Mdinterp
多元能量的导出和打印
多元相的能量导出
配置文件示例
config.json
{
"omp_threads": 1,
"components": [
"NI",
"SI"
],
"type": "MultiComponentPhasePrint_Vector_Print",
"filename": "results/NiSiCu/property-1300.csv",
"path": "results/NiSiCu",
"clear": true,
"setting": [
{
"varname": "temperature",
"values": 1300
},
{
"varname": "NI",
"type": "range",
"low": 1.0e-5,
"up": 0.1,
"density": 50
},
{
"varname": "SI",
"type": "range",
"low": 1.0e-5,
"up": 0.1,
"density": 50
}
],
"phase": [
{
"energy": {
"type": "CuNiSiNoMagn_Vector_Fcc_A1"
},
"interdiffusivity": {
"type": "ConstantMatrixMultiComponentFunctor_Vector",
"values": [
1e-14
]
},
"element": ["NI", "SI"],
"name": "Fcc_A1",
"type": "MultiComponentPhase_Vector"
},
{
"energy": {
"type": "CuNiSiNoMagn_Vector_Liquid"
},
"interdiffusivity": {
"type": "ConstantMatrixMultiComponentFunctor_Vector",
"values": [
1e-09
]
},
"element": ["NI", "SI"],
"name": "Liquid",
"type": "MultiComponentPhase_Vector"
}
]
}
config.yaml
---
omp_threads: 1
components:
- NI
- SI
type: MultiComponentPhasePrint_Vector_Print
filename: results/NiSiCu/property-1300.csv
path: results/NiSiCu
clear: true
setting:
- varname: temperature
values: 1300
- varname: NI
type: range
low: 1.0e-05
up: 0.1
density: 50
- varname: SI
type: range
low: 1.0e-05
up: 0.1
density: 50
phase:
- energy:
type: CuNiSiNoMagn_Vector_Fcc_A1
interdiffusivity:
type: ConstantMatrixMultiComponentFunctor_Vector
values:
- 1.0e-14
element:
- NI
- SI
name: Fcc_A1
type: MultiComponentPhase_Vector
- energy:
type: CuNiSiNoMagn_Vector_Liquid
interdiffusivity:
type: ConstantMatrixMultiComponentFunctor_Vector
values:
- 1.0e-09
element:
- NI
- SI
name: Liquid
type: MultiComponentPhase_Vector