tutorials/dipoleNoise/generateInputFiles.py

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import sys
sys.path.append("../../python/")
from modlibUtils import *
 
# Create folder structure
folders=['config','F','inputFiles']
for x in folders:
    if not os.path.exists(x):
        os.makedirs(x)
 
# Make a local copy of DefectiveCrystal parameters file and modify that copy if necessary
DCfile='DefectiveCrystal.txt'
DCfileTemplate='../../Library/DefectiveCrystal/'+DCfile
print("\033[1;32mCreating  DDfile\033[0m")
shutil.copy2(DCfileTemplate,'inputFiles/'+DCfile)
setInputVariable('inputFiles/'+DCfile,'physics','DislocationDynamics ElasticDeformation')
setInputVariable('inputFiles/'+DCfile,'useFEM','0')
setInputVariable('inputFiles/'+DCfile,'Nsteps','10000')  # number of simulation steps
setInputVariable('inputFiles/'+DCfile,'maxResolveSteps','0')  # number of simulation steps
setInputVariable('inputFiles/'+DCfile,'dtMax','1e25')
setInputVariable('inputFiles/'+DCfile,'outputFrequency','100')  # output frequency
setInputVector('inputFiles/'+DCfile,'periodicImageSize',np.array([2,2,2]),'n of images in each direction')
setInputVariable('inputFiles/'+DCfile,'EwaldLengthFactor','1.0')
 
# Make a local copy of noise file, and modify that copy if necessary
gridSize=1024;
gridSpacing=1e-10;
boxSize=gridSize*gridSpacing;
# Make a local copy of noise file, and modify that copy if necessary
noiseFile='AnalyticalSolidSolutionNoise.txt'
noiseFileTemplate='../../Library/GlidePlaneNoise/'+noiseFile;
print("\033[1;32mCreating  noiseFile\033[0m")
shutil.copy2(noiseFileTemplate,'inputFiles/'+noiseFile) # target filename is /dst/dir/file.ext
#setInputVariable(noiseFile,'seed','1')
setInputVariable('inputFiles/'+noiseFile,'MSSS_SI','0.45e18')
setInputVariable('inputFiles/'+noiseFile,'seed','6')
setInputVector('inputFiles/'+noiseFile,'gridSize',np.array([gridSize,gridSize,64]),'noise grid size')
 
#noiseFile='MDSolidSolution.txt';
#noiseFileTemplate='../../Library/GlidePlaneNoise/'+noiseFile;
#print("\033[1;32mCreating  noiseFile\033[0m")
#shutil.copy2(noiseFileTemplate,'inputFiles/'+noiseFile) # target filename is /dst/dir/file.ext
#setInputVariable('inputFiles/'+noiseFile,'type','MDSolidSolutionNoise')
#setInputVariable('inputFiles/'+noiseFile,'tag','0')
#setInputVariable('inputFiles/'+noiseFile,'seed','0')
#setInputVariable('inputFiles/'+noiseFile,'correlationFile_L',os.path.abspath('../../Library/GlidePlaneNoise/MDSolidSolutionCorrelations_L_MoNbTi.vtk'))
#setInputVariable('inputFiles/'+noiseFile,'correlationFile_T',os.path.abspath('../../Library/GlidePlaneNoise/MDSolidSolutionCorrelations_T_MoNbTi.vtk'))
#setInputVector('inputFiles/'+noiseFile,'gridSize',np.array([100,100,1]),'number of grid points in each direction')
#setInputVector('inputFiles/'+noiseFile,'gridSpacing_SI',np.array([1.12e-10,1.06e-10,1e-10]),'grid spacing in each direction')
#setInputVariable('inputFiles/'+noiseFile,'a_cai_SI','0')
 
# Make a local copy of material file, and modify that copy if necessary
materialFile='AlMg15.txt';
materialFileTemplate='../../Library/Materials/'+materialFile;
print("\033[1;32mCreating  materialFile\033[0m")
shutil.copy2(materialFileTemplate,'inputFiles/'+materialFile)
#setInputVariable('inputFiles/'+materialFile,'enabledSlipSystems','Shockley')
setInputVariable('inputFiles/'+materialFile,'glidePlaneNoise',noiseFile)
b_SI=getValueInFile('inputFiles/'+materialFile,'b_SI')
 
