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Merge branch 'Fortran-cleaning' into 'development' 

Clarifying structure

See merge request damask/DAMASK!368
This commit is contained in:
Sharan Roongta 2021-04-13 11:08:18 +00:00
parent 90e33b14bf 887524bcc1
commit 1be1a72a09
28 changed files with 905 additions and 1054 deletions
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2
PRIVATE

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Subproject commit 1298124143e7e2901d0b9c2e79ab6388cb78a1e3 Subproject commit 1490f97417664d6ae11d7ceafb6b98c9cc2dade1

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examples/.gitignore vendored
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*.xdmf *.xdmf
*.sta *.sta
*.vt* *.vt*
*.out
*.sts
*.t16

429
examples/Marc/material.config
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#-------------------#
<homogenization>
#-------------------#
{../ConfigFiles/Homogenization_None_Dummy.config}
#-------------------#
<microstructure>
#-------------------#
[Grain001]
(constituent) phase 1 texture 1 fraction 1.0
[Grain002]
(constituent) phase 1 texture 2 fraction 1.0
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[cubeGrain]
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#-------------------#
<texture>
#-------------------#
[Grain001]
(gauss) phi1 359.121452 Phi 82.319471 Phi2 347.729535
[Grain002]
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[Grain004]
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[Grain005]
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[Grain006]
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[Grain007]
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[Grain008]
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[Grain009]
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[Grain010]
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[Grain011]
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[Grain012]
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[Grain013]
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[Grain014]
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[Grain015]
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[Grain016]
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[Grain017]
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[Grain018]
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[Grain019]
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[Grain020]
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[Grain021]
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[Grain030]
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[Grain040]
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[Grain042]
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[Grain043]
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[Grain045]
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(gauss) phi1 247.810321 Phi 112.752980 Phi2 264.668469
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(gauss) phi1 270.780630 Phi 102.037858 Phi2 31.602610
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[Grain094]
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(gauss) phi1 157.869381 Phi 79.905131 Phi2 107.037081
[Grain096]
(gauss) phi1 106.163846 Phi 148.477084 Phi2 350.980466
[Grain097]
(gauss) phi1 262.138550 Phi 58.923588 Phi2 111.303439
[Grain098]
(gauss) phi1 88.739397 Phi 119.092789 Phi2 222.502594
[Grain099]
(gauss) phi1 337.603765 Phi 10.145102 Phi2 80.934916
[Grain100]
(gauss) phi1 341.022242 Phi 45.927285 Phi2 252.045476
[cube]
(gauss) phi1 0 Phi 0 phi2 0
#-------------------#
<phase>
#-------------------#
{../ConfigFiles/Phase_Phenopowerlaw_Aluminum.config}
{../ConfigFiles/Phase_Isotropic_AluminumIsotropic.config}

31
examples/Marc/material.yaml Normal file
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@ -0,0 +1,31 @@
---
homogenization:
SX:
N_constituents: 1
mechanical: {type: pass}
phase:
Aluminum:
lattice: cF
mechanical:
output: [F, P, F_e, F_p, L_p, O]
elastic: {type: Hooke, C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9}
plastic:
type: phenopowerlaw
N_sl: [12]
a_sl: 2.25
atol_xi: 1.0
dot_gamma_0_sl: 0.001
h_0_sl_sl: 75e6
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
n_sl: 20
output: [xi_sl]
xi_0_sl: [31e6]
xi_inf_sl: [63e6]
material:
- homogenization: SX
constituents:
- phase: Aluminum
v: 1.0
O: [0.9330127018922194, 0.25, 0.06698729810778066, 0.25]

