Materials¶
Solid material specification¶
The material of the substrate and powder is set in the Material section of the JSON file.
It should be a string.
The MaterialsLibrary section of the JSON file should contain the material specification for the string.
MaterialsLibrary is an entry with key-value pairs, where the key string should be in specified in the Material field and the value in an entry which has the format specified below.
Here is an example for the user specification of the user material.
Key |
Value type |
Default value |
|---|---|---|
|
string |
UserDefinedMaterial |
The name of the material. |
||
|
value |
8000.0 |
Liquid density (kg/m³). |
||
|
value |
7e-07 |
Liquid viscosity (m²/s). |
||
|
list of values |
[[300, 3e-06], [1000, 4e-06]] |
|
list of values |
[[2000, 5e-06], [3000, 6e-06]] |
Thermal diffusivity (m²/s) in Solid and Liquid depends on temperature (K), and this dependency is set with piecewise-linear function. The value of this setting is in the format |
||
|
string |
Phase |
Thermal conductivity type in transient region. \(T_{\text{solidus}}<T<T_{\text{liquidus}}\). Possible types are |
||
|
value |
2.0 |
array of value pairs — surface tension at different temperatures in the following format: |
||
|
value |
-1.0 |
Primary dendrite arm spacing (PDAS) (m) in the mushy zone. Negative value means that the physics in the mushy zone is the same as it is in liquid. |
||
|
value |
1536.0 |
|
value |
1632.0 |
\(T_{\text{solidus}}\) and \(T_{\text{liquidus}}\) (K). |
||
|
list of values |
[0, 300, 780, 880, 1536, 5000] |
|
list of values |
[4000000.0, 4150000.0, 4800000.0, 5200000.0, 5200000.0, 5200000.0] |
Volumetric heat capacity (J/(m³K)) depends on temperature. The dependency is set via temperature points \([T_1, T_2, ...]\) and values \([c_{vol,1}, c_{vol,2}, ...]\). See the expression below the table. |
||
|
value |
2160000000.0 |
Latent heat of melting (J/m³) |
||
|
list of values |
[[300, 0.3], [1000, 0.35]] |
|
list of values |
[[1632, 0.35], [3000, 0.25]] |
Ray absorption ratio for solid and for liquid phases. The ratios depend on temperature (K), and the dependency is presented as a piecewise linear function. The function is set by pairs: |
||
|
NA |
|
dictionary — Material components weight composition with names, eg {“name1”: 0.3, “name2”: “balanced”} |
||
|
value |
22 |
|
value |
47.867 |
Atomic number and atomic mass (amu) |
||
|
JSON data |
|
Evaporation model parameters section |
||
Heat Capacity¶
The expression for the volumetric heat capacity if HeatCapacityIntervalsT is \([T_1, T_2, ..., T_n]\) and HeatCapacityVolumeVals is \([c_{vol,1}, c_{vol,2}, ..., c_{vol,n}]\),
The expression for the heat capacity is \(c_{vol} = c_p\rho\)
Evaporation¶
The Evaporation section includes 3 sections:
General Parameters
Key |
Value type |
Default value |
|---|---|---|
|
value |
0 |
|
value |
0 |
\(T_{\text{boiling}}\) and \(T_{\text{critical}}\) (K) for the ClausiusClapeyron saturated pressure model |
||
|
value |
0 |
number — Latent heat of vaporization in J/kg used for ClausiusClapeyron saturated pressure model |
||
- One-component evaporation. It is used if NULL is set in components field in the “main Materials section”.
In this case the material is considered to have one component, and the effective evaporation rate should be set:
Key |
Value type |
Default value |
|---|---|---|
|
string |
Unknown |
The name of the evaporation preset |
||
|
string |
Antonie |
The choice of the evaporation model. The possible types are |
||
|
value |
58.6934 |
Atomic weight (amu) |
||
|
value |
1.6666666666666667 |
Specific heat ratio |
||
|
value |
11.672 |
|
value |
20765.0 |
|
value |
0.0 |
|
value |
0 |
|
value |
0 |
|
value |
0 |
Coefficients for the AntonieExtended model |
||
- Several component evaporation. It is used if something is set in the components field in the “main Materials section”, for example,
{“Al”: 0.05, “Ti”: “balanced”}.In this case the material is considered to be an alloy, and the evaporation rates for each component should be set in the components section. For examples of the section, refer to the alloy materials (such as Ti6Al4V) below.
