main Namespace Reference

Functions
None	processInitialConfigurations ()
	constructDotGrid (NX, NY, unitVec1, unitVec2)
	initUnitVectors (str originalCorrVTK)
	plotComparisonHistogram (list realizationNumbers)
np.ndarray	circularShift (np.ndarray corrArray, np.ndarray gridSize)
int	main ()
	readVTKnoise (str fname)

Variables
dict	file_templates
dict	AnalyticalSolidSolution_parameters
dict	Material_parameters
dict	Polycrystal_parameters
dict	MDSolidSolution_parameters
dict	MDStackingFault_parameters

Function Documentation

circularShift()

np ndarray main.circularShift	(	np.ndarray	corrArray,
		np.ndarray	gridSize )

Definition at line 220 of file analyticalSolidSolutionCorrelations/main.py.

constructDotGrid()

main.constructDotGrid	(		NX,
			NY,
			unitVec1,
			unitVec2 )

Definition at line 149 of file analyticalSolidSolutionCorrelations/main.py.

initUnitVectors()

main.initUnitVectors

(

str

originalCorrVTK

)

Definition at line 161 of file analyticalSolidSolutionCorrelations/main.py.

main()

int main.main

(

)

Definition at line 233 of file analyticalSolidSolutionCorrelations/main.py.

plotComparisonHistogram()

main.plotComparisonHistogram

(

list

realizationNumbers

)

Definition at line 186 of file analyticalSolidSolutionCorrelations/main.py.

processInitialConfigurations()

None main.processInitialConfigurations

(

)

Definition at line 85 of file analyticalSolidSolutionCorrelations/main.py.

readVTKnoise()

main.readVTKnoise

(

str

fname

)

Definition at line 94 of file mdSolidSolutionCorrelations/main.py.

Variable Documentation

AnalyticalSolidSolution_parameters

dict main.AnalyticalSolidSolution_parameters

Initial value:

=  {
    "variables": {
        # Scalar parameters (use setInputVariable)
        "type": "AnalyticalSolidSolutionNoise",
        "tag": 1,
        "seed": 2,
        "outputNoise": 1,
        "a_cai_SI": 1,
    },
    "vectors": {
        # Vector parameters with comments (use setInputVector)
        "gridSize": {
            "value": np.array([100, 100, 1]),
            "comment": "number of grid points in each direction",
        },
        "gridSpacing_SI": {
            "value": np.array([1.0e-10, 1.0e-10, 1e-10]),
            "comment": "grid spacing in each direction",
        },
    },
    "copy_to": "inputFiles/AnalyticalSolidSolutionNoise.txt",
}

Definition at line 37 of file analyticalSolidSolutionCorrelations/main.py.

file_templates

dict main.file_templates

Initial value:

=  {
    "dd_file": Path("../../Library/DislocationDynamics/DD.txt"),
    "noise_file": Path("../../Library/GlidePlaneNoise/AnalyticalSolidSolutionNoise.txt"),
    "material_file": Path("../../Library/Materials/AlMg5.txt"),
    "elastic_deformation_file": Path(
        "../../Library/ElasticDeformation/ElasticDeformation.txt"
    ),
    "mesh": Path("../../Library/Meshes/unitCube24.msh"),
    "microstructure": Path(
        "../../Library/Microstructures/periodicDipoleIndividual.txt"
    ),
}

Definition at line 24 of file analyticalSolidSolutionCorrelations/main.py.

Material_parameters

dict main.Material_parameters

Initial value:

=  {
    "variables": {
        "enabledSlipSystems": "Shockley",
        #'glidePlaneNoise': ['MDSolidSolution.txt', 'MDStackingFault.txt'],
        "glidePlaneNoise": "AnalyticalSolidSolutionNoise.txt",
        "atomsPerUnitCell": "1",
        "dislocationMobilityType": "default",
    },
    "copy_to": "inputFiles/AlMg5.txt",
}

Definition at line 60 of file analyticalSolidSolutionCorrelations/main.py.

MDSolidSolution_parameters

dict main.MDSolidSolution_parameters

Initial value:

=  {
    "variables": {
        # Scalar parameters (use setInputVariable)
        "type": "MDSolidSolutionNoise",
        "tag": 1,
        "seed": 2,
        "outputNoise": 1,
        "a_cai_SI": 1e-16,
        # File paths (convert to absolute paths)
        "correlationFile_xz": Path(
            "../../Library/GlidePlaneNoise/MoDELCompatible_FeCr8_xz.vtk"
        ).resolve(),
        "correlationFile_yz": Path(
            "../../Library/GlidePlaneNoise/MoDELCompatible_FeCr8_yz.vtk"
        ).resolve(),
    },
    "vectors": {
        # Vector parameters with comments (use setInputVector)
        "gridSize": {
            "value": np.array([100, 100, 1]),
            "comment": "number of grid points in each direction",
        },
        "gridSpacing_SI": {
            "value": np.array([1.0e-10, 1.0e-10, 1e-10]),
            "comment": "grid spacing in each direction",
        },
    },
    "copy_to": "inputFiles/MDSolidSolution.txt",
}

Definition at line 38 of file mdSolidSolutionCorrelations/main.py.

MDStackingFault_parameters

dict main.MDStackingFault_parameters

Initial value:

=  {
    "variables": {
        # Scalar parameters (use setInputVariable)
        "type": "MDStackingFaultNoise",
        "tag": 1,
        "seed": 2,
        "outputNoise": 1,
        "noiseFile": "AlMg5_ISF.vtk",
        # File paths (convert to absolute paths)
        "correlationFile": Path(
            "../../Library/GlidePlaneNoise/AlMg5_Cx_R100_ISF.vtk"
        ).resolve(),
    },
    "vectors": {
        # Vector parameters with comments (use setInputVector)
        "gridSize": {
            "value": np.array([60, 60, 1]),
            "comment": "number of grid points in each direction",
        },
        "gridSpacing_SI": {
            "value": np.array([1.0e-10, 1.0e-10, 1e-10]),
            "comment": "grid spacing in each direction",
        },
    },
    "copy_to": "inputFiles/MDStackingFault.txt",
}

Definition at line 38 of file mdStackingFaultCorrelations/main.py.

Polycrystal_parameters

dict main.Polycrystal_parameters

Initial value:

=  {
    "parameters": {
        "absoluteTemperature": 1,
        "grain1globalX1": np.array([0, 1, 1]),
        "grain1globalX3": np.array([-1, 1, -1]),
        "boxEdges": np.array([[0, 1, 1], [-2, -1, 1], [-1, 1, -1]]),
        "boxScaling": np.array([200, 200, 200]),
        #'X0': np.array([0.5, 0.5, 0.5]),
        "X0": np.array([0.0, 0.0, 0.0]),
        "periodicFaceIDs": np.array([0, 1, 2, 3, 4, 5]),
        "gridSpacing_SI": np.array([1.0e-10, 1.0e-10]),
    }
}

Definition at line 71 of file analyticalSolidSolutionCorrelations/main.py.