BIN
examples/Marc/rotation.mud
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406
examples/Marc/sheet_r-value.dat Normal file
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title r-value
$....MARC input file produced by Marc Mentat 2019 (64bit)
$...................................
$....input file using extended precision
extended
$...................................
sizing 0 80 165 0
alloc 25
elements 7
version 14 1 0 1
table 0 0 2 1 1 0 0 1
processor 1 1 1 0
$no list
large stra 2 1 0 0 0 0 0
all points
no echo 1 2 3 4
state vars 3
end
$...................
solver
8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
optimize 11
connectivity
0 0 1 0 1 1 0 0 0
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coordinates
3 165 0 1
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17-3.200000000000000+1-1.000000000000000+1 0.000000000000000+0
18-3.200000000000000+1-1.000000000000000+1 5.000000000000000-1
19-3.200000000000000+1-5.000000000000000+0-5.000000000000000-1
20-3.200000000000000+1-5.000000000000000+0 0.000000000000000+0
21-3.200000000000000+1-5.000000000000000+0 5.000000000000000-1
22-3.200000000000000+1 0.000000000000000+0-5.000000000000000-1
23-3.200000000000000+1 0.000000000000000+0 0.000000000000000+0
24-3.200000000000000+1 0.000000000000000+0 5.000000000000000-1
25-3.200000000000000+1 5.000000000000000+0-5.000000000000000-1
26-3.200000000000000+1 5.000000000000000+0 0.000000000000000+0
27-3.200000000000000+1 5.000000000000000+0 5.000000000000000-1
28-3.200000000000000+1 1.000000000000000+1-5.000000000000000-1
29-3.200000000000000+1 1.000000000000000+1 0.000000000000000+0
30-3.200000000000000+1 1.000000000000000+1 5.000000000000000-1
31-2.400000000000001+1-1.000000000000000+1-5.000000000000000-1
32-2.400000000000001+1-1.000000000000000+1 0.000000000000000+0
33-2.400000000000001+1-1.000000000000000+1 5.000000000000000-1
34-2.400000000000000+1-5.000000000000000+0-5.000000000000000-1
35-2.400000000000000+1-5.000000000000000+0 0.000000000000000+0
36-2.400000000000000+1-5.000000000000000+0 5.000000000000000-1
37-2.400000000000001+1 0.000000000000000+0-5.000000000000000-1
38-2.400000000000001+1 0.000000000000000+0 0.000000000000000+0
39-2.400000000000001+1 0.000000000000000+0 5.000000000000000-1
40-2.400000000000001+1 5.000000000000002+0-5.000000000000000-1
41-2.400000000000001+1 5.000000000000002+0 0.000000000000000+0
42-2.400000000000001+1 5.000000000000002+0 5.000000000000000-1
43-2.400000000000001+1 9.999999999999996+0-5.000000000000000-1
44-2.400000000000001+1 9.999999999999996+0 0.000000000000000+0
45-2.400000000000001+1 9.999999999999996+0 5.000000000000000-1
46-1.600000000000000+1-1.000000000000000+1-5.000000000000000-1
47-1.600000000000000+1-1.000000000000000+1 0.000000000000000+0
48-1.600000000000000+1-1.000000000000000+1 5.000000000000000-1
49-1.600000000000000+1-5.000000000000000+0-5.000000000000000-1
50-1.600000000000000+1-5.000000000000000+0 0.000000000000000+0
51-1.600000000000000+1-5.000000000000000+0 5.000000000000000-1
52-1.600000000000000+1 0.000000000000000+0-5.000000000000000-1
53-1.600000000000000+1 0.000000000000000+0 0.000000000000000+0
54-1.600000000000000+1 0.000000000000000+0 5.000000000000000-1
55-1.600000000000000+1 4.999999999999998+0-5.000000000000000-1
56-1.600000000000000+1 4.999999999999998+0 0.000000000000000+0
57-1.600000000000000+1 4.999999999999998+0 5.000000000000000-1
58-1.600000000000000+1 9.999999999999996+0-5.000000000000000-1
59-1.600000000000000+1 9.999999999999996+0 0.000000000000000+0
60-1.600000000000000+1 9.999999999999996+0 5.000000000000000-1
