Generate the geometry description of a directional non-equiaxed grain structure, e.g., RVE cutted from a cold-rolling sheet. '--reduct' specifies the thickness reduction after rolling, and '-n' specified the number of samples cutted, e.g., n=5, then five samples will be cutted from the sheet along theta = 0 (the rolling direction), theta = 22.5, theta = 45, theta = 67.5, and theta = 90 (the transversal direction).
This commit is contained in:
Haiming Zhang
parent
657ed7ed35
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#!/usr/bin/env python
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# -*- coding: UTF-8 no BOM -*-
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import threading,time,os,subprocess,shlex,string
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import os,re,sys,math,string
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import numpy as np
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from optparse import OptionParser
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import damask
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from collections import defaultdict
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scriptID = string.replace('$Id: geom_directionalNonEquiaxedGrain.py 4290 2015-07-24 08:41:08Z hm.zhang $','\n','\\n')
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scriptName = os.path.splitext(scriptID.split()[1])[0]
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def execute(cmd,streamIn=None,wd='./'):
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'''
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executes a command in given directory and returns stdout and stderr for optional stdin
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'''
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initialPath=os.getcwd()
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os.chdir(wd)
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process = subprocess.Popen(shlex.split(cmd),stdout=subprocess.PIPE,stderr = subprocess.PIPE,stdin=subprocess.PIPE)
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if streamIn != None:
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out,error = process.communicate(streamIn.read())
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else:
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out,error = process.communicate()
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os.chdir(initialPath)
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return out,error
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# --------------------------------------------------------------------
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# MAIN
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# --------------------------------------------------------------------
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identifiers = {
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'grid': ['a','b','c'],
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'size': ['x','y','z'],
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'origin': ['x','y','z'],
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}
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mappings = {
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'grid': lambda x: int(x),
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'size': lambda x: float(x),
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'origin': lambda x: float(x),
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'homogenization': lambda x: int(x),
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'microstructures': lambda x: int(x),
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}
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parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
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Generate the geometry description of a directional non-equiaxed grain structure, e.g., RVE cutted from a cold-rolling sheet.
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The initial equiaxed grain structure is generated by standard Voronoi tessellation, '--reduct' specifies the thickness
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reduction after rolling, and '-n' specified the number of samples cutted, e.g., n=5, then five samples will be cutted from the
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sheet along \\theta = 0 (the rolling direction), \\theta = 22.5, \\theta = 45, \\theta = 67.5, and \\theta = 90 (the
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transversal direction ).
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""", version = scriptID)
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parser.add_option('-N', dest='N', type='int', metavar='int',
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help='number of seed points to distribute [%default]')
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parser.add_option('-r', '--rnd', dest='randomSeed', type='int', nargs = 2, metavar=' '.join(['int']*2),
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help='seed of random number generator [%default]')
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parser.add_option('-m', '--microstructure', dest='microstructure', type='int', metavar='int',
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help='first microstructure index [%default]')
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parser.add_option('-g', '--grid', dest='grid', type='int', nargs = 3, metavar=' '.join(['int']*3),
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help='a,b,c grid of hexahedral box [from seeds file]')
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parser.add_option('-s', '--size', dest='size', type='float', nargs = 3, metavar=' '.join(['float']*3),
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help='x,y,z size of hexahedral box [1.0 along largest grid point number]')
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parser.add_option('--phase', dest='phase', type='int', metavar = 'int',
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help='phase index to be used [%default]')
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parser.add_option('--crystallite', dest='crystallite', type='int', metavar = 'int',
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help='crystallite index to be used [%default]')
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parser.add_option('-c', '--configuration', dest='config', action='store_true',
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help='output material configuration [%default]')
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parser.add_option('--secondphase', type='float', dest='secondphase', metavar= 'float',
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help='volume fraction of randomly distribute second phase [%default]')
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parser.add_option('-l', '--laguerre', dest='laguerre', action='store_true',
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help='use Laguerre (weighted Voronoi) tessellation [%default]')
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parser.add_option('-n', dest='number', type='int', metavar='int',
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help='the angle(degree) between the longitudinal direction of RVE and the rolling direction [%default]')
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parser.add_option('--reduct', dest='reduction', type='float', metavar='float',