# Make a local copy of DD parameters file and modify that copy if necessary
DDfile='DD.txt'
DDfileTemplate='../../Library/DislocationDynamics/'+DDfile
print("\033[1;32mCreating  DDfile\033[0m")
shutil.copy2(DDfileTemplate,'inputFiles/'+DDfile)
setInputVariable('inputFiles/'+DDfile,'timeSteppingMethod','adaptive') # adaptive or fixed
setInputVariable('inputFiles/'+DDfile,'dxMax','1') # max nodal displacement for when timeSteppingMethod=adaptive
setInputVariable('inputFiles/'+DDfile,'use_velocityFilter','0') # don't filter velocity if noise is enabled
setInputVariable('inputFiles/'+DDfile,'useStochasticForce','0') # Langevin thermal noise enabled
setInputVariable('inputFiles/'+DDfile,'alphaLineTension','1')
setInputVariable('inputFiles/'+DDfile,'Lmin','5')  # min segment length (in Burgers vector units)
setInputVariable('inputFiles/'+DDfile,'Lmax','20')  # max segment length (in Burgers vector units)
setInputVariable('inputFiles/'+DDfile,'outputQuadraturePoints','1')  # output quadrature data
setInputVariable('inputFiles/'+DDfile,'computeElasticEnergyPerLength','1')  # output quadrature data
setInputVariable('inputFiles/'+DDfile,'glideSolverType','Galerkin')  # type of glide solver, or none
setInputVariable('inputFiles/'+DDfile,'climbSolverType','none')  # type of clim solver, or none
setInputVector('inputFiles/'+DDfile,'nodalVelocityConstraints',np.array([0.0,1.0,0.0]),'Velocty constrained in the x direction')
setInputVariable('inputFiles/'+DDfile,'remeshFrequency','0')
setInputVariable('inputFiles/'+DDfile,'maxJunctionIterations','0')
setInputVariable('inputFiles/'+DDfile,'quadPerLength','1.0')
 
# Make a local copy of ElasticDeformation file, and modify that copy if necessary
elasticDeformatinoFile='ElasticDeformation.txt';
elasticDeformatinoFileTemplate='../../Library/ElasticDeformation/'+elasticDeformatinoFile;
print("\033[1;32mCreating  elasticDeformatinoFile\033[0m")
shutil.copy2(elasticDeformatinoFileTemplate,'inputFiles/'+elasticDeformatinoFile)
#setInputVector('inputFiles/'+elasticDeformatinoFile,'ExternalStress0',np.array([0.0,0.0,0.0,0.0,0.0,0.0]),'applied stress')
setInputVector('inputFiles/'+elasticDeformatinoFile,'ExternalStrainRate',np.array([0.0,0.0,0.0,0.0,0.0,1e-8]),'applied strain rate')
setInputVector('inputFiles/'+elasticDeformatinoFile,'stiffnessRatio',np.array([0.0,0.0,0.0,0.0,0.0,1e20]),'stiffness ratio')
 
# Create polycrystal.txt using local material file
meshFile='unitCube24.msh';
meshFileTemplate='../../Library/Meshes/'+meshFile;
print("\033[1;32mCreating  polycrystalFile\033[0m")
shutil.copy2(meshFileTemplate,'inputFiles/'+meshFile)
pf=PolyCrystalFile(materialFile);
pf.absoluteTemperature=300;
pf.meshFile=meshFile
pf.alignToSlipSystem0=1
pf.boxScaling=np.array([boxSize,boxSize,boxSize])/b_SI # length of box edges in Burgers vector units
pf.periodicFaceIDs=np.array([-1])
pf.write('inputFiles')
microstructureFiles = []
 
# make a local copy of microstructure file, and modify that copy if necessary
microstructureFileID=1;
microstructureName='periodicDipoleIndividual.txt';
microstructureFileTemplate='../../Library/Microstructures/'+microstructureName;
microstructureFileLocal='inputFiles/microstructureFile'+str(microstructureFileID)+'.txt'
microstructureFiles.append('microstructureFile'+str(microstructureFileID)+'.txt')
print("\033[1;32mCreating  microstructureFile"+str(microstructureFileID)+"\033[0m")
shutil.copy2(microstructureFileTemplate,microstructureFileLocal) # target filename is /dst/dir/file.ext
setInputVector(microstructureFileLocal,'slipSystemIDs',np.array([0,-1]),'slip system IDs for each dipole')
setInputVector(microstructureFileLocal,'exitFaceIDs',np.array([4,4]),'4 is for edge, 2 for screw')
setInputMatrix(microstructureFileLocal,'dipoleCenters',np.array([[0.0,0.0,0.0],[0.0,0.0,0.0]]))
setInputVector(microstructureFileLocal,'nodesPerLine',np.array([10,10]),'number of extra nodes on each dipole')
setInputVector(microstructureFileLocal,'dipoleHeights',np.array([boxSize/b_SI/4/(np.sqrt(6)/3),boxSize/b_SI/4/(np.sqrt(6)/3)]),'height of each dipole, in number of planes')
setInputVector(microstructureFileLocal,'glideSteps',np.array([100.0,30.0]),'step of each dipole in the glide plane')
 
print("\033[1;32mCreating  initialMicrostructureFile\033[0m")
with open('inputFiles/initialMicrostructure.txt', "w") as initialMicrostructureFile:
    for micrFile in microstructureFiles:
        initialMicrostructureFile.write('microstructureFile='+micrFile+';\n')