Casestudy

凝固模块

凝固模块

凝固模块用于模拟铜合金在冷却过程中的凝固行为，能够详细预测微观结构的演化。通过这一模块，用户可以模拟枝晶的形成与长大过程，分析冷却速度对枝晶形态和尺寸以及多个枝晶相互的影响。这对于理解铸造工艺、预测合金性能和优化生产流程具有重要意义。凝固过程中，合金的成分分布和偏析现象会显著影响材料的最终性能。通过调节初始温度、冷却速率和形核率等参数，用户可以模拟不同的工艺条件，探索最佳的铸造工艺方案。凝固模块为科学研究和工业应用提供了一个强大的工具。

结果示例

PFCSU Software InterfacePFCSU Software Interface

基本参数说明

parameter
NameNoteRequiredType
T温度，单位开尔文✅
P界面渗透率，对应固液界面不同元素的界面渗透率✅数组
Vm摩尔体积✅
mu界面迁移率✅
sigma界面能✅
eta界面厚度✅
phase
NameNoteRequiredType
liquid液相能量及扩散动力学参数设置✅MultiComponentCustomPhase
solid固相能量及扩散动力学参数设置✅MultiComponentCustomPhase
boundary_condition
NameNoteRequiredType
BC0X边界条件0X✅ZEROFLUX / PERIODIC
BCNX边界条件NX✅ZEROFLUX / PERIODIC
BC0Y边界条件0Y✅ZEROFLUX / PERIODIC
BCNY边界条件NY✅ZEROFLUX / PERIODIC
BC0Z边界条件0Z✅ZEROFLUX / PERIODIC
BCNZ边界条件NZ✅ZEROFLUX / PERIODIC
nucleation （类型为数组）
flag
NameNoteRequiredDefault
average驱动力平均化开关✅false
roation时候转动晶粒✅false
anisotropy
NameNoteRequiredType
type各向异性函数的种类✅
parameters界面能各向异性参数✅数组
mobility界面迁移率各向异性参数✅数组
output
NameNoteRequiredType
output_time待补充✅
initial_interval初始输出时间间隔✅
every_number增大输出时间间隔的输出次数✅
factor增大输出时间间隔的输出次数时的倍数✅
variable自定义输出的额外变量✅数组
temperature
NameNoteRequiredType
T温度✅
dTdt温变速率✅
dTdx/dTdy/dTdz温度梯度✅

配置文件示例

config.yaml
{
    "alpha": {
        "element": [
            "SI",
            "NI"
        ],
        "energy": {
            "mdinterp": "D:/PFCSU/phispire/test/.stores/57042083d4ed206b319be0180bea6f13.mdinterp",
            "ncomp": 2,
            "ninput": 3,
            "ntarget": 3,
            "type": "MDInterpFunctor_Vector"
        },
        "interdiffusivity": {
            "type": "ConstantMatrixMultiComponentFunctor_Vector",
            "values": [
                4.636237609126011e-09,
                0.0,
                0.0,
                3.1347997340392758e-09
            ]
        },
        "name": "liquid",
        "type": "MultiComponentPhase_Vector"
    },
    "anisotropy": {
        "mobility": [
            0.5
        ],
        "parameters": [
            0.5
        ],
        "type": "CubicAnisotropyYang"
    },
    "beta": {
        "element": [
            "SI",
            "NI"
        ],
        "energy": {
            "mdinterp": "D:/PFCSU/phispire/test/.stores/8becd2bcb0422af1d9bcfbb3f10c8714.mdinterp",
            "ncomp": 2,
            "ninput": 3,
            "ntarget": 3,
            "type": "MDInterpFunctor_Vector"
        },
        "interdiffusivity": {
            "type": "ConstantMatrixMultiComponentFunctor_Vector",
            "values": [
                1.98172e-13,
                -1.14452e-13,
                -1.78916e-13,
                1.41911e-12
            ]
        },
        "name": "solid",
        "type": "MultiComponentPhase_Vector"
    },
    "boundary_condition": {
        "BC0X": {
            "type": "PERIODIC"
        },
        "BC0Y": {
            "type": "PERIODIC"
        },
        "BC0Z": {
            "type": "PERIODIC"
        },
        "BCNX": {
            "type": "PERIODIC"
        },
        "BCNY": {
            "type": "PERIODIC"
        },
        "BCNZ": {
            "type": "PERIODIC"
        }
    },
    "clear": true,
    "elements": [
        "SI",
        "NI",
        "CU"
    ],
    "flag": {
        "SPF": false,
        "average": true,
        "elastic": false,
        "energy": true,
        "moving_frame": false,
        "roation": false
    },
    "mesh": {
        "current_time": 0.0,
        "dt": 1e-06,
        "dx": 1e-06,
        "nx": 200.0,
        "ny": 200.0,
        "nz": 1.0,
        "simulation_time": 3.0
    },
    "nucleation": [
        {
            "type": "SetWhole",
            "variable": [
                {
                    "value": [
                        1,
                        0
                    ],
                    "varname": "phi"
                },
                {
                    "value": [
                        0.0162,
                        0.0077
                    ],
                    "varname": "c1"
                },
                {
                    "value": [
                        0.01835414,
                        0.0051839987
                    ],
                    "varname": "c2"
                }
            ]
        },
        {
            "point": [
                100.0,
                100.0,
                0.0
            ],
            "radius": 4.0,
            "smooth": true,
            "smooth_variable": "phi",
            "type": "SetSphere",
            "variable": [
                {
                    "value": [
                        0,
                        1
                    ],
                    "varname": "phi"
                },
                {
                    "value": [
                        0.01835414,
                        0.0051839987
                    ],
                    "varname": "c1"
                },
                {
                    "value": [
                        0.01835414,
                        0.0051839987
                    ],
                    "varname": "c2"
                }
            ],
            "width": 6
        }
    ],
    "omp_threads": 24,
    "output": {
        "every_number": 50,
        "factor": 2,
        "final_time": 360000.0,
        "initial_interval": 0.001,
        "output_time": 0,
        "variable": [
            "dG"
        ]
    },
    "parameter": {
        "P": [
            1.92188057302129e-07,
            1.37625897704027e-07
        ],
        "Vm": 1e-05,
        "disturbance": 0.0,
        "eta": 6e-06,
        "max_tip_length": 200.0,
        "mu": 3.6029977398687324e-10,
        "sigma": 0.24
    },
    "path": "D:/PFCSU/phispire/test/9f0305530efc90d561561fb813757c0b/results",
    "phase": {},
    "temperature": {
        "T": 1358.15,
        "dTdt": -1.0,
        "dTdx": 0.0,
        "dTdy": 0.0,
        "dTdz": 0.0,
        "type": "LinearTemperature"
    },
    "type": "MultiComponentPhaseField_Vector"
}

::

在曙光超算中使用

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