Mdinterp

能量插值耦合文件的生成

多维插值耦合数据文件的生成 (mesospire_shell)

方式 1：mesospire_shell基于内置的能量数据库（MultiComponentPhase/MultiComponentPhase_Vector）生成，所用工具为mesospire_shell
配置文件示例
适用于MultiComponentCustomPhase
{
    "type": "MockMultiComponentPhase",
    "elements": ["MG", "SI"],
    "mock_setting": {
        "MG": {
            "lower": 0.0,
            "upper": 0.2,
            "theshold": 1.0e-7,
            "types": ["logit", "logit", "linear"],
            "grid_points": [1.0e-5, 1.0e-2, 0.2],
            "grid_nums": [50, 50, 100]
        },
        "SI": {
            "lower": 0.0,
            "upper": 0.2,
            "theshold": 1.0e-7,
            "types": ["logit", "logit", "linear"],
            "grid_points": [1.0e-5, 1.0e-2, 0.2],
            "grid_nums": [50, 50, 100]
        },
        "T": {
            "lower": 500.0,
            "upper": 1000.0,
            "theshold": 500.0,
            "types": ["sqrt"],
            "grid_points": [1000.0],
            "grid_nums": [100]
        }
    },
    "validate_setting": {
        "MG": {
            "lower": 0.0,
            "upper": 0.2,
            "theshold": 1.0e-7,
            "types": ["log"],
            "grid_points": [0.2],
            "grid_nums": [50]
        },
        "SI": {
            "lower": 0.0,
            "upper": 0.2,
            "theshold": 1.0e-7,
            "types": ["log"],
            "grid_points": [0.2],
            "grid_nums": [50]
        },
        "T": {
            "lower": 500.0,
            "upper": 1000.0,
            "theshold": 500.0,
            "types": ["linear"],
            "grid_points": [1000.0],
            "grid_nums": [50]
        }
    },
    "energy_destination": "almgsi_energy.cchi",
    "diffusion_destination": "almgsi_diffusion.cchi",
    "phase": {
        "type": "MultiComponentCustomPhase",
        "name": "liquid",
        "element": [
            "MG",
            "SI"
        ],
        "gibbs_energy": {
            "type": "AlMgSi_tangLIQUIDGibbsEnergy"
        },
        "diffusion_potential": {
            "type": "AlMgSi_tangLIQUIDDiffusionPotential"
        },
        "diffusivity": {
            "type": "AlMgSi_tangLIQUIDDiffusivity"
        }
    },
    "path": "results",
    "enable_check": true
}
适用于MultiComponentPhase_Vector
{
    "type": "MockMultiComponentPhase_Vector",
    "elements": ["MG", "SI"],
    "mock_setting": {
        "MG": {
            "lower": 0.0,
            "upper": 0.2,
            "theshold": 1.0e-7,
            "types": ["logit", "logit", "linear"],
            "grid_points": [1.0e-5, 1.0e-2, 0.2],
            "grid_nums": [50, 50, 100]
        },
        "SI": {
            "lower": 0.0,
            "upper": 0.2,
            "theshold": 1.0e-7,
            "types": ["logit", "logit", "linear"],
            "grid_points": [1.0e-5, 1.0e-2, 0.2],
            "grid_nums": [50, 50, 100]
        },
        "T": {
            "lower": 500.0,
            "upper": 1000.0,
            "theshold": 500.0,
            "types": ["sqrt"],
            "grid_points": [1000.0],
            "grid_nums": [100]
        }
    },
    "validate_setting": {
        "MG": {
            "lower": 0.0,
            "upper": 0.2,
            "theshold": 1.0e-7,
            "types": ["log"],
            "grid_points": [0.2],
            "grid_nums": [50]
        },
        "SI": {
            "lower": 0.0,
            "upper": 0.2,
            "theshold": 1.0e-7,
            "types": ["log"],
            "grid_points": [0.2],
            "grid_nums": [50]
        },
        "T": {
            "lower": 500.0,
            "upper": 1000.0,
            "theshold": 500.0,
            "types": ["linear"],
            "grid_points": [1000.0],
            "grid_nums": [50]
        }
    },
    "energy_destination": "almgsi_energy.cchi",
    "diffusion_destination": "almgsi_diffusion.cchi",
    "phase": {
        "energy": {
            "type": "CuNiSiNoMagn_Vector_Liquid"
        },
        "interdiffusivity": {
            "type": "ConstantMatrixMultiComponentFunctor_Vector",
            "values": [
                1e-9, 0.0, 0.0, 1.0e-9
            ]
        },
        "element": ["NI", "SI"],
        "name": "Liquid",
        "type": "MultiComponentPhase_Vector"
    },
    "path": "results",
    "enable_check": true
}
方式 2：基于高通量计算模块进行生成（待补充）

多维插值耦合数据文件格式

文本格式

二进制格式（待补充）

多元能量的导出和打印

合金凝固模块