Key |
Value type |
Contents |
|---|---|---|
|
||
|
JSON data |
Acitivity mixing coefficients |
The components section has mandratory fields:
Key |
Value type |
Sample value |
|---|---|---|
|
string |
‘name1’ |
The name of the component |
||
|
value |
58.6934 |
Atomic weight (amu) |
||
|
list |
[11.672, 20765.0, 0.0, 0, 0, 0] |
Coefficients for the Antonie and AntonieExtended evaporation expressions. |
||
The ActivityMixingCoeffs are the \(L1\), \(L2\), \(L3\) coefficients specified as linear dependencies on temperature:
Key |
Value type |
Sample value |
|---|---|---|
|
list of 2 values |
[-153707 , 34.8594] |
|
list of 2 values |
[-153707 , 34.8594] |
|
list of 2 values |
[-153707 , 34.8594] |
The two values, e.g. \([a,b]\) , are used as in \(L1=a+bT\). |
||
Grains¶
Key |
Value type |
Contents |
|---|---|---|
|
list of 3 values |
Grain growth coefficients \([K_1,K_2,K_3]\) |
|
JSON data |
Nucleation model parameters section |
The Nucleation section has two subsections: Bulk, and Surface.
Both sections contain Density and CriticalTdiff fields.
Key |
Value type |
Contents |
|---|---|---|
|
JSON data |
Bulk parameters section |
|
JSON data |
Surface model parameters section |
|
value |
Nucleation density (concentration) in 1/m³ (for example, 1e15) |
|
list of 2 values |
Critical temperature difference \((T_\text{liquidus}-T_\text{critical})\) Gaussian distribution parameters when the nuclei can grow (mean in K and standard deviation in K) (for example, [9.5, 0.5]) |
|
value |
Nucleation density (concentration) in \(1/m^2\) (for example, 2e8) |
|
list of 2 values |
Critical temperature difference \((T_\text{liquidus}-T_\text{critical})\) Gaussian distribution parameters when the nuclei can grow (mean in K and standard deviation in K) (for example, [2, 0.1] ) |
The grain growth velocity (m/s) is \(v = K_1 \Delta T + K_2\Delta T^2 + K_3\Delta T^3\) , where the coefficients \(K_1\) is in m/s/K, \(K_2\) is in m/s/K \({}^2\), \(K_3\) is in m/s/K³ and the temperature difference \(\Delta T = \max(T_{liquidus} - T, 0)\) is in K.
Add New Material¶
To use another material, add the MaterialsLibrary to your JSON file, and, in it, specify a gas in the same format. Then, specify the name of your material in the Material section of the JSON file.
All default values for every built-in material can be changed. If you want to adjust the properties of a built-in material, you can specify only the field you need to adjust in the JSON file. For example, to use the AA5182 material with custom density:
{
...
"Material": "AA5182",
...
"MaterialsLibrary": {
"AA5182": {
"density" : 2700.0,
}
}
Gas material specification¶
The properties of the gas in the gas chamber influence the evaporation process.
Here is the explanation of the material settings on the example of the built-in argon gas.
The entry is in the MaterialsLibrary section of the JSON file.
To use another gas, add the MaterialsLibrary to your JSON file, and, in it, specify a gas in the following format.
Key |
Value type |
Default value |
|---|---|---|
|
string |
Argon |
Name of the gas |
||
|
value |
39.95 |
Atomic weight, a.u. |
||
|
value |
1.6666666666666667 |
Specific heat ratio, dimensionless |
||
|
value |
2.2e-05 |
Gas viscosity, \(\text{Pa}\cdot\text{sec}\) |
||
|
value |
2.2e-05 |
Gas Reference Viscosity at 300K, \(\text{Pa}\cdot\text{sec}\) |
||
|
value |
114 |
Gas effective temperature (Sutherland Constant), K |
||
|
value |
0.02 |
Gas thermal conductivity, \(\text{kg}\cdot\text{m}/(\text{sec}^3\cdot K)\) |
||
|
value |
1.62 |
Gas Density (used in the Whitaker convection model, \(\text{kg}/\text{m}^3\) |
||
|
value |
0.7 |
Prandtl number, dimensionless |
||
To use the specified gas, its name should be in the Camera.AmbientGas field of the JSON file.
