def genPart2D(self, partName, geometry, sliceName=None, material=None,
objType=None, domainType=None, boundaryConditions=None,
descriptors=None, bandOffset=None, surfaceChargeDensity=None,
bulkDoping=None, subtractList=None):
'''Generate a 2D slice part and add it to the modelDict.
sliceName: simulation slice that the part belongs to.
'''
twoDParts = self.modelDict['slices']
# Establish the index of the current slice:
if sliceName is None:
sliceName = '0'
if len(twoDParts) > 1 or len(twoDParts) == 1 and sliceName not in twoDParts:
raise RuntimeError('sliceName cannot be unspecified if there are several slices')
if sliceName not in twoDParts:
twoDParts[sliceName] = {'sliceInfo': {'sliceName': sliceName}, 'parts': {}}
sliceParts = twoDParts[sliceName]['parts']
# Load in materials if we need them...
matLib = qmt.Materials()
slicePart = {}
# Set material:
if material is None:
slicePart['material'] = None
elif material not in self.modelDict['materials']:
# The material needs to be generated (it's probably an alloy)
self.modelDict['materials'][material] = matLib[material].serializeDict()
slicePart['material'] = material
else:
slicePart['material'] = material
# Set object type:
if objType not in ['background', 'domain', 'boundary', None]:
raise ValueError('objType not in list of known types.')
else:
slicePart['type'] = objType
# Set domainType:
if domainType not in ['semiconductor', 'metalFloating', 'metalGate', 'virtual',
'dielectric', None]:
raise ValueError('domainType not in list of known types.')
else:
slicePart['domainType'] = domainType
# Set band offset
if bandOffset is not None:
slicePart['bandOffset'] = bandOffset
if surfaceChargeDensity is not None:
slicePart['surfaceChargeDensity'] = surfaceChargeDensity
if bulkDoping is not None:
slicePart['bulkDoping'] = bulkDoping
if subtractList is None:
subtractList = []
slicePart['subtractList'] = subtractList
# Set boundary condition:
slicePart['boundaryCondition'] = boundaryConditions
# Set descriptors, used for misc., non-standard properties
slicePart['descriptors'] = descriptors
slicePart['geometry'] = geometry
sliceParts[partName] = slicePart
self.modelDict['buildOrder'][len(self.modelDict['buildOrder'])] = partName
def getSimZero(self, parts=None):
"""Retrieve the zero level for the electric potential [in Volts]."""
zeroLevelPart, zeroLevelProp = self.modelDict['comsolInfo'][
'zeroLevel']
if zeroLevelPart is None:
return 0.0
matLib = qmt.Materials(matDict=self.modelDict['materials'])
parts = parts or self.modelDict['3DParts']
zeroLevelMatName = parts[zeroLevelPart]['material']
mat_dict = matLib.find(zeroLevelMatName, eunit='eV')
return mat_dict[zeroLevelProp]
pythonPath = 'PATH_TO_QMT_ENV/envs/qmt/python'
jdkPath = 'PATH_TO_JDK/jdk1.8.0_144'
numParallelJobs = 2
####################
####################
# Make the model file. This is a json file that handles all of the inter-module
# communication and also serves as a record regarding what has been run.
modelPath = os.path.join(rootPath, 'model.json')
runModel = qmt.Model(modelPath=modelPath)
runModel.modelDict = runModel.genEmptyModelDict()
# Import the materials we need:
matLib = qmt.Materials()
runModel.modelDict['materials'] = matLib.serializeDict()
# Tell FreeCAD what to do with the names we passed in. All the units here are in microns.
# The simplest type of object directive is an extrude, which just takes one 2D
# shape and makes it into a 3D prism.
runModel.addPart('substrate', 'Rectangle', 'extrude', 'dielectric',
material='GaAs', z0=(-0.5 - 0.004 - 0.005),
thickness=0.5, meshMaxSize=0.1)
runModel.addPart('backBarrier', 'Rectangle', 'extrude', 'dielectric',
material='GaAs', z0=(- 0.004 - 0.005),
thickness=0.004, meshMaxSize=0.02)
runModel.addPart('quantumWell', 'Rectangle', 'extrude', 'semiconductor',
material='InAs', z0=(- 0.005),
thickness=0.005, meshMaxSize=0.02)
runModel.addPart('topBarrier', 'Rectangle', 'extrude', 'dielectric',