61-8.000000000000000+0-1.000000000000000+1-5.000000000000000-1
62-8.000000000000000+0-1.000000000000000+1 0.000000000000000+0
63-8.000000000000000+0-1.000000000000000+1 5.000000000000000-1
64-7.999999999999994+0-5.000000000000000+0-5.000000000000000-1
65-7.999999999999994+0-5.000000000000000+0 0.000000000000000+0
66-7.999999999999994+0-5.000000000000000+0 5.000000000000000-1
67-8.000000000000000+0 0.000000000000000+0-5.000000000000000-1
68-8.000000000000000+0 0.000000000000000+0 0.000000000000000+0
69-8.000000000000000+0 0.000000000000000+0 5.000000000000000-1
70-8.000000000000000+0 5.000000000000000+0-5.000000000000000-1
71-8.000000000000000+0 5.000000000000000+0 0.000000000000000+0
72-8.000000000000000+0 5.000000000000000+0 5.000000000000000-1
73-8.000000000000000+0 9.999999999999996+0-5.000000000000000-1
74-8.000000000000000+0 9.999999999999996+0 0.000000000000000+0
75-8.000000000000000+0 9.999999999999996+0 5.000000000000000-1
76 0.000000000000000+0-1.000000000000000+1-5.000000000000000-1
77 0.000000000000000+0-1.000000000000000+1 0.000000000000000+0
78 0.000000000000000+0-1.000000000000000+1 5.000000000000000-1
79 0.000000000000000+0-5.000000000000000+0-5.000000000000000-1
80 0.000000000000000+0-5.000000000000000+0 0.000000000000000+0
81 0.000000000000000+0-5.000000000000000+0 5.000000000000000-1
82 0.000000000000000+0 0.000000000000000+0-5.000000000000000-1
83 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0
84 0.000000000000000+0 0.000000000000000+0 5.000000000000000-1
85 0.000000000000000+0 5.000000000000000+0-5.000000000000000-1
86 0.000000000000000+0 5.000000000000000+0 0.000000000000000+0
87 0.000000000000000+0 5.000000000000000+0 5.000000000000000-1
88 0.000000000000000+0 9.999999999999996+0-5.000000000000000-1
89 0.000000000000000+0 9.999999999999996+0 0.000000000000000+0
90 0.000000000000000+0 9.999999999999996+0 5.000000000000000-1
91 8.000000000000000+0-1.000000000000000+1-5.000000000000000-1
92 8.000000000000000+0-1.000000000000000+1 0.000000000000000+0
93 8.000000000000000+0-1.000000000000000+1 5.000000000000000-1
94 8.000000000000000+0-5.000000000000000+0-5.000000000000000-1
95 8.000000000000000+0-5.000000000000000+0 0.000000000000000+0
96 8.000000000000000+0-5.000000000000000+0 5.000000000000000-1
97 8.000000000000000+0 0.000000000000000+0-5.000000000000000-1
98 8.000000000000000+0 0.000000000000000+0 0.000000000000000+0
99 8.000000000000000+0 0.000000000000000+0 5.000000000000000-1
100 8.000000000000000+0 5.000000000000000+0-5.000000000000000-1
101 8.000000000000000+0 5.000000000000000+0 0.000000000000000+0
102 8.000000000000000+0 5.000000000000000+0 5.000000000000000-1
103 7.999999999999994+0 9.999999999999996+0-5.000000000000000-1
104 7.999999999999994+0 9.999999999999996+0 0.000000000000000+0
105 7.999999999999994+0 9.999999999999996+0 5.000000000000000-1
106 1.600000000000000+1-1.000000000000000+1-5.000000000000000-1
107 1.600000000000000+1-1.000000000000000+1 0.000000000000000+0
108 1.600000000000000+1-1.000000000000000+1 5.000000000000000-1
109 1.600000000000000+1-5.000000000000000+0-5.000000000000000-1
110 1.600000000000000+1-5.000000000000000+0 0.000000000000000+0
111 1.600000000000000+1-5.000000000000000+0 5.000000000000000-1
112 1.600000000000000+1 0.000000000000000+0-5.000000000000000-1
113 1.600000000000000+1 0.000000000000000+0 0.000000000000000+0
114 1.600000000000000+1 0.000000000000000+0 5.000000000000000-1
115 1.600000000000000+1 5.000000000000000+0-5.000000000000000-1
116 1.600000000000000+1 5.000000000000000+0 0.000000000000000+0
117 1.600000000000000+1 5.000000000000000+0 5.000000000000000-1