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help='thickness reduction of rolling [%default]')
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parser.set_defaults(
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N = 500,
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grid = (200,100,50),
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size = (2.0,1.0,0.5),
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phase = 1,
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crystallite = 1,
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secondphase = 0.0,
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microstructure = 1,
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laguerre = False,
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randomSeed = (None,None),
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config = False,
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number = 5,
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reduction = 0.6
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)
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(options,filenames) = parser.parse_args()
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options.grid = np.array(options.grid)
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sizeX = sizeY = max(options.size[0], options.size[1])
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gridX, gridY = int(np.ceil(sizeX/options.size[0]*options.grid[0]))+1,int(np.ceil(sizeX/options.size[1]*options.grid[1]))+1
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gridx, gridy, gridz = options.grid; sizex, sizey, sizez = options.size
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nGrids = gridx*gridy*gridz; avgGrids = nGrids/options.N
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dx, dy = options.size[0]/options.grid[0], options.size[1]/options.grid[1]
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Ngrains = int(np.ceil(sizeX*sizeY/options.size[0]/options.size[1]*options.N))
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filename = 'grains'+str(Ngrains)+'_'+str(gridX)+str(gridY)+str(options.grid[2])
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thickness = 1.0-options.reduction
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print 'run seeds_fromRandom'
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execute('seeds_fromRandom -N %i -g %i %i %i %s.seeds'%(Ngrains,int(gridX*thickness)+1, gridY, int(gridz/thickness)+1, filename))
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print 'run geom_fromVoronoiTessellation'
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execute('geom_fromVoronoiTessellation -s %s %s %s < %s.seeds'%(sizeX*thickness, sizeY, sizez/thickness,filename))
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print 'run geom_rescale'
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execute('geom_rescale -g %i %i %i -s %s %s %s < %s.geom > %s_scale.geom'%(gridX, gridY, gridz,
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sizeX, sizeY, sizez,filename,filename) )
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print ('the size of the cutted RVE is %sX%sX%s'%(sizex, sizey, sizez) )
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print ('the thickness reduction is %s'%('{:.1%}'.format(options.reduction)))
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# --- loop over input files -------------------------------------------------------------------------
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filenames = [filename+'.geom']
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for theta in np.linspace(0, np.pi/2, options.number):
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postfix = str(int(np.round(theta*180.0/np.pi)))
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c_t, s_t = np.cos(theta), np.sin(theta)
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offsetX, offsetY = 0.5*( sizeX - (sizex*c_t-sizey*s_t) ), 0.5*( sizeY - (sizex*s_t+sizey*c_t) )
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for name in filenames:
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if name == 'STDIN':
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file = {'name':'STDIN', 'input':sys.stdin, 'output':sys.stdout, 'croak':sys.stderr}
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file['croak'].write('\033[1m'+scriptName+'\033[0m\n')
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else:
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if not os.path.exists(name): continue
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file = {'name':name, 'input':open(name), 'output':open(name+postfix+'_tmp','w'), 'croak':sys.stderr}
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file['croak'].write('\033[1m'+scriptName+'\033[0m: '+file['name']+'\n')
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table = damask.ASCIItable(file['input'],file['output'],buffered=False) # make unbuffered ASCII_table
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table.head_read() # read ASCII header info
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#--- interpret header ----------------------------------------------------------------------------
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info = {
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'grid': np.zeros(3,'i'),
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'size': np.array((0.0,0.0,0.0)),
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'origin': np.zeros(3,'d'),
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'microstructures': 0,
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'homogenization': 0,
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}
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newInfo = {
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'microstructures': 0,
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}
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extra_header = []
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for header in table.info:
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headitems = map(str.lower,header.split())
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if len(headitems) == 0: continue
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if headitems[0] in mappings.keys():
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if headitems[0] in identifiers.keys():
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for i in xrange(len(identifiers[headitems[0]])):
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info[headitems[0]][i] = \
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mappings[headitems[0]](headitems[headitems.index(identifiers[headitems[0]][i])+1])
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else:
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info[headitems[0]] = mappings[headitems[0]](headitems[1])
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else:
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extra_header.append(header)
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newInfo['microstructures'] = info['microstructures']
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if 0 not in options.grid: # user-specified grid
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info['grid'] = np.array(options.grid)
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for i in xrange(3):
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if info['size'][i] <= 0.0: # any invalid size?
