Merge branch 'development' into geometry-class
This commit is contained in:
Martin Diehl
commit
bf27505faa
2
PRIVATE
2
PRIVATE
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|
@ -1 +1 @@
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Subproject commit c93e2b1d7c39167fff9f1484857c58d34090d3f6
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Subproject commit c1760887ba01630c0c4383817567e14efc5279e2
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@ -22,10 +22,15 @@ parser.add_argument('filenames', nargs='+',
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help='DADF5 files')
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parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
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help='name of subdirectory to hold output')
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parser.add_argument('--mat', nargs='+',
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help='labels for materialpoint/homogenization',dest='mat')
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parser.add_argument('--con', nargs='+',
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help='labels for constituent/crystallite/constitutive',dest='con')
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options = parser.parse_args()
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options.labels = ['Fe','Fp','xi_sl']
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if options.mat is None: options.mat=[]
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if options.con is None: options.con=[]
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# --- loop over input files ------------------------------------------------------------------------
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@ -48,16 +53,13 @@ for filename in options.filenames:
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data = np.array([inc['inc'] for j in range(np.product(results.grid))]).reshape([np.product(results.grid),1])
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header+= 'inc'
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data = np.concatenate((data,np.array([j+1 for j in range(np.product(results.grid))]).reshape([np.product(results.grid),1])),1)
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header+=' node'
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coords = coords.reshape([np.product(results.grid),3])
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data = np.concatenate((data,coords),1)
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header+=' 1_pos 2_pos 3_pos'
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results.active['increments'] = [inc]
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for label in options.labels:
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for label in options.con:
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for o in results.c_output_types:
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results.active['c_output_types'] = [o]
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for c in results.constituents:
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@ -67,12 +69,33 @@ for filename in options.filenames:
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continue
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label = x[0].split('/')[-1]
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array = results.read_dataset(x,0)
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d = np.product(np.shape(array)[1:])
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d = int(np.product(np.shape(array)[1:]))
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array = np.reshape(array,[np.product(results.grid),d])
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data = np.concatenate((data,array),1)
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header+= ''.join([' {}_{}'.format(j+1,label) for j in range(d)])
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if d>1:
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header+= ''.join([' {}_{}'.format(j+1,label) for j in range(d)])
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else:
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header+=' '+label
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for label in options.mat:
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for o in results.m_output_types:
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results.active['m_output_types'] = [o]
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for m in results.materialpoints:
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results.active['materialpoints'] = [m]
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x = results.get_dataset_location(label)
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if len(x) == 0:
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continue
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label = x[0].split('/')[-1]
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array = results.read_dataset(x,0)
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d = int(np.product(np.shape(array)[1:]))
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array = np.reshape(array,[np.product(results.grid),d])
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data = np.concatenate((data,array),1)
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if d>1:
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header+= ''.join([' {}_{}'.format(j+1,label) for j in range(d)])
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else:
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header+=' '+label
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dirname = os.path.abspath(os.path.join(os.path.dirname(filename),options.dir))
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try:
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|
|
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@ -23,10 +23,15 @@ parser.add_argument('filenames', nargs='+',
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help='DADF5 files')
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parser.add_argument('-d','--dir', dest='dir',default='postProc',metavar='string',
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help='name of subdirectory to hold output')
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parser.add_argument('--mat', nargs='+',
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help='labels for materialpoint/homogenization',dest='mat')
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parser.add_argument('--con', nargs='+',
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help='labels for constituent/crystallite/constitutive',dest='con')
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options = parser.parse_args()
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options.labels = ['Fe','Fp','xi_sl']
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if options.mat is None: options.mat=[]
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if options.con is None: options.con=[]
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# --- loop over input files ------------------------------------------------------------------------
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@ -54,7 +59,9 @@ for filename in options.filenames:
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print('Output step {}/{}'.format(i+1,len(results.increments)))
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vtk_data = []
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results.active['increments'] = [inc]
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for label in options.labels:
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for label in options.con:
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for o in results.c_output_types:
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results.active['c_output_types'] = [o]
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if o != 'generic':
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@ -48,16 +48,24 @@ class DADF5():
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for o in f['inc{:05}/constituent/{}'.format(self.increments[0]['inc'],c)].keys():
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self.c_output_types.append(o)
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self.c_output_types = list(set(self.c_output_types)) # make unique
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self.m_output_types = []
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for m in self.materialpoints:
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for o in f['inc{:05}/materialpoint/{}'.format(self.increments[0]['inc'],m)].keys():
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self.m_output_types.append(o)
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self.m_output_types = list(set(self.m_output_types)) # make unique
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self.active= {'increments': self.increments,
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'constituents': self.constituents,
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'materialpoints': self.materialpoints,
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'constituent': self.Nconstituents,
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'c_output_types': self.c_output_types}
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'c_output_types': self.c_output_types,
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'm_output_types': self.m_output_types}
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self.filename = filename
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self.mode = mode
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def list_data(self):
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"""Shows information on all datasets in the file"""
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with h5py.File(self.filename,'r') as f:
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@ -73,6 +81,16 @@ class DADF5():
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print(' {} ({})'.format(x,f[group_output_types+'/'+x].attrs['Description'].decode()))
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except:
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pass
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for m in self.active['materialpoints']:
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group_materialpoint = group_inc+'/materialpoint/'+m
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for t in self.active['m_output_types']:
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print(' {}'.format(t))
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group_output_types = group_materialpoint+'/'+t
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try:
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for x in f[group_output_types].keys():
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print(' {} ({})'.format(x,f[group_output_types+'/'+x].attrs['Description'].decode()))
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except:
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pass
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def get_dataset_location(self,label):
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@ -81,14 +99,25 @@ class DADF5():
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with h5py.File(self.filename,'r') as f:
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for i in self.active['increments']:
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group_inc = 'inc{:05}'.format(i['inc'])
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for c in self.active['constituents']:
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group_constituent = group_inc+'/constituent/'+c
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for t in self.active['c_output_types']:
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try:
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f[group_constituent+'/'+t+'/'+label]
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path.append(group_constituent+'/'+t+'/'+label)
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except:
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pass
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except Exception as e:
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print('unable to locate constituents dataset: '+ str(e))
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for m in self.active['materialpoints']:
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group_materialpoint = group_inc+'/materialpoint/'+m
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for t in self.active['m_output_types']:
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try:
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f[group_materialpoint+'/'+t+'/'+label]
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path.append(group_materialpoint+'/'+t+'/'+label)
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except Exception as e:
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print('unable to locate materialpoints dataset: '+ str(e))
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return path
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@ -100,13 +129,29 @@ class DADF5():
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"""
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with h5py.File(self.filename,'r') as f:
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shape = (self.Nmaterialpoints,) + np.shape(f[path[0]])[1:]
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if len(shape) == 1: shape = shape +(1,)
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dataset = np.full(shape,np.nan)
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for pa in path:
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label = pa.split('/')[2]
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p = np.where(f['mapping/cellResults/constituent'][:,c]['Name'] == str.encode(label))[0]
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u = (f['mapping/cellResults/constituent'][p,c]['Position'])
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dataset[p,:] = f[pa][u,:]
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try:
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p = np.where(f['mapping/cellResults/constituent'][:,c]['Name'] == str.encode(label))[0]
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u = (f['mapping/cellResults/constituent'][p,c]['Position'])
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a = np.array(f[pa])
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if len(a.shape) == 1:
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a=a.reshape([a.shape[0],1])
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dataset[p,:] = a[u,:]
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except Exception as e:
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print('unable to read constituent: '+ str(e))
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try:
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p = np.where(f['mapping/cellResults/materialpoint']['Name'] == str.encode(label))[0]
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u = (f['mapping/cellResults/materialpoint'][p.tolist()]['Position'])
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a = np.array(f[pa])
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if len(a.shape) == 1:
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a=a.reshape([a.shape[0],1])
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dataset[p,:] = a[u,:]
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except Exception as e:
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print('unable to read materialpoint: '+ str(e))
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return dataset
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@ -46,7 +46,6 @@
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#include "plastic_nonlocal.f90"
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#include "constitutive.f90"
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#include "crystallite.f90"
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#include "homogenization_mech_RGC.f90"
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#include "thermal_isothermal.f90"
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#include "thermal_adiabatic.f90"
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#include "thermal_conduction.f90"
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@ -56,4 +55,5 @@
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#include "homogenization.f90"
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#include "homogenization_mech_none.f90"
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#include "homogenization_mech_isostrain.f90"
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#include "homogenization_mech_RGC.f90"
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#include "CPFEM.f90"
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@ -6,7 +6,20 @@
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!--------------------------------------------------------------------------------------------------
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module homogenization
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use prec
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use IO
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use config
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use debug
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use math
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use material
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use numerics
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use constitutive
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use crystallite
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use mesh
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use FEsolving
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#if defined(PETSc) || defined(DAMASK_HDF5)
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use results
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use HDF5_utilities
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#endif
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!--------------------------------------------------------------------------------------------------
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! General variables for the homogenization at a material point
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@ -22,7 +35,6 @@ module homogenization
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materialpoint_results !< results array of material point
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integer, public, protected :: &
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materialpoint_sizeResults, &
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homogenization_maxSizePostResults, &
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thermal_maxSizePostResults, &
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damage_maxSizePostResults
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|
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@ -47,11 +59,24 @@ module homogenization
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module subroutine mech_isostrain_init
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end subroutine mech_isostrain_init
|
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|
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module subroutine mech_RGC_init
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end subroutine mech_RGC_init
|
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|
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|
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module subroutine mech_isostrain_partitionDeformation(F,avgF)
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real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
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real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
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end subroutine mech_isostrain_partitionDeformation
|
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|
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module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
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real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
|
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real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
|
||||
integer, intent(in) :: &
|
||||
instance, &
|
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of
|
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end subroutine mech_RGC_partitionDeformation
|
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|
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|
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module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
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real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
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||||
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
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|
|
@ -60,7 +85,37 @@ module homogenization
|
|||
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
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integer, intent(in) :: instance
|
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end subroutine mech_isostrain_averageStressAndItsTangent
|
||||
|
||||
module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
|
||||
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
|
||||
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
|
||||
|
||||
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
|
||||
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
||||
integer, intent(in) :: instance
|
||||
end subroutine mech_RGC_averageStressAndItsTangent
|
||||
|
||||
|
||||
module function mech_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||
logical, dimension(2) :: mech_RGC_updateState
|
||||
real(pReal), dimension(:,:,:), intent(in) :: &
|
||||
P,& !< partitioned stresses
|
||||
F,& !< partitioned deformation gradients
|
||||
F0 !< partitioned initial deformation gradients
|
||||
real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
|
||||
real(pReal), dimension(3,3), intent(in) :: avgF !< average F
|
||||
real(pReal), intent(in) :: dt !< time increment
|
||||
integer, intent(in) :: &
|
||||
ip, & !< integration point number
|
||||
el !< element number
|
||||
end function mech_RGC_updateState
|
||||
|
||||
|
||||
module subroutine mech_RGC_results(instance,group)
|
||||
integer, intent(in) :: instance !< homogenization instance
|
||||
character(len=*), intent(in) :: group !< group name in HDF5 file
|
||||
end subroutine mech_RGC_results
|
||||
|
||||
end interface
|
||||
|
||||
public :: &
|
||||
|
|
@ -68,11 +123,6 @@ module homogenization
|
|||
materialpoint_stressAndItsTangent, &
|
||||
materialpoint_postResults, &
|
||||
homogenization_results
|
||||
private :: &
|
||||
partitionDeformation, &
|
||||
updateState, &
|
||||
averageStressAndItsTangent, &
|
||||
postResults
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -81,36 +131,12 @@ contains
|
|||
!> @brief module initialization
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine homogenization_init
|
||||
use math, only: &
|
||||
math_I3
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_homogenization, &
|
||||
debug_levelBasic, &
|
||||
debug_e, &
|
||||
debug_g
|
||||
use mesh, only: &
|
||||
theMesh, &
|
||||
mesh_element
|
||||
use constitutive, only: &
|
||||
constitutive_plasticity_maxSizePostResults, &
|
||||
constitutive_source_maxSizePostResults
|
||||
use crystallite, only: &
|
||||
crystallite_maxSizePostResults
|
||||
use config, only: &
|
||||
config_deallocate, &
|
||||
config_homogenization, &
|
||||
homogenization_name
|
||||
use homogenization_mech_RGC
|
||||
use thermal_isothermal
|
||||
use thermal_adiabatic
|
||||
use thermal_conduction
|
||||
use damage_none
|
||||
use damage_local
|
||||
use damage_nonlocal
|
||||
use IO
|
||||
use numerics, only: &
|
||||
worldrank
|
||||
|
||||
integer, parameter :: FILEUNIT = 200
|
||||
integer :: e,i,p
|
||||
|
|
@ -120,10 +146,9 @@ subroutine homogenization_init
|
|||
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
||||
logical :: valid
|
||||
|
||||
|
||||
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call mech_none_init
|
||||
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mech_isostrain_init
|
||||
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call homogenization_RGC_init
|
||||
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call mech_RGC_init
|
||||
|
||||
if (any(thermal_type == THERMAL_isothermal_ID)) call thermal_isothermal_init
|
||||
if (any(thermal_type == THERMAL_adiabatic_ID)) call thermal_adiabatic_init
|
||||
|
|
@ -135,39 +160,14 @@ subroutine homogenization_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write description file for homogenization output
|
||||
mainProcess2: if (worldrank == 0) then
|
||||
mainProcess: if (worldrank == 0) then
|
||||
call IO_write_jobFile(FILEUNIT,'outputHomogenization')
|
||||
do p = 1,size(config_homogenization)
|
||||
if (any(material_homogenizationAt == p)) then
|
||||
i = homogenization_typeInstance(p) ! which instance of this homogenization type
|
||||
valid = .true. ! assume valid
|
||||
select case(homogenization_type(p)) ! split per homogenization type
|
||||
case (HOMOGENIZATION_NONE_ID)
|
||||
outputName = HOMOGENIZATION_NONE_label
|
||||
thisOutput => null()
|
||||
thisSize => null()
|
||||
case (HOMOGENIZATION_ISOSTRAIN_ID)
|
||||
outputName = HOMOGENIZATION_ISOSTRAIN_label
|
||||
thisOutput => null()
|
||||
thisSize => null()
|
||||
case (HOMOGENIZATION_RGC_ID)
|
||||
outputName = HOMOGENIZATION_RGC_label
|
||||
thisOutput => homogenization_RGC_output
|
||||
thisSize => homogenization_RGC_sizePostResult
|
||||
case default
|
||||
valid = .false.
|
||||
end select
|
||||
write(FILEUNIT,'(/,a,/)') '['//trim(homogenization_name(p))//']'
|
||||
if (valid) then
|
||||
write(FILEUNIT,'(a)') '(type)'//char(9)//trim(outputName)
|
||||
write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
|
||||
if (homogenization_type(p) /= HOMOGENIZATION_NONE_ID .and. &
|
||||
homogenization_type(p) /= HOMOGENIZATION_ISOSTRAIN_ID) then
|
||||
do e = 1,size(thisOutput(:,i))
|
||||
write(FILEUNIT,'(a,i4)') trim(thisOutput(e,i))//char(9),thisSize(e,i)
|
||||
enddo
|
||||
endif
|
||||
endif
|
||||
write(FILEUNIT,'(a)') '(type) n/a'
|
||||
write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
|
||||
|
||||
i = thermal_typeInstance(p) ! which instance of this thermal type
|
||||
valid = .true. ! assume valid
|
||||
select case(thermal_type(p)) ! split per thermal type
|
||||
|
|
@ -197,6 +197,7 @@ subroutine homogenization_init
|
|||
enddo
|
||||
endif
|
||||
endif
|
||||
|
||||
i = damage_typeInstance(p) ! which instance of this damage type
|
||||
valid = .true. ! assume valid
|
||||
select case(damage_type(p)) ! split per damage type
|
||||
|
|
@ -229,7 +230,7 @@ subroutine homogenization_init
|
|||
endif
|
||||
enddo
|
||||
close(FILEUNIT)
|
||||
endif mainProcess2
|
||||
endif mainProcess
|
||||
|
||||
call config_deallocate('material.config/homogenization')
|
||||
|
||||
|
|
@ -237,7 +238,7 @@ subroutine homogenization_init
|
|||
! allocate and initialize global variables
|
||||
allocate(materialpoint_dPdF(3,3,3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
|
||||
allocate(materialpoint_F0(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
|
||||
materialpoint_F0 = spread(spread(math_I3,3,theMesh%elem%nIPs),4,theMesh%nElems) ! initialize to identity
|
||||
materialpoint_F0 = spread(spread(math_I3,3,theMesh%elem%nIPs),4,theMesh%nElems) ! initialize to identity
|
||||
allocate(materialpoint_F(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
|
||||
materialpoint_F = materialpoint_F0 ! initialize to identity
|
||||
allocate(materialpoint_subF0(3,3,theMesh%elem%nIPs,theMesh%nElems), source=0.0_pReal)
|
||||
|
|
@ -252,18 +253,15 @@ subroutine homogenization_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate and initialize global state and postresutls variables
|
||||
homogenization_maxSizePostResults = 0
|
||||
thermal_maxSizePostResults = 0
|
||||
damage_maxSizePostResults = 0
|
||||
do p = 1,size(config_homogenization)
|
||||
homogenization_maxSizePostResults = max(homogenization_maxSizePostResults,homogState (p)%sizePostResults)
|
||||
thermal_maxSizePostResults = max(thermal_maxSizePostResults, thermalState (p)%sizePostResults)
|
||||
damage_maxSizePostResults = max(damage_maxSizePostResults ,damageState (p)%sizePostResults)
|
||||
enddo
|
||||
|
||||
materialpoint_sizeResults = 1 & ! grain count
|
||||
+ 1 + homogenization_maxSizePostResults & ! homogSize & homogResult
|
||||
+ thermal_maxSizePostResults &
|
||||
+ 1 + thermal_maxSizePostResults &
|
||||
+ damage_maxSizePostResults &
|
||||
+ homogenization_maxNgrains * (1 + crystallite_maxSizePostResults & ! crystallite size & crystallite results
|
||||
+ 1 + constitutive_plasticity_maxSizePostResults & ! constitutive size & constitutive results
|
||||
|
|
@ -273,11 +271,6 @@ subroutine homogenization_init
|
|||
write(6,'(/,a)') ' <<<+- homogenization init -+>>>'
|
||||
|
||||
if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0) then
|
||||
#ifdef TODO
|
||||
write(6,'(a32,1x,7(i8,1x))') 'homogenization_state0: ', shape(homogenization_state0)
|
||||
write(6,'(a32,1x,7(i8,1x))') 'homogenization_subState0: ', shape(homogenization_subState0)
|
||||
write(6,'(a32,1x,7(i8,1x))') 'homogenization_state: ', shape(homogenization_state)
|
||||
#endif
|
||||
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_dPdF: ', shape(materialpoint_dPdF)
|
||||
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F0: ', shape(materialpoint_F0)
|
||||
write(6,'(a32,1x,7(i8,1x))') 'materialpoint_F: ', shape(materialpoint_F)
|
||||
|
|
@ -303,51 +296,6 @@ end subroutine homogenization_init
|
|||
!> @brief parallelized calculation of stress and corresponding tangent at material points
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
||||
use numerics, only: &
|
||||
subStepMinHomog, &
|
||||
subStepSizeHomog, &
|
||||
stepIncreaseHomog, &
|
||||
nMPstate
|
||||
use FEsolving, only: &
|
||||
FEsolving_execElem, &
|
||||
FEsolving_execIP, &
|
||||
terminallyIll
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use crystallite, only: &
|
||||
crystallite_F0, &
|
||||
crystallite_Fp0, &
|
||||
crystallite_Fp, &
|
||||
crystallite_Fi0, &
|
||||
crystallite_Fi, &
|
||||
crystallite_Lp0, &
|
||||
crystallite_Lp, &
|
||||
crystallite_Li0, &
|
||||
crystallite_Li, &
|
||||
crystallite_S0, &
|
||||
crystallite_S, &
|
||||
crystallite_partionedF0, &
|
||||
crystallite_partionedF, &
|
||||
crystallite_partionedFp0, &
|
||||
crystallite_partionedLp0, &
|
||||
crystallite_partionedFi0, &
|
||||
crystallite_partionedLi0, &
|
||||
crystallite_partionedS0, &
|
||||
crystallite_dt, &
|
||||
crystallite_requested, &
|
||||
crystallite_stress, &
|
||||
crystallite_stressTangent, &
|
||||
crystallite_orientations
|
||||
#ifdef DEBUG
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_homogenization, &
|
||||
debug_levelBasic, &
|
||||
debug_levelExtensive, &
|
||||
debug_levelSelective, &
|
||||
debug_e, &
|
||||
debug_i
|
||||
#endif
|
||||
|
||||
real(pReal), intent(in) :: dt !< time increment
|
||||
logical, intent(in) :: updateJaco !< initiating Jacobian update
|
||||
|
|
@ -640,14 +588,6 @@ end subroutine materialpoint_stressAndItsTangent
|
|||
!> @brief parallelized calculation of result array at material points
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine materialpoint_postResults
|
||||
use FEsolving, only: &
|
||||
FEsolving_execElem, &
|
||||
FEsolving_execIP
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use crystallite, only: &
|
||||
crystallite_sizePostResults, &
|
||||
crystallite_postResults
|
||||
|
||||
integer :: &
|
||||
thePos, &
|
||||
|
|
@ -697,12 +637,6 @@ end subroutine materialpoint_postResults
|
|||
!> @brief partition material point def grad onto constituents
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine partitionDeformation(ip,el)
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use crystallite, only: &
|
||||
crystallite_partionedF
|
||||
use homogenization_mech_RGC, only: &
|
||||
homogenization_RGC_partitionDeformation
|
||||
|
||||
integer, intent(in) :: &
|
||||
ip, & !< integration point
|
||||
|
|
@ -719,7 +653,7 @@ subroutine partitionDeformation(ip,el)
|
|||
materialpoint_subF(1:3,1:3,ip,el))
|
||||
|
||||
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
||||
call homogenization_RGC_partitionDeformation(&
|
||||
call mech_RGC_partitionDeformation(&
|
||||
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||
materialpoint_subF(1:3,1:3,ip,el),&
|
||||
ip, &
|
||||
|
|
@ -734,15 +668,6 @@ end subroutine partitionDeformation
|
|||
!> "happy" with result
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function updateState(ip,el)
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use crystallite, only: &
|
||||
crystallite_P, &
|
||||
crystallite_dPdF, &
|
||||
crystallite_partionedF,&
|
||||
crystallite_partionedF0
|
||||
use homogenization_mech_RGC, only: &
|
||||
homogenization_RGC_updateState
|
||||
use thermal_adiabatic, only: &
|
||||
thermal_adiabatic_updateState
|
||||
use damage_local, only: &
|
||||
|
|
@ -758,14 +683,14 @@ function updateState(ip,el)
|
|||
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
||||
updateState = &
|
||||
updateState .and. &
|
||||
homogenization_RGC_updateState(crystallite_P(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||
crystallite_partionedF0(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el),&
|
||||
materialpoint_subF(1:3,1:3,ip,el),&
|
||||
materialpoint_subdt(ip,el), &
|
||||
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||
ip, &
|
||||
el)
|
||||
mech_RGC_updateState(crystallite_P(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||
crystallite_partionedF(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||
crystallite_partionedF0(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el),&
|
||||
materialpoint_subF(1:3,1:3,ip,el),&
|
||||
materialpoint_subdt(ip,el), &
|
||||
crystallite_dPdF(1:3,1:3,1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||
ip, &
|
||||
el)
|
||||
end select chosenHomogenization
|
||||
|
||||
chosenThermal: select case (thermal_type(mesh_element(3,el)))
|
||||
|
|
@ -793,12 +718,6 @@ end function updateState
|
|||
!> @brief derive average stress and stiffness from constituent quantities
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine averageStressAndItsTangent(ip,el)
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use crystallite, only: &
|
||||
crystallite_P,crystallite_dPdF
|
||||
use homogenization_mech_RGC, only: &
|
||||
homogenization_RGC_averageStressAndItsTangent
|
||||
|
||||
integer, intent(in) :: &
|
||||
ip, & !< integration point
|
||||
|
|
@ -818,7 +737,7 @@ subroutine averageStressAndItsTangent(ip,el)
|
|||
homogenization_typeInstance(mesh_element(3,el)))
|
||||
|
||||
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
||||
call homogenization_RGC_averageStressAndItsTangent(&
|
||||
call mech_RGC_averageStressAndItsTangent(&
|
||||
materialpoint_P(1:3,1:3,ip,el), &
|
||||
materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,el),&
|
||||
crystallite_P(1:3,1:3,1:homogenization_Ngrains(mesh_element(3,el)),ip,el), &
|
||||
|
|
@ -834,10 +753,6 @@ end subroutine averageStressAndItsTangent
|
|||
!> if homogenization_sizePostResults(i,e) > 0 !!
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function postResults(ip,el)
|
||||
use mesh, only: &
|
||||
mesh_element
|
||||
use homogenization_mech_RGC, only: &
|
||||
homogenization_RGC_postResults
|
||||
use thermal_adiabatic, only: &
|
||||
thermal_adiabatic_postResults
|
||||
use thermal_conduction, only: &
|
||||
|
|
@ -856,23 +771,12 @@ function postResults(ip,el)
|
|||
postResults
|
||||
integer :: &
|
||||
startPos, endPos ,&
|
||||
of, instance, homog
|
||||
homog
|
||||
|
||||
|
||||
postResults = 0.0_pReal
|
||||
startPos = 1
|
||||
endPos = homogState(material_homogenizationAt(el))%sizePostResults
|
||||
chosenHomogenization: select case (homogenization_type(mesh_element(3,el)))
|
||||
|
||||
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
|
||||
instance = homogenization_typeInstance(material_homogenizationAt(el))
|
||||
of = mappingHomogenization(1,ip,el)
|
||||
postResults(startPos:endPos) = homogenization_RGC_postResults(instance,of)
|
||||
|
||||
end select chosenHomogenization
|
||||
|
||||
startPos = endPos + 1
|
||||
endPos = endPos + thermalState(material_homogenizationAt(el))%sizePostResults
|
||||
endPos = thermalState(material_homogenizationAt(el))%sizePostResults
|
||||
chosenThermal: select case (thermal_type(mesh_element(3,el)))
|
||||
|
||||
case (THERMAL_adiabatic_ID) chosenThermal
|
||||
|
|
@ -905,14 +809,9 @@ end function postResults
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine homogenization_results
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
use results
|
||||
use homogenization_mech_RGC
|
||||
use HDF5_utilities
|
||||
use config, only: &
|
||||
config_name_homogenization => homogenization_name ! anticipate logical name
|
||||
|
||||
use material, only: &
|
||||
homogenization_typeInstance, &
|
||||
material_homogenization_type => homogenization_type
|
||||
|
||||
integer :: p
|
||||
|
|
|
|||
|
|
@ -6,16 +6,7 @@
|
|||
!> @brief Relaxed grain cluster (RGC) homogenization scheme
|
||||
!> Nconstituents is defined as p x q x r (cluster)
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module homogenization_mech_RGC
|
||||
use prec
|
||||
use material
|
||||
|
||||
implicit none
|
||||
private
|
||||
integer, dimension(:,:), allocatable,target, public :: &
|
||||
homogenization_RGC_sizePostResult
|
||||
character(len=64), dimension(:,:), allocatable,target, public :: &
|
||||
homogenization_RGC_output ! name of each post result output
|
||||
submodule(homogenization) homogenization_mech_RGC
|
||||
|
||||
enum, bind(c)
|
||||
enumerator :: &
|
||||
|
|
@ -28,7 +19,7 @@ module homogenization_mech_RGC
|
|||
magnitudemismatch_ID
|
||||
end enum
|
||||
|
||||
type, private :: tParameters
|
||||
type :: tParameters
|
||||
integer, dimension(:), allocatable :: &
|
||||
Nconstituents
|
||||
real(pReal) :: &
|
||||
|
|
@ -39,11 +30,11 @@ module homogenization_mech_RGC
|
|||
angles
|
||||
integer :: &
|
||||
of_debug = 0
|
||||
integer(kind(undefined_ID)), dimension(:), allocatable :: &
|
||||
integer(kind(undefined_ID)), dimension(:), allocatable :: &
|
||||
outputID
|
||||
end type tParameters
|
||||
|
||||
type, private :: tRGCstate
|
||||
type :: tRGCstate
|
||||
real(pReal), pointer, dimension(:) :: &
|
||||
work, &
|
||||
penaltyEnergy
|
||||
|
|
@ -51,7 +42,7 @@ module homogenization_mech_RGC
|
|||
relaxationVector
|
||||
end type tRGCstate
|
||||
|
||||
type, private :: tRGCdependentState
|
||||
type :: tRGCdependentState
|
||||
real(pReal), allocatable, dimension(:) :: &
|
||||
volumeDiscrepancy, &
|
||||
relaxationRate_avg, &
|
||||
|
|
@ -62,56 +53,25 @@ module homogenization_mech_RGC
|
|||
orientation
|
||||
end type tRGCdependentState
|
||||
|
||||
type(tparameters), dimension(:), allocatable, private :: &
|
||||
type(tparameters), dimension(:), allocatable :: &
|
||||
param
|
||||
type(tRGCstate), dimension(:), allocatable, private :: &
|
||||
type(tRGCstate), dimension(:), allocatable :: &
|
||||
state, &
|
||||
state0
|
||||
type(tRGCdependentState), dimension(:), allocatable, private :: &
|
||||
type(tRGCdependentState), dimension(:), allocatable :: &
|
||||
dependentState
|
||||
|
||||
public :: &
|
||||
homogenization_RGC_init, &
|
||||
homogenization_RGC_partitionDeformation, &
|
||||
homogenization_RGC_averageStressAndItsTangent, &
|
||||
homogenization_RGC_updateState, &
|
||||
homogenization_RGC_postResults, &
|
||||
mech_RGC_results ! name suited for planned submodule situation
|
||||
private :: &
|
||||
relaxationVector, &
|
||||
interfaceNormal, &
|
||||
getInterface, &
|
||||
grain1to3, &
|
||||
grain3to1, &
|
||||
interface4to1, &
|
||||
interface1to4
|
||||
|
||||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief allocates all necessary fields, reads information from material configuration file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine homogenization_RGC_init()
|
||||
use debug, only: &
|
||||
#ifdef DEBUG
|
||||
debug_i, &
|
||||
debug_e, &
|
||||
#endif
|
||||
debug_level, &
|
||||
debug_homogenization, &
|
||||
debug_levelBasic
|
||||
use math, only: &
|
||||
math_EulerToR, &
|
||||
INRAD
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use config, only: &
|
||||
config_homogenization
|
||||
module subroutine mech_RGC_init
|
||||
|
||||
integer :: &
|
||||
Ninstance, &
|
||||
h, i, &
|
||||
NofMyHomog, outputSize, &
|
||||
NofMyHomog, &
|
||||
sizeState, nIntFaceTot
|
||||
|
||||
character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::]
|
||||
|
|
@ -139,9 +99,6 @@ subroutine homogenization_RGC_init()
|
|||
allocate(state0(Ninstance))
|
||||
allocate(dependentState(Ninstance))
|
||||
|
||||
allocate(homogenization_RGC_sizePostResult(maxval(homogenization_Noutput),Ninstance),source=0)
|
||||
allocate(homogenization_RGC_output(maxval(homogenization_Noutput),Ninstance))
|
||||
homogenization_RGC_output=''
|
||||
|
||||
do h = 1, size(homogenization_type)
|
||||
if (homogenization_type(h) /= HOMOGENIZATION_RGC_ID) cycle
|
||||
|
|
@ -176,28 +133,20 @@ subroutine homogenization_RGC_init()
|
|||
|
||||
case('constitutivework')
|
||||
outputID = constitutivework_ID
|
||||
outputSize = 1
|
||||
case('penaltyenergy')
|
||||
outputID = penaltyenergy_ID
|
||||
outputSize = 1
|
||||
case('volumediscrepancy')
|
||||
outputID = volumediscrepancy_ID
|
||||
outputSize = 1
|
||||
case('averagerelaxrate')
|
||||
outputID = averagerelaxrate_ID
|
||||
outputSize = 1
|
||||
case('maximumrelaxrate')
|
||||
outputID = maximumrelaxrate_ID
|
||||
outputSize = 1
|
||||
case('magnitudemismatch')
|
||||
outputID = magnitudemismatch_ID
|
||||
outputSize = 3
|
||||
|
||||
end select
|
||||
|
||||
if (outputID /= undefined_ID) then
|
||||
homogenization_RGC_output(i,homogenization_typeInstance(h)) = outputs(i)
|
||||
homogenization_RGC_sizePostResult(i,homogenization_typeInstance(h)) = outputSize
|
||||
prm%outputID = [prm%outputID , outputID]
|
||||
endif
|
||||
|
||||
|
|
@ -211,7 +160,7 @@ subroutine homogenization_RGC_init()
|
|||
+ size(['avg constitutive work ','average penalty energy'])
|
||||
|
||||
homogState(h)%sizeState = sizeState
|
||||
homogState(h)%sizePostResults = sum(homogenization_RGC_sizePostResult(:,homogenization_typeInstance(h)))
|
||||
homogState(h)%sizePostResults = 0
|
||||
allocate(homogState(h)%state0 (sizeState,NofMyHomog), source=0.0_pReal)
|
||||
allocate(homogState(h)%subState0(sizeState,NofMyHomog), source=0.0_pReal)
|
||||
allocate(homogState(h)%state (sizeState,NofMyHomog), source=0.0_pReal)
|
||||
|
|
@ -235,23 +184,17 @@ subroutine homogenization_RGC_init()
|
|||
|
||||
enddo
|
||||
|
||||
end subroutine homogenization_RGC_init
|
||||
end subroutine mech_RGC_init
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief partitions the deformation gradient onto the constituents
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine homogenization_RGC_partitionDeformation(F,avgF,instance,of)
|
||||
#ifdef DEBUG
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_homogenization, &
|
||||
debug_levelExtensive
|
||||
#endif
|
||||
module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
|
||||
|
||||
real(pReal), dimension (:,:,:), intent(out) :: F !< partioned F per grain
|
||||
|
||||
real(pReal), dimension (:,:), intent(in) :: avgF !< averaged F
|
||||
real(pReal), dimension (3,3), intent(in) :: avgF !< averaged F
|
||||
integer, intent(in) :: &
|
||||
instance, &
|
||||
of
|
||||
|
|
@ -291,45 +234,14 @@ subroutine homogenization_RGC_partitionDeformation(F,avgF,instance,of)
|
|||
|
||||
end associate
|
||||
|
||||
end subroutine homogenization_RGC_partitionDeformation
|
||||
end subroutine mech_RGC_partitionDeformation
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief update the internal state of the homogenization scheme and tell whether "done" and
|
||||
! "happy" with result
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
||||
#ifdef DEBUG
|
||||
use debug, only: &
|
||||
debug_level, &
|
||||
debug_homogenization,&
|
||||
debug_levelExtensive
|
||||
#endif
|
||||
use math, only: &
|
||||
math_invert2
|
||||
use numerics, only: &
|
||||
absTol_RGC, &
|
||||
relTol_RGC, &
|
||||
absMax_RGC, &
|
||||
relMax_RGC, &
|
||||
pPert_RGC, &
|
||||
maxdRelax_RGC, &
|
||||
viscPower_RGC, &
|
||||
viscModus_RGC, &
|
||||
refRelaxRate_RGC
|
||||
|
||||
real(pReal), dimension(:,:,:), intent(in) :: &
|
||||
P,& !< array of P
|
||||
F,& !< array of F
|
||||
F0 !< array of initial F
|
||||
real(pReal), dimension(:,:,:,:,:), intent(in) :: dPdF !< array of current grain stiffness
|
||||
real(pReal), dimension(3,3), intent(in) :: avgF !< average F
|
||||
real(pReal), intent(in) :: dt !< time increment
|
||||
integer, intent(in) :: &
|
||||
ip, & !< integration point number
|
||||
el !< element number
|
||||
|
||||
logical, dimension(2) :: homogenization_RGC_updateState
|
||||
module procedure mech_RGC_updateState
|
||||
|
||||
integer, dimension(4) :: intFaceN,intFaceP,faceID
|
||||
integer, dimension(3) :: nGDim,iGr3N,iGr3P
|
||||
|
|
@ -347,7 +259,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
|||
#endif
|
||||
|
||||
zeroTimeStep: if(dEq0(dt)) then
|
||||
homogenization_RGC_updateState = .true. ! pretend everything is fine and return
|
||||
mech_RGC_updateState = .true. ! pretend everything is fine and return
|
||||
return
|
||||
endif zeroTimeStep
|
||||
|
||||
|
|
@ -466,12 +378,12 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
|||
endif
|
||||
#endif
|
||||
|
||||
homogenization_RGC_updateState = .false.
|
||||
mech_RGC_updateState = .false.
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! If convergence reached => done and happy
|
||||
if (residMax < relTol_RGC*stresMax .or. residMax < absTol_RGC) then
|
||||
homogenization_RGC_updateState = .true.
|
||||
mech_RGC_updateState = .true.
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
|
||||
.and. prm%of_debug == of) write(6,'(1x,a55,/)')'... done and happy'
|
||||
|
|
@ -513,7 +425,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! if residual blows-up => done but unhappy
|
||||
elseif (residMax > relMax_RGC*stresMax .or. residMax > absMax_RGC) then ! try to restart when residual blows up exceeding maximum bound
|
||||
homogenization_RGC_updateState = [.true.,.false.] ! with direct cut-back
|
||||
mech_RGC_updateState = [.true.,.false.] ! with direct cut-back
|
||||
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
|
||||
|
|
@ -656,9 +568,10 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! ... of the numerical viscosity traction "rmatrix"
|
||||
allocate(rmatrix(3*nIntFaceTot,3*nIntFaceTot),source=0.0_pReal)
|
||||
forall (i=1:3*nIntFaceTot) &
|
||||
do i=1,3*nIntFaceTot
|
||||
rmatrix(i,i) = viscModus_RGC*viscPower_RGC/(refRelaxRate_RGC*dt)* & ! tangent due to numerical viscosity traction appears
|
||||
(abs(drelax(i))/(refRelaxRate_RGC*dt))**(viscPower_RGC - 1.0_pReal) ! only in the main diagonal term
|
||||
enddo
|
||||
|
||||
#ifdef DEBUG
|
||||
if (iand(debug_level(debug_homogenization), debug_levelExtensive) /= 0) then
|
||||
|
|
@ -710,7 +623,7 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
|||
enddo; enddo
|
||||
stt%relaxationVector(:,of) = relax + drelax ! Updateing the state variable for the next iteration
|
||||
if (any(abs(drelax) > maxdRelax_RGC)) then ! Forcing cutback when the incremental change of relaxation vector becomes too large
|
||||
homogenization_RGC_updateState = [.true.,.false.]
|
||||
mech_RGC_updateState = [.true.,.false.]
|
||||
!$OMP CRITICAL (write2out)
|
||||
write(6,'(1x,a,1x,i3,1x,a,1x,i3,1x,a)')'RGC_updateState: ip',ip,'| el',el,'enforces cutback'
|
||||
write(6,'(1x,a,1x,e15.8)')'due to large relaxation change =',maxval(abs(drelax))
|
||||
|
|
@ -736,10 +649,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
|||
!> @brief calculate stress-like penalty due to deformation mismatch
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine stressPenalty(rPen,nMis,avgF,fDef,ip,el,instance,of)
|
||||
use math, only: &
|
||||
math_civita
|
||||
use numerics, only: &
|
||||
xSmoo_RGC
|
||||
|
||||
real(pReal), dimension (:,:,:), intent(out) :: rPen !< stress-like penalty
|
||||
real(pReal), dimension (:,:), intent(out) :: nMis !< total amount of mismatch
|
||||
|
|
@ -852,13 +761,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
|||
!> @brief calculate stress-like penalty due to volume discrepancy
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine volumePenalty(vPen,vDiscrep,fAvg,fDef,nGrain,instance,of)
|
||||
use math, only: &
|
||||
math_det33, &
|
||||
math_inv33
|
||||
use numerics, only: &
|
||||
maxVolDiscr_RGC,&
|
||||
volDiscrMod_RGC,&
|
||||
volDiscrPow_RGC
|
||||
|
||||
real(pReal), dimension (:,:,:), intent(out) :: vPen ! stress-like penalty due to volume
|
||||
real(pReal), intent(out) :: vDiscrep ! total volume discrepancy
|
||||
|
|
@ -907,8 +809,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
|||
! deformation
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function surfaceCorrection(avgF,instance,of)
|
||||
use math, only: &
|
||||
math_invert33
|
||||
|
||||
real(pReal), dimension(3) :: surfaceCorrection
|
||||
|
||||
|
|
@ -940,8 +840,6 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
|||
!> @brief compute the equivalent shear and bulk moduli from the elasticity tensor
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
function equivalentModuli(grainID,ip,el)
|
||||
use constitutive, only: &
|
||||
constitutive_homogenizedC
|
||||
|
||||
real(pReal), dimension(2) :: equivalentModuli
|
||||
|
||||
|
|
@ -1012,13 +910,13 @@ function homogenization_RGC_updateState(P,F,F0,avgF,dt,dPdF,ip,el)
|
|||
|
||||
end subroutine grainDeformation
|
||||
|
||||
end function homogenization_RGC_updateState
|
||||
end procedure mech_RGC_updateState
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief derive average stress and stiffness from constituent quantities
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine homogenization_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
|
||||
module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
|
||||
|
||||
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
|
||||
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
|
||||
|
|
@ -1030,68 +928,19 @@ subroutine homogenization_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,
|
|||
avgP = sum(P,3) /real(product(param(instance)%Nconstituents),pReal)
|
||||
dAvgPdAvgF = sum(dPdF,5)/real(product(param(instance)%Nconstituents),pReal)
|
||||
|
||||
end subroutine homogenization_RGC_averageStressAndItsTangent
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return array of homogenization results for post file inclusion
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function homogenization_RGC_postResults(instance,of) result(postResults)
|
||||
|
||||
integer, intent(in) :: &
|
||||
instance, &
|
||||
of
|
||||
|
||||
integer :: &
|
||||
o,c
|
||||
real(pReal), dimension(sum(homogenization_RGC_sizePostResult(:,instance))) :: &
|
||||
postResults
|
||||
|
||||
associate(stt => state(instance), dst => dependentState(instance), prm => param(instance))
|
||||
|
||||
c = 0
|
||||
|
||||
outputsLoop: do o = 1,size(prm%outputID)
|
||||
select case(prm%outputID(o))
|
||||
|
||||
case (constitutivework_ID)
|
||||
postResults(c+1) = stt%work(of)
|
||||
c = c + 1
|
||||
case (magnitudemismatch_ID)
|
||||
postResults(c+1:c+3) = dst%mismatch(1:3,of)
|
||||
c = c + 3
|
||||
case (penaltyenergy_ID)
|
||||
postResults(c+1) = stt%penaltyEnergy(of)
|
||||
c = c + 1
|
||||
case (volumediscrepancy_ID)
|
||||
postResults(c+1) = dst%volumeDiscrepancy(of)
|
||||
c = c + 1
|
||||
case (averagerelaxrate_ID)
|
||||
postResults(c+1) = dst%relaxationrate_avg(of)
|
||||
c = c + 1
|
||||
case (maximumrelaxrate_ID)
|
||||
postResults(c+1) = dst%relaxationrate_max(of)
|
||||
c = c + 1
|
||||
end select
|
||||
|
||||
enddo outputsLoop
|
||||
|
||||
end associate
|
||||
|
||||
end function homogenization_RGC_postResults
|
||||
end subroutine mech_RGC_averageStressAndItsTangent
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief writes results to HDF5 output file
|
||||
! ToDo: check wheter units are correct
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine mech_RGC_results(instance,group)
|
||||
module subroutine mech_RGC_results(instance,group)
|
||||
#if defined(PETSc) || defined(DAMASK_HDF5)
|
||||
use results, only: &
|
||||
results_writeDataset
|
||||
|
||||
integer, intent(in) :: instance
|
||||
character(len=*) :: group
|
||||
integer, intent(in) :: instance
|
||||
character(len=*), intent(in) :: group
|
||||
|
||||
integer :: o
|
||||
|
||||
associate(stt => state(instance), dst => dependentState(instance), prm => param(instance))
|
||||
|
|
@ -1122,8 +971,8 @@ subroutine mech_RGC_results(instance,group)
|
|||
end associate
|
||||
|
||||
#else
|
||||
integer, intent(in) :: instance
|
||||
character(len=*) :: group
|
||||
integer, intent(in) :: instance
|
||||
character(len=*), intent(in) :: group
|
||||
#endif
|
||||
|
||||
end subroutine mech_RGC_results
|
||||
|
|
@ -1262,7 +1111,7 @@ integer pure function interface4to1(iFace4D, nGDim)
|
|||
else
|
||||
interface4to1 = iFace4D(4) + nGDim(3)*(iFace4D(2)-1) &
|
||||
+ nGDim(3)*nGDim(1)*(iFace4D(3)-1) &
|
||||
+ (nGDim(1)-1)*nGDim(2)*nGDim(3) ! total number of interfaces normal //e1
|
||||
+ (nGDim(1)-1)*nGDim(2)*nGDim(3) ! total # of interfaces normal || e1
|
||||
endif
|
||||
|
||||
case(3)
|
||||
|
|
@ -1271,8 +1120,8 @@ integer pure function interface4to1(iFace4D, nGDim)
|
|||
else
|
||||
interface4to1 = iFace4D(2) + nGDim(1)*(iFace4D(3)-1) &
|
||||
+ nGDim(1)*nGDim(2)*(iFace4D(4)-1) &
|
||||
+ (nGDim(1)-1)*nGDim(2)*nGDim(3) & ! total number of interfaces normal //e1
|
||||
+ nGDim(1)*(nGDim(2)-1)*nGDim(3) ! total number of interfaces normal //e2
|
||||
+ (nGDim(1)-1)*nGDim(2)*nGDim(3) & ! total # of interfaces normal || e1
|
||||
+ nGDim(1)*(nGDim(2)-1)*nGDim(3) ! total # of interfaces normal || e2
|
||||
endif
|
||||
|
||||
case default
|
||||
|
|
@ -1296,23 +1145,23 @@ pure function interface1to4(iFace1D, nGDim)
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! compute the total number of interfaces, which ...
