cleaning up example files

PRIVATE

@@ -1 +1 @@
-Subproject commit 79929319c0756bdff58dd69cf4969774a880c1bf
+Subproject commit c6536a004dcd9bd883e1dbd38a3a1265b0eda53d

examples/config/Kinematics_Thermal_Expansion.config

@@ -1,2 +0,0 @@
-(kinematics) thermal_expansion
-thermal_expansion11         0.0000231

examples/config/Phase_Phenopowerlaw_Aluminum.yaml

@@ -1,16 +0,0 @@
-Aluminum:
-  lattice: cF
-  mechanical:
-    output: [F, P, F_e, F_p, L_p, O]
-    elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: Hooke}
-    plastic:
-      N_sl: [12]
-      a_sl: 2.25
-      dot_gamma_0_sl: 0.001
-      h_0_sl-sl: 75e6
-      h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
-      n_sl: 20
-      output: [xi_sl, gamma_sl]
-      type: phenopowerlaw
-      xi_0_sl: [31e6]
-      xi_inf_sl: [63e6]

examples/config/phase/mechanical/plastic/HosfordEtAl1960_Fig5_001.txt

@@ -0,0 +1,22 @@
+epsilon sigma
+0.0 0.0
+0.0031774515415435856 1.3241572946800098
+0.007632690314496565 1.8769627028448532
+0.012710579645127867 2.398519561282736
+0.01965255325402597 2.7954689602895897
+0.02846634593072725 3.1295345203656986
+0.03852543972278516 3.4011029809878863
+0.05046408737218261 3.671511223179614
+0.062387265442507306 3.8184722243707725
+0.0730612750027072 3.9970685147657115
+0.08749052488281794 4.142482558049593
+0.10065900406849931 4.226946459786829
+0.11382748325418066 4.311410361524061
+0.12824899834475503 4.395100784307658
+0.14705227170768684 4.4452222205033785
+0.16774283371749454 4.555907058768929
+0.1834173847129619 4.638824002598888
+0.19846541775598284 4.722127685905665
+0.21288693284655721 4.805818108689262
+0.23107142304657893 4.918049904862087
+0.24674984143681447 5.031828658942189

examples/config/phase/mechanical/plastic/HosfordEtAl1960_Fig5_111.txt

@@ -0,0 +1,21 @@
+epsilon sigma
+0.0 0.0
+0.0014874000278452676 2.8375462153674764
+0.004705072474977964 3.514572343486533
+0.008549262874557206 4.191211732128767
+0.013023838621351133 4.898326191544326
+0.016871896415698542 5.605827390436705
+0.022599508067385504 6.312168370898625
+0.028327119719072452 7.018509351360548
+0.036556935785777275 7.692441563665051
+0.0454171371996968 8.396848846742879
+0.0555187723342048 9.00789722011664
+0.06562040746871278 9.6189455934904
+0.07697894590288198 10.260082298160665
+0.08831814736321025 10.746909951580216
+0.09964187924446577 11.110290363999194
+0.112849032377829 11.503372368237859
+0.12291199356465513 11.805802639110189
+0.13548489395603547 12.137547762325386
+0.1461666383057717 12.37786767322061
+0.15810141856040097 12.617414105162197

examples/config/phase/mechanical/plastic/Takeuchi1975_Fig3b_001.txt

@@ -0,0 +1,20 @@
+epsilon sigma
+0.0 0.0
+0.7843137254901968 12.379237409249356
+1.5686274509803937 24.900436365022188
+2.1568627450980387 35.38463004249314
+2.9411764705882355 46.15655786123972
+3.5294117647058805 55.766115970197575
+4.313725490196077 66.8295889784485
+5.196078431372548 77.30806608357625
+5.980392156862745 86.03917757579222
+6.862745098039216 94.47683835438937
+8.235294117647054 105.23733302844946
+9.411764705882355 113.6692772347034
+10.686274509803923 121.22468034832983
+12.352941176470587 127.89782579698544
+14.215686274509803 134.2756150079079
+16.176470588235293 140.65149869471597
+18.235294117647054 145.2762057203834
+20.392156862745093 148.4412812744145
+22.843137254901958 150.72600468758932