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info['size'][i] = float(info['grid'][i])/max(info['grid'])
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file['croak'].write('rescaling size %s...\n'%{0:'x',1:'y',2:'z'}[i])
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if np.any(info['grid'] < 1):
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file['croak'].write('invalid grid a b c.\n')
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continue
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if np.any(info['size'] <= 0.0):
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file['croak'].write('invalid size x y z.\n')
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continue
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# read the topological data from maternal RVE file
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print ( 'cut the RVE along the direction of theta = %i'%(np.round(theta*180/np.pi)) )
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GrainNo = np.chararray((gridX, gridY, gridz), itemsize=6)
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for i in xrange(gridY*gridz):
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content = file['input'].readline().split()
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for j in xrange(gridX): GrainNo[j, np.mod(i,gridY), i/gridY] = content[j]
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# cut a sub-RVE cooresponding to the specified direction from the maternal RVE
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subGrainNo = np.chararray((gridx, gridz, gridy), itemsize=6)
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for i in xrange(gridx):
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for j in xrange(gridy):
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I = int(np.floor( (dx*(i+0.5)*c_t - dy*(j+0.5)*s_t + offsetX)/dx))
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J = int(np.floor( (dx*(i+0.5)*s_t + dy*(j+0.5)*c_t + offsetY)/dy))
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I = min(I, gridX-1); J = min(J, gridY-1)
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for k in xrange(gridz): subGrainNo[i,k,j] = GrainNo[I,J,k]
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subGrainNoVec = subGrainNo.reshape(nGrids)
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# count the number of grains in the sub-RVE
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index = defaultdict(list)
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for i in xrange(nGrids): index[subGrainNoVec[i]].append(i)
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ngrains = len(index)
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# count the broken (scattered) grains due to the cutting, and merge them.
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if ngrains > options.N*1.1:
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N1, N2 = 0, nGrids
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for key in index:
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if len(index[key])>=0.4*avgGrids:
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N1+=1; N2-=len(index[key]) # N1: valid grains; N2: number of grids needed to be re-assigned orientation
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ngrid2 = min(int(0.8*avgGrids), N2/(options.N-N1)+1) # grid in each grain
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newGrains = N2/ngrid2+1
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a = [ngrid2]*(newGrains)
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for key in index:
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if len(index[key])<0.4*avgGrids:
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for i in xrange(newGrains):
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if a[i] >= len(index[key]):
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for j in index[key]: subGrainNoVec[j] = -i-1
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a[i] -= len(index[key])
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break
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index = defaultdict(list)
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for i in xrange(nGrids): index[subGrainNoVec[i]].append(i)
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ngrains = len(index)
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# assign orientations
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grainsNo = np.arange(ngrains); np.random.shuffle(grainsNo)
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for i,key in enumerate(index):
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no = str(grainsNo[i]+1)
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for j in index[key]: subGrainNoVec[int(j)] = no
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newInfo['microstructures'] = ngrains
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if newInfo['microstructures'] == 0:
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file['croak'].write('no grain info found.\n')
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continue
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#--- write header ---------------------------------------------------------------------------------
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table.labels_clear()
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table.info_clear()
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table.info_append(extra_header+[
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scriptID + ' ' + ' '.join(sys.argv[1:]),
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"grid\ta %i\tb %i\tc %i"%(info['grid'][0],info['grid'][1],info['grid'][2],),
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"size\tx %f\ty %f\tz %f"%(options.size[0],options.size[1],options.size[2],),
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"origin\tx %f\ty %f\tz %f"%(info['origin'][0],info['origin'][1],info['origin'][2],),
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"homogenization\t%i"%info['homogenization'],
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"microstructures\t%i"%(newInfo['microstructures']),
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])
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table.head_write()
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# --- write microstructure information ------------------------------------------------------------
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formatwidth = 1+int(math.log10(newInfo['microstructures']))
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table.data = np.array(map(int, subGrainNoVec)).reshape(gridx, gridy*gridz).T
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table.data_writeArray('%%%ii'%(formatwidth),delimiter=' ')
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#--- output finalization --------------------------------------------------------------------------
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if file['name'] != 'STDIN':
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prefix = os.path.splitext(file['name'])[0].replace('grains'+str(Ngrains),'grains'+str(ngrains))
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os.rename(name+postfix+'_tmp',
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prefix+'%s'%('_material.config' if options.config else '_'+postfix+'.geom'))
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table.close()
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