118 1.600000000000000+1 9.999999999999996+0-5.000000000000000-1
119 1.600000000000000+1 9.999999999999996+0 0.000000000000000+0
120 1.600000000000000+1 9.999999999999996+0 5.000000000000000-1
121 2.400000000000000+1-1.000000000000000+1-5.000000000000000-1
122 2.400000000000000+1-1.000000000000000+1 0.000000000000000+0
123 2.400000000000000+1-1.000000000000000+1 5.000000000000000-1
124 2.400000000000001+1-5.000000000000000+0-5.000000000000000-1
125 2.400000000000001+1-5.000000000000000+0 0.000000000000000+0
126 2.400000000000001+1-5.000000000000000+0 5.000000000000000-1
127 2.400000000000000+1 0.000000000000000+0-5.000000000000000-1
128 2.400000000000000+1 0.000000000000000+0 0.000000000000000+0
129 2.400000000000000+1 0.000000000000000+0 5.000000000000000-1
130 2.400000000000001+1 5.000000000000000+0-5.000000000000000-1
131 2.400000000000001+1 5.000000000000000+0 0.000000000000000+0
132 2.400000000000001+1 5.000000000000000+0 5.000000000000000-1
133 2.400000000000000+1 9.999999999999996+0-5.000000000000000-1
134 2.400000000000000+1 9.999999999999996+0 0.000000000000000+0
135 2.400000000000000+1 9.999999999999996+0 5.000000000000000-1
136 3.200000000000000+1-1.000000000000000+1-5.000000000000000-1
137 3.200000000000000+1-1.000000000000000+1 0.000000000000000+0
138 3.200000000000000+1-1.000000000000000+1 5.000000000000000-1
139 3.199999999999999+1-5.000000000000000+0-5.000000000000000-1
140 3.199999999999999+1-5.000000000000000+0 0.000000000000000+0
141 3.199999999999999+1-5.000000000000000+0 5.000000000000000-1
142 3.200000000000000+1 0.000000000000000+0-5.000000000000000-1
143 3.200000000000000+1 0.000000000000000+0 0.000000000000000+0
144 3.200000000000000+1 0.000000000000000+0 5.000000000000000-1
145 3.200000000000000+1 5.000000000000000+0-5.000000000000000-1
146 3.200000000000000+1 5.000000000000000+0 0.000000000000000+0
147 3.200000000000000+1 5.000000000000000+0 5.000000000000000-1
148 3.199999999999999+1 9.999999999999996+0-5.000000000000000-1
149 3.199999999999999+1 9.999999999999996+0 0.000000000000000+0
150 3.199999999999999+1 9.999999999999996+0 5.000000000000000-1
151 3.999999999999999+1-1.000000000000000+1-5.000000000000000-1
152 3.999999999999999+1-1.000000000000000+1 0.000000000000000+0
153 3.999999999999999+1-1.000000000000000+1 5.000000000000000-1
154 3.999999999999999+1-5.000000000000000+0-5.000000000000000-1
155 3.999999999999999+1-5.000000000000000+0 0.000000000000000+0
156 3.999999999999999+1-5.000000000000000+0 5.000000000000000-1
157 3.999999999999999+1 0.000000000000000+0-5.000000000000000-1
158 3.999999999999999+1 0.000000000000000+0 0.000000000000000+0
159 3.999999999999999+1 0.000000000000000+0 5.000000000000000-1
160 3.999999999999999+1 5.000000000000000+0-5.000000000000000-1
161 3.999999999999999+1 5.000000000000000+0 0.000000000000000+0
162 3.999999999999999+1 5.000000000000000+0 5.000000000000000-1
163 3.999999999999999+1 9.999999999999996+0-5.000000000000000-1
164 3.999999999999999+1 9.999999999999996+0 0.000000000000000+0
165 3.999999999999999+1 9.999999999999996+0 5.000000000000000-1
define element set Material_Nummer_elements
1 to 80
define node set unten_y_nodes
2 5 8 11 14
define node set oben_y_nodes
152 155 158 161 164
define node set unten_fest_nodes
1 to 15
define node set oben_ziehen_nodes
151 to 165
define node set unten_z_nodes
7 to 9
define node set oben_z_nodes
157 to 159
define element set texture_elements
1 to 80
hypoelastic
1 0 1 0 1TKS 0
1.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0
0 0 0 0 0 0 0
mat color
1 1 230 0 0
table weg_x
1 1 0 0 2