Built-in Materials¶
Some materials are already specified in the default.json file.
These materials are verified for the use in KiSSAM.
Some materials have additional parameters for microstructure modeling and multicomponent evaporation. The table below shows which models were verified. If the material properties for the multicomponent evaporation are missing, users can input custom properties.
Material |
Verified Microstructure Parameters |
Verified Multicomponent Evaporation |
|---|---|---|
yes |
||
yes |
||
yes |
||
Ar¶
{
"name": "Argon",
"atomWeight": 39.95,
"gamma": 1.6666666666666667,
"viscosity": 2.2e-05,
"referenceVisc": 2.2e-05,
"SutherlandConstant": 114,
"thermalCond": 0.02,
"density": 1.62,
"Prandtl": 0.7
}
UserMaterial¶
{
"name": "UserDefinedMaterial",
"density": 8000.0,
"viscosity": 7e-07,
"tdiffusivitySolid": [
[
300,
3e-06
],
[
1000,
4e-06
]
],
"tdiffusivityLiquid": [
[
2000,
5e-06
],
[
3000,
6e-06
]
],
"transientConduction": "Phase",
"surfTension": 2.0,
"mushyPDAS": -1.0,
"Tsolidus": 1536.0,
"Tliquidus": 1632.0,
"HeatCapacityIntervalsT": [
0,
300,
780,
880,
1536,
5000
],
"HeatCapacityVolumeVals": [
4000000.0,
4150000.0,
4800000.0,
5200000.0,
5200000.0,
5200000.0
],
"LatentHeat": 2160000000.0,
"RayAbsorptionSolid": [
[
300,
0.3
],
[
1000,
0.35
]
],
"RayAbsorptionLiquid": [
[
1632,
0.35
],
[
3000,
0.25
]
],
"components": null,
"atomicNumber": 22,
"atomicMass": 47.867,
"Evaporation": {
"name": "Unknown",
"SatPressureName": "Antonie",
"atomWeight": 58.6934,
"gamma": 1.6666666666666667,
"coeffA": 11.672,
"coeffB": 20765.0,
"coeffC": 0.0,
"coeffD": 0,
"coeffE": 0,
"coeffF": 0,
"Tboiling": 0,
"Tcritical": 0,
"LatentHeatVaporization": 0
}
}
AA5182¶
{
"name": "Aluminum Alloy 5182",
"density": 2300.0,
"viscosity": 5e-06,
"tdiffusivitySolid": [
[
300,
4.99e-05
],
[
800,
4.99e-05
]
],
"tdiffusivityLiquid": [
[
900,
3.5e-05
],
[
1200,
4e-05
]
],
"transientConduction": "Phase",
"surfTension": [
[
850,
0.8
],
[
1850,
0.45
]
],
"mushyPDAS": -1,
"Tsolidus": 850.0,
"Tliquidus": 911.0,
"HeatCapacityIntervalsT": [
0,
850.0
],
"HeatCapacityVolumeVals": [
2415000.0,
2760000.0
],
"LatentHeat": 908500000.0,
"RayAbsorptionSolid": [
[
300,
0.05
],
[
800,
0.08
]
],
"RayAbsorptionLiquid": [
[
900,
0.088
],
[
3000,
0.18
]
],
"components": null,
"atomicNumber": 13,
"atomicMass": 27,
"Evaporation": {
"name": "Al",
"SatPressureName": "Antonie",
"atomWeight": 27,
"gamma": 1.6666666666666667,
"coeffA": 10.917,
"coeffB": 16211,
"coeffC": 0,
"coeffD": 0,
"coeffE": 0,
"coeffF": 0,
"Tboiling": 2329,
"Tcritical": 6300,
"LatentHeatVaporization": 10500000.0
}
}
CoCr¶
{
"name": "ASTM F75CoCr",
"density": 7800.0,
"viscosity": 6e-07,
"tdiffusivitySolid": [
[
300,
3.6e-06
],
[
1577,
7.43e-06
]
],
"tdiffusivityLiquid": [
[
1689,
5.7e-06
],
[
3000,
1.042e-05
]
],
"transientConduction": "Phase",
"surfTension": [
[
1577,
1.881
],
[
2577,
1.431
]
],
"mushyPDAS": -1.0,
"Tsolidus": 1577.0,
"Tliquidus": 1689.0,
"HeatCapacityIntervalsT": [
0,
300,
700,
1200,
1577,
1689,
2500,
3000
],
"HeatCapacityVolumeVals": [
4200000.0,
4200000.0,
5000000.0,
6000000.0,
6400000.0,
6200000.0,
5400000.0,
5000000.0
],
"LatentHeat": 2150000000.0,
"RayAbsorptionSolid": [
[
300,
0.3
],
[
1689,
0.3
]
],
"RayAbsorptionLiquid": [
[
1689,
0.3
],
[
3000,
0.3
]
],
"components": null,
"atomicNumber": 22,
"atomicMass": 47.867,
"Evaporation": {
"name": "Cobalt",
"SatPressureName": "Antonie",
"atomWeight": 58.6934,
"gamma": 1.6666666666666667,
"coeffA": 11.494,
"coeffB": 20578.0,
"coeffC": 0.0,
"coeffD": 0,
"coeffE": 0,
"coeffF": 0,
"Tboiling": 0,
"Tcritical": 0,
"LatentHeatVaporization": 0
}
}
In625¶
{
"name": "Inconel625",
"density": 8000.0,
"viscosity": 7e-07,
"tdiffusivitySolid": [
[
300,
2.914e-06
],
[
1563,
5.44e-06
]
],
"tdiffusivityLiquid": [
[
1623,
5.68e-06
],
[
3000,
8.434e-06
]
],
"transientConduction": "Phase",
"surfTension": [
[
1563,
1.9
],
[
2563,
1.55
]
],
"mushyPDAS": -1.0,
"Tsolidus": 1563.0,
"Tliquidus": 1623.0,
"HeatCapacityIntervalsT": [
0,
900,
1563
],
"HeatCapacityVolumeVals": [
4000000.0,
5500000.0,
6000000.0
],
"LatentHeat": 2656000000.0,
"RayAbsorptionSolid": [
[
300,
0.3
],
[
1623,
0.3
]
],
"RayAbsorptionLiquid": [
[
1623,
0.3
],
[
3000,
0.3
]
],
"components": null,
"atomicNumber": 28,
"atomicMass": 58.7,
"Grains": {
"GrowthCoeffs": [
1.77e-05,
1.58e-05,
2.29e-06
],
"Nucleation": {
"Bulk": {
"Density": 1000000000000000.0,
"CriticalTdiff": [
9.5,
0.5
]
},
"Surface": {
"Density": 250000000.0,
"CriticalTdiff": [
2,
0.1
]
}
}
},
"Evaporation": {
"name": "Nickel",
"SatPressureName": "Antonie",
"atomWeight": 58.67,
"gamma": 1.6666666666666667,
"coeffA": 11.672,
"coeffB": 20765.0,
"coeffC": 0.0,
"coeffD": 0,
"coeffE": 0,
"coeffF": 0,
"Tboiling": 0,
"Tcritical": 0,
"LatentHeatVaporization": 0
}
}
Ti6Al4V¶
{
"name": "Ti6Al4V",
"density": 3920.0,
"viscosity": 2.6e-06,
"tdiffusivitySolid": [
[
298,
2.788e-06
],
[
1873,
9.024e-06
]
],
"tdiffusivityLiquid": [
[
1923,
1.04e-05
],
[
2173,
1.116e-05
]
],
"transientConduction": "Phase",
"surfTension": [
[
1877,
1.5
],
[
2877,
1.05
]
],
"mushyPDAS": -1.0,
"Tsolidus": 1877.0,
"Tliquidus": 1923.0,
"HeatCapacityIntervalsT": [
0,
1173,
1373,
1923,
2173
],
"HeatCapacityVolumeVals": [
2840000.0,
4040000.0,
3030000.0,
3160000.0,
3160000.0
],
"LatentHeat": 1143000000.0,
"RayAbsorptionSolid": [
[
300,
0.3
],
[
1000,
0.3
]
],
"RayAbsorptionLiquid": [
[
1923,
0.3
],
[
3000,
0.3
]
],
"components": {
"Al": 0.05,
"Ti": "balanced"
},
"atomicNumber": 22,
"atomicMass": 47.867,
"Evaporation": {
"name": "Unknown",
"SatPressureName": "Antonie",
"atomWeight": 47.867,
"gamma": 1.6666666666666667,
"coeffA": 11.364,
"coeffB": 22747.0,
"coeffC": 0.0,
"coeffD": 0,
"coeffE": 0,
"coeffF": 0,
"Tboiling": 0,
"Tcritical": 0,
"LatentHeatVaporization": 0,
"components": [
{
"name": "Ti",
"SatPressureName": "Antonie",
"atomWeight": 47.867,
"coeffsABCDEF": [
11.364,
22747.0,
0.0,
0,
0,
0
]
},
{
"name": "Al",
"SatPressureName": "Antonie",
"atomWeight": 26.981539,
"coeffsABCDEF": [
10.917,
16211.0,
0.0,
0,
0,
0
]
}
],
"ActivityMixingCoeffs": {
"L0": [
-108250,
38
],
"L1": [
-6000,
5
],
"L2": [
15000,
0
]
}
}
}
SS316L¶
{
"name": "SS316L",
"density": 6881.0,
"viscosity": 5.2e-07,
"tdiffusivitySolid": [
[
300,
3.6e-06
],
[
1573,
6e-06
]
],
"tdiffusivityLiquid": [
[
1723,
5e-06
],
[
1873,
5.4e-06
]
],
"transientConduction": "Phase",
"surfTension": [
[
1750,
1.97
],
[
3000,
1.45
]
],
"mushyPDAS": -1.0,
"Tsolidus": 1675.0,
"Tliquidus": 1708.0,
"HeatCapacityIntervalsT": [
0,
300,
1000,
1658,
1708,
2000
],
"HeatCapacityVolumeVals": [
3740000.0,
4200000.0,
5200000.0,
5600000.0,
5600000.0,
5600000.0
],
"LatentHeat": 1930000000.0,
"RayAbsorptionSolid": [
[
300,
0.3
],
[
1675,
0.3
]
],
"RayAbsorptionLiquid": [
[
1708,
0.35
],
[
3000,
0.35
]
],
"components": null,
"atomicNumber": 26,
"atomicMass": 55.845,
"Evaporation": {
"name": "Unknown",
"SatPressureName": "Antonie",
"atomWeight": 55.845,
"gamma": 1.6666666666666667,
"coeffA": 11.353,
"coeffB": 19574.0,
"coeffC": 0.0,
"coeffD": 0,
"coeffE": 0,
"coeffF": 0,
"Tboiling": 0,
"Tcritical": 0,
"LatentHeatVaporization": 0,
"components": [
{
"name": "Fe",
"SatPressureName": "Antonie",
"atomWeight": 55.845,
"coeffsABCDEF": [
11.353,
19574.0,
0.0,
0,
0,
0
]
},
{
"name": "S",
"SatPressureName": "Antonie",
"atomWeight": 32.065,
"coeffsABCDEF": [
10.0,
3500.0,
0.0,
0,
0,
0
]
}
]
}
}
NiTi¶
{
"name": "NiTi",
"density": 6050.0,
"viscosity": 1.2e-06,
"tdiffusivitySolid": [
[
300,
3.37e-06
],
[
1513,
8.2e-06
]
],
"tdiffusivityLiquid": [
[
1583,
8.5e-06
],
[
3000,
1.42e-05
]
],
"transientConduction": "Phase",
"surfTension": [
[
1513,
1.51
],
[
3300,
1.03
]
],
"mushyPDAS": -1.0,
"Tsolidus": 1513.0,
"Tliquidus": 1583.0,
"HeatCapacityIntervalsT": [
0,
300,
1513,
1583,
3000
],
"HeatCapacityVolumeVals": [
3180000.0,
3180000.0,
3390000.0,
3410000.0,
6000000.0
],
"LatentHeat": 2239000000.0,
"RayAbsorptionSolid": [
[
300,
0.2
],
[
1600,
0.26
]
],
"RayAbsorptionLiquid": [
[
1600,
0.26
],
[
3000,
0.26
]
],
"components": {
"Ni": 0.55,
"Ti": "balanced"
},
"atomicNumber": 28,
"atomicMass": 58.69,
"Evaporation": {