examples/config/phase/mechanical/plastic/Takeuchi1975_Fig3b_111.txt

@@ -0,0 +1,22 @@
+epsilon sigma
+0.0 0.0
+0.39215686274509665 11.803769126698228
+0.6862745098039191 24.33449570304316
+1.2745098039215677 38.02568646506222
+1.6666666666666679 50.262962327788216
+2.0588235294117645 62.50023819051427
+2.5490196078431353 77.35951523466525
+3.0392156862745097 91.92724708931189
+3.6274509803921546 109.11698012538346
+4.313725490196077 128.34562396387125
+5 144.65881590731527
+5.882352941176471 160.09356123401741
+6.666666666666664 174.94712170582517
+7.6470588235294095 191.8376874559347
+8.627450980392155 208.14516282703556
+9.6078431372549 222.70336706111016
+10.784313725490193 236.0915794889384
+12.549019607843139 251.21762990910648
+14.803921568627448 265.4595171401894
+16.862745098039216 276.498218334953
+20.098039215686274 284.01551096629123

examples/config/phase/mechanical/plastic/phenopowerlaw_Al.py

@@ -0,0 +1,68 @@
+#!/usr/bin/env python3
+
+from pathlib import Path
+import os
+
+import numpy as np
+from scipy import interpolate
+from matplotlib import pyplot as plt
+
+import damask
+
+
+# material.yaml
+example_dir = Path.home()/'DAMASK/examples/config/phase'
+
+phase = damask.ConfigMaterial.load(example_dir/'Al.yaml')
+phase['mechanical'] = {'output': ['F','P']}
+phase['mechanical']['elastic'] = damask.ConfigMaterial.load(example_dir/'mechanical/elastic/Hooke_Al.yaml')
+phase['mechanical']['plastic'] = damask.ConfigMaterial.load(example_dir/'mechanical/plastic/phenopowerlaw_Al.yaml')
+
+mat = damask.ConfigMaterial()
+mat['phase']['Al'] = phase
+mat['homogenization']['SX'] = {'N_constituents': 1,'mechanical': {'type': 'pass'}}
+
+# load
+load = damask.Config()
+load['solver'] = {'mechanical': 'spectral_basic'}
+load['loadstep'] = [{'boundary_conditions': {'mechanical': {'dot_F': [[4.5e-3,'x','x'],[0,'x','x'],[0,0,'x']],
+                                                            'P': [['x',0,0],['x',0,0],['x','x',0]]}},
+                           'discretization': {'t': 65, 'N': 100}}]
+
+# grid
+grid = damask.Grid(np.zeros([2,2,2],int),np.ones(3)*1e-5)
+
+# crystallographic directions
+samples = {'001':[[0,0,1],[0,1,0]],'111':[[1,1,1],[0,1,-1]]}
+
+# reference results
+reference = {}
+for label,directions in samples.items():
+    ref_data = damask.Table.load('HosfordEtAl1960_Fig5_'+label+'.txt')
+    reference[label] = [ref_data.get('epsilon')[:,0],ref_data.get('sigma')[:,0]*6894.76e3] # kpsi to Pa
+
+results = {}
+for label,directions in samples.items():
+    
+    os.makedirs(label, exist_ok=True)
+
+    grid.save('/'.join([label,'2x2x2.vti']))
+    load.save('/'.join([label,'tensionX.yaml']))
+
+    ori = damask.Orientation.from_directions(directions[0],directions[1],lattice='cF')
+    mat_c = mat.material_add(O=ori,phase='Al',homogenization='SX')
+    mat_c.save('/'.join([label,'material.yaml']))
+    
+    damask.util.execute(f'DAMASK_grid -l tensionX.yaml -g 2x2x2.vti --wd {label}')
+    
+    r = damask.Result('/'.join([label,'2x2x2_tensionX.hdf5']))
+    r.add_strain()
+    r.add_stress_Cauchy()
+    results[label] = [np.array([np.average(epsilon[:,0,0]) for epsilon in r.get('epsilon_V^0.0(F)').values()]),
+                      np.array([np.average(sigma[:,0,0]) for sigma in r.get('sigma').values()])]
+
+
+    color = 'tab:blue' if label == '111' else 'tab:orange'
+    plt.plot(results[label][0],results[label][1],label=label+'_sim',color=color,linestyle=':')
+    plt.plot(reference[label][0],reference[label][1],label=label+'_exp',color=color,linestyle='-')
+    plt.savefig('HosfordEtAl1960_Fig5.pdf')

examples/config/phase/mechanical/plastic/phenopowerlaw_Al.yaml

@@ -0,0 +1,15 @@
+type: phenopowerlaw
+references:
+  - W.F. Hosford et al.,
+    Acta Metallurgica, 8(3), 187-199, 1960,
+    10.1016/0001-6160(60)90127-9,
+    fitted from Fig. 5
+output: [xi_sl, gamma_sl]
+N_sl: [12]
+h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
+n_sl: 20
+a_sl: 3.1
+h_0_sl-sl: 1.7e8
+xi_0_sl: [5.0e6]
+xi_inf_sl: [37.5e6]
+dot_gamma_0_sl: 4.5e-3

examples/config/phase/mechanical/plastic/phenopowerlaw_Cu.py

@@ -0,0 +1,65 @@
+#!/usr/bin/env python3
+
+from pathlib import Path
+import os
+
+import numpy as np
+from scipy import interpolate
+from matplotlib import pyplot as plt
+
+import damask
+
+
+# material.yaml
+example_dir = Path.home()/'DAMASK/examples/config/phase'
+
+phase = damask.ConfigMaterial.load(example_dir/'Cu.yaml')
+phase['mechanical'] = {'output': ['F','P']}
+phase['mechanical']['elastic'] = damask.ConfigMaterial.load(example_dir/'mechanical/elastic/Hooke_Cu.yaml')
+phase['mechanical']['plastic'] = damask.ConfigMaterial.load(example_dir/'mechanical/plastic/phenopowerlaw_Cu.yaml')
+
+mat = damask.ConfigMaterial()
+mat['phase']['Cu'] = phase
+mat['homogenization']['SX'] = {'N_constituents': 1,'mechanical': {'type': 'pass'}}
+
+# load
+load = damask.Config()
+load['solver'] = {'mechanical': 'spectral_basic'}
+load['loadstep'] = [{'boundary_conditions': {'mechanical': {'dot_F': [[3e-3,'x','x'],[0,'x','x'],[0,0,'x']],
+                                                            'P': [['x',0,0],['x',0,0],['x','x',0]]}},
+                           'discretization': {'t': 100, 'N': 100}}]
+
+# grid
+grid = damask.Grid(np.zeros([2,2,2],int),np.ones(3)*1e-5)
+
+
+# crystallographic directions
+samples = {'001':[[0,0,1],[0,1,0]],'111':[[1,1,1],[0,1,-1]]}
+
+# reference results
+reference = {}
+for label,directions in samples.items():
+    ref_data = damask.Table.load('Takeuchi1975_Fig3b_'+label+'.txt')
+    reference[label] = [ref_data.get('epsilon')[:,0]*.01,ref_data.get('sigma')[:,0]*1e6]
+
+results = {}
+for label,directions in samples.items():
+    os.makedirs(label, exist_ok=True)
+    
+    grid.save('/'.join([label,'2x2x2.vti']))
+    load.save('/'.join([label,'tensionX.yaml']))
+    
+    ori = damask.Orientation.from_directions(directions[0],directions[1],lattice='cF')
+    mat_c = mat.material_add(O=ori,phase='Cu',homogenization='SX')
+    mat_c.save('/'.join([label,'material.yaml']))
+    
+    damask.util.execute(f'DAMASK_grid -l tensionX.yaml -g 2x2x2.vti --wd {label}')
+    
+    r = damask.Result('/'.join([label,'2x2x2_tensionX.hdf5']))
+    results[label] = [np.array([np.average(F[:,0,0]-1) for F in r.get('F').values()]),
+                      np.array([np.average(P[:,0,0]) for P in r.get('P').values()])]
+
+    color = 'tab:blue' if label == '111' else 'tab:orange'
+    plt.plot(results[label][0],results[label][1],label=label+'_sim',color=color,linestyle=':')
+    plt.plot(reference[label][0],reference[label][1],label=label+'_exp',color=color,linestyle='-')
+    plt.savefig('Takeuchi1975_Fig3b.pdf')

examples/config/phase/mechanical/plastic/phenopowerlaw_Cu.yaml

@@ -0,0 +1,15 @@
+type: phenopowerlaw
+references:
+  - T Takeuchi,
+    Transactions of the Japan Institute of Metals 16(10), 629-640, 1975,
+    10.2320/matertrans1960.16.629,
+    fitted from Fig. 3b
+output: [xi_sl, gamma_sl]
+N_sl: [12]
+h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4]
+n_sl: 20
+a_sl: 1.0
+h_0_sl-sl: 2.4e8
+xi_0_sl: [1.5e6]
+xi_inf_sl: [112.5e6]
+dot_gamma_0_sl: 3e-3