|
||||
nIntFace = [(nGDim(1)-1)*nGDim(2)*nGDim(3), & ! ... normal //e1
|
||||
nGDim(1)*(nGDim(2)-1)*nGDim(3), & ! ... normal //e2
|
||||
nGDim(1)*nGDim(2)*(nGDim(3)-1)] ! ... normal //e3
|
||||
nIntFace = [(nGDim(1)-1)*nGDim(2)*nGDim(3), & ! ... normal || e1
|
||||
nGDim(1)*(nGDim(2)-1)*nGDim(3), & ! ... normal || e2
|
||||
nGDim(1)*nGDim(2)*(nGDim(3)-1)] ! ... normal || e3
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! get the corresponding interface ID in 4D (normal and local position)
|
||||
if (iFace1D > 0 .and. iFace1D <= nIntFace(1)) then ! interface with normal //e1
|
||||
if (iFace1D > 0 .and. iFace1D <= nIntFace(1)) then ! interface with normal || e1
|
||||
interface1to4(1) = 1
|
||||
interface1to4(3) = mod((iFace1D-1),nGDim(2))+1
|
||||
interface1to4(4) = mod(int(real(iFace1D-1,pReal)/real(nGDim(2),pReal)),nGDim(3))+1
|
||||
interface1to4(2) = int(real(iFace1D-1,pReal)/real(nGDim(2),pReal)/real(nGDim(3),pReal))+1
|
||||
elseif (iFace1D > nIntFace(1) .and. iFace1D <= (nIntFace(2) + nIntFace(1))) then ! interface with normal //e2
|
||||
elseif (iFace1D > nIntFace(1) .and. iFace1D <= (nIntFace(2) + nIntFace(1))) then ! interface with normal || e2
|
||||
interface1to4(1) = 2
|
||||
interface1to4(4) = mod((iFace1D-nIntFace(1)-1),nGDim(3))+1
|
||||
interface1to4(2) = mod(int(real(iFace1D-nIntFace(1)-1,pReal)/real(nGDim(3),pReal)),nGDim(1))+1
|
||||
interface1to4(3) = int(real(iFace1D-nIntFace(1)-1,pReal)/real(nGDim(3),pReal)/real(nGDim(1),pReal))+1
|
||||
elseif (iFace1D > nIntFace(2) + nIntFace(1) .and. iFace1D <= (nIntFace(3) + nIntFace(2) + nIntFace(1))) then ! interface with normal //e3
|
||||
elseif (iFace1D > nIntFace(2) + nIntFace(1) .and. iFace1D <= (nIntFace(3) + nIntFace(2) + nIntFace(1))) then ! interface with normal || e3
|
||||
interface1to4(1) = 3
|
||||
interface1to4(2) = mod((iFace1D-nIntFace(2)-nIntFace(1)-1),nGDim(1))+1
|
||||
interface1to4(3) = mod(int(real(iFace1D-nIntFace(2)-nIntFace(1)-1,pReal)/real(nGDim(1),pReal)),nGDim(2))+1
|
||||
|
|
@ -1322,4 +1171,4 @@ pure function interface1to4(iFace1D, nGDim)
|
|||
end function interface1to4
|
||||
|
||||
|
||||
end module homogenization_mech_RGC
|
||||
end submodule homogenization_mech_RGC
|
||||
|
|
|
|||
|
|
@ -6,8 +6,6 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
submodule(homogenization) homogenization_mech_isostrain
|
||||
|
||||
implicit none
|
||||
|
||||
enum, bind(c)
|
||||
enumerator :: &
|
||||
parallel_ID, &
|
||||
|
|
@ -30,14 +28,6 @@ contains
|
|||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine mech_isostrain_init
|
||||
use debug, only: &
|
||||
debug_HOMOGENIZATION, &
|
||||
debug_level, &
|
||||
debug_levelBasic
|
||||
use IO, only: &
|
||||
IO_error
|
||||
use config, only: &
|
||||
config_homogenization
|
||||
|
||||
integer :: &
|
||||
Ninstance, &
|
||||
|
|
|
|||
|
|
@ -6,20 +6,12 @@
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
submodule(homogenization) homogenization_mech_none
|
||||
|
||||
implicit none
|
||||
|
||||
contains
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module subroutine mech_none_init
|
||||
use debug, only: &
|
||||
debug_HOMOGENIZATION, &
|
||||
debug_level, &
|
||||
debug_levelBasic
|
||||
use config, only: &
|
||||
config_homogenization
|
||||
|
||||
integer :: &
|
||||
Ninstance, &
|
||||
|
|
@ -27,7 +19,7 @@ module subroutine mech_none_init
|
|||
NofMyHomog
|
||||
|
||||
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_NONE_label//' init -+>>>'
|
||||
|
||||
|
||||
Ninstance = count(homogenization_type == HOMOGENIZATION_NONE_ID)
|
||||
if (iand(debug_level(debug_HOMOGENIZATION),debug_levelBasic) /= 0) &
|
||||
write(6,'(a16,1x,i5,/)') '# instances:',Ninstance
|
||||
|
|
|
|||
|
|
@ -1067,8 +1067,8 @@ subroutine plastic_dislotwin_results(instance,group)
|
|||
case (rho_dip_ID)
|
||||
call results_writeDataset(group,stt%rho_dip,'rho_dip',&
|
||||
'dislocation dipole density''1/m²')
|
||||
case (dot_gamma_sl_ID)
|
||||
call results_writeDataset(group,stt%gamma_sl,'dot_gamma_sl',&
|
||||
case (gamma_sl_ID)
|
||||
call results_writeDataset(group,stt%gamma_sl,'gamma_sl',&
|
||||
'plastic shear','1')
|
||||
case (Lambda_sl_ID)
|
||||
call results_writeDataset(group,dst%Lambda_sl,'Lambda_sl',&
|
||||
|
|
|
|||
|
|
@ -299,18 +299,26 @@ end subroutine results_writeVectorDataset_real
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine results_writeTensorDataset_real(group,dataset,label,description,SIunit)
|
||||
|
||||
character(len=*), intent(in) :: label,group,description
|
||||
character(len=*), intent(in), optional :: SIunit
|
||||
real(pReal), intent(inout), dimension(:,:,:) :: dataset
|
||||
character(len=*), intent(in) :: label,group,description
|
||||
character(len=*), intent(in), optional :: SIunit
|
||||
real(pReal), intent(in), dimension(:,:,:) :: dataset
|
||||
|
||||
integer :: i
|
||||
integer(HID_T) :: groupHandle
|
||||
|
||||
real(pReal), dimension(:,:,:), allocatable :: dataset_transposed
|
||||
|
||||
|
||||
allocate(dataset_transposed,mold=dataset)
|
||||
do i=1,size(dataset,3)
|
||||
dataset_transposed(1:3,1:3,i) = transpose(dataset(1:3,1:3,i))
|
||||
enddo
|
||||
|
||||
groupHandle = results_openGroup(group)
|
||||
|
||||
#ifdef PETSc
|
||||
call HDF5_write(groupHandle,dataset,label,.true.)
|
||||
call HDF5_write(groupHandle,dataset_transposed,label,.true.)
|
||||
#else
|
||||
call HDF5_write(groupHandle,dataset,label,.false.)
|
||||
call HDF5_write(groupHandle,dataset_transposed,label,.false.)
|
||||
#endif
|
||||
|
||||
if (HDF5_objectExists(groupHandle,label)) &
|
||||
|
|
|
|||
Loading…
Reference in New Issue