"name": "single-component",
"SatPressureName": "Antonie",
"atomWeight": 58.69,
"gamma": 1.6666666666666667,
"coeffA": 11.672,
"coeffB": 20765.0,
"coeffC": 0.0,
"coeffD": 0,
"coeffE": 0,
"coeffF": 0,
"Tboiling": 0,
"Tcritical": 0,
"LatentHeatVaporization": 0,
"components": [
{
"name": "Ni",
"SatPressureName": "Antonie",
"atomWeight": 58.69,
"coeffsABCDEF": [
11.672,
20765.0,
0.0,
0,
0,
0
]
},
{
"name": "Ti",
"SatPressureName": "Antonie",
"atomWeight": 47.867,
"coeffsABCDEF": [
11.364,
22747.0,
0.0,
0,
0,
0
]
}
],
"ActivityMixingCoeffs": {
"L0": [
-153707,
34.8594
],
"L1": [
-81824.8,
25.8099
],
"L2": [
0,
-10.0779
]
}
}
}
AlSi10Mg¶
{
"name": "AlSi10Mg",
"density": 2500.0,
"viscosity": 1e-06,
"tdiffusivitySolid": [
[
300,
6.5e-05
],
[
800,
5e-05
]
],
"tdiffusivityLiquid": [
[
900,
2.46e-05
],
[
1273,
2.7e-05
]
],
"transientConduction": "Phase",
"surfTension": [
[
867,
0.869
],
[
2000,
0.697
]
],
"mushyPDAS": -1.0,
"Tsolidus": 831.0,
"Tliquidus": 867.0,
"HeatCapacityIntervalsT": [
0,
600,
800,
867
],
"HeatCapacityVolumeVals": [
2300000.0,
2500000.0,
2750000.0,
2600000.0
],
"LatentHeat": 1060000000.0,
"RayAbsorptionSolid": [
[
300,
0.1
],
[
800,
0.1
]
],
"RayAbsorptionLiquid": [
[
900,
0.11
],
[
3000,
0.16
]
],
"atomicNumber": 13,
"atomicMass": 27.0,
"components": null,
"Evaporation": {
"name": "Unknown",
"SatPressureName": "Antonie",
"atomWeight": 27.0,
"gamma": 1.6666666666666667,
"coeffA": 10.917,
"coeffB": 16211.0,
"coeffC": 0.0,
"coeffD": 0,
"coeffE": 0,
"coeffF": 0,
"Tboiling": 0,
"Tcritical": 0,
"LatentHeatVaporization": 0,
"components": null
}
}
Mo¶
{
"name": "Molybdenum",
"density": 9332.0,
"viscosity": 6e-07,
"tdiffusivitySolid": [
[
300,
4.9e-05
],
[
2895,
1.81477e-05
]
],
"tdiffusivityLiquid": [
[
2896,
1.87836e-05
],
[
5000,
3.0276e-05
]
],
"transientConduction": "Phase",
"surfTension": [
[
2896,
2.29
],
[
5000,
2.2353
]
],
"mushyPDAS": -1.0,
"Tsolidus": 2895.0,
"Tliquidus": 2896.0,
"HeatCapacityIntervalsT": [
0,
1000,
2000,
2500,
2750,
2896,
4000,
6000
],
"HeatCapacityVolumeVals": [
2750000.0,
3400000.0,
4100000.0,
4600000.0,
4850000.0,
3750000.0,
3500000.0,
3500000.0
],
"LatentHeat": 3630000000.0,
"RayAbsorptionSolid": [
[
300,
0.3
],
[
2895,
0.3
]
],
"RayAbsorptionLiquid": [
[
2896,
0.3
],
[
5000,
0.3
]
],
"components": null,
"atomicNumber": 42,
"atomicMass": 95.95,
"Evaporation": {
"name": "Mo",
"SatPressureName": "Antonie",
"atomWeight": 95.95,
"gamma": 1.6666666666666667,
"coeffA": 8.64938,
"coeffB": 26943.1312,
"coeffC": 31.68,
"coeffD": 0,
"coeffE": 0,
"coeffF": 0,
"Tboiling": 0,
"Tcritical": 0,
"LatentHeatVaporization": 0
}
}
ZrN¶
{
"density": 7000.0,
"Tmelting": 3253.0,
"HeatCapacityVolumetric": 3714000.0
}