1 2 2 0 0 2 0 0 2 0 0 2
0.000000000000000+0 0.000000000000000+0
2.000000000000000+2 1.600000000000000+1
geometry
0 0 2
1 9 1 230 0 0
r-value-sample
0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0
usdata 1
fixed disp
1 0 0 0 1 0unten_z
0.000000000000000+0 0.000000000000000+0
0 0
1 2
2
unten_z_nodes
1 0 0 0 1 0unten_y
0.000000000000000+0 0.000000000000000+0
0 0
1 3
2
unten_y_nodes
1 0 0 0 1 0oben_z
1.000000000000000+0 0.000000000000000+0
1 0
1 2
2
oben_z_nodes
1 0 0 0 1 0oben_y
1.000000000000000+0 0.000000000000000+0
1 0
1 3
2
oben_y_nodes
1 0 0 0 1 0unten_fest
0.000000000000000+0
0
1
2
unten_fest_nodes
1 0 0 0 1 0oben_ziehen
1.000000000000000+0
1
1
2
oben_ziehen_nodes
initial state
2 6 1 0 0 0Material_Nummer
1.000000000000000+0
0
1
Material_Nummer_elements
initial state
3 6 1 0 0 0texture
1.000000000000000+0
0
1
texture_elements
loadcase r-value
5
Material_Nummer
texture
unten_z
unten_y
unten_fest
no print
post
6 16 17 0 0 19 20 0 1 0 0 0 0 0 0 0
parameters
1.000000000000000+0 1.000000000000000+9 1.000000000000000+2 1.000000000000000+6 2.500000000000000-1 5.000000000000000-1 1.500000000000000+0-5.000000000000000-1
8.625000000000000+0 2.000000000000000+1 1.000000000000000-4 1.000000000000000-6 1.000000000000000+0 1.000000000000000-4
8.314000000000000+0 2.731500000000000+2 5.000000000000000-1 0.000000000000000+0 5.670510000000000-8 1.438769000000000-2 2.997900000000000+8 1.00000000000000+30
0.000000000000000+0 0.000000000000000+0 1.000000000000000+2 0.000000000000000+0 1.000000000000000+0-2.000000000000000+0 1.000000000000000+6 3.000000000000000+0
0.000000000000000+0 0.000000000000000+0 1.256637061000000-6 8.85418781700000-12 1.200000000000000+2 1.000000000000000-3 1.600000000000000+2 0.000000000000000+0
3.000000000000000+0 4.000000000000000-1
end option
$...................
$....start of loadcase Tensile
title Tensile
loadcase Tensile
6
unten_z
unten_y
oben_z
oben_y
unten_fest
oben_ziehen
control
99999 10 0 0 0 1 0 0 1 0 0 0 0 0 0
1.000000000000000-1 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0-1.000000000000000+0 0.000000000000000+0
parameters
1.000000000000000+0 1.000000000000000+9 1.000000000000000+2 1.000000000000000+6 2.500000000000000-1 5.000000000000000-1 1.500000000000000+0-5.000000000000000-1
8.625000000000000+0 2.000000000000000+1 1.000000000000000-4 1.000000000000000-6 1.000000000000000+0 1.000000000000000-4
8.314000000000000+0 2.731500000000000+2 5.000000000000000-1 0.000000000000000+0 5.670510000000000-8 1.438769000000000-2 2.997900000000000+8 1.00000000000000+30
0.000000000000000+0 0.000000000000000+0 1.000000000000000+2 0.000000000000000+0 1.000000000000000+0-1.000000000000000+0 1.000000000000000+6 3.000000000000000+0
0.000000000000000+0 0.000000000000000+0 1.256637061000000-6 8.85418781700000-12 1.200000000000000+2 1.000000000000000-3 1.600000000000000+2 0.000000000000000+0
3.000000000000000+0 4.000000000000000-1
auto load
100 0 10 0 0
time step
2.000000000000000+0
continue
$....end of loadcase Tensile
$...................

31
python/damask/solver/_marc.py
View File

@ -1,7 +1,6 @@
import subprocess import subprocess
import shlex import shlex
import re import re
import io
import os import os
from pathlib import Path from pathlib import Path
@ -41,13 +40,9 @@ class Marc:
return path_tools return path_tools
def submit_job(self, def submit_job(self, model, job,
model,
job = 'job1',
logfile = False,
compile = False, compile = False,
optimization = '', optimization = ''):
):
usersub = Path(os.environ['DAMASK_ROOT'])/'src/DAMASK_Marc' usersub = Path(os.environ['DAMASK_ROOT'])/'src/DAMASK_Marc'
usersub = