCAST post-processor, as
shown below.
The list of available constituents is automatically displayed in the menu, as shown below.
Results
As an illustration, the TTT/CCT microstructure module has been applied to the heat treatment of a carbon steel
gear component. The figure below illustrates the proportion of microstructure constituents (pearlite, bainite
and martensite) obtained after heat treatment for two types of cooling conditions: water quenching and air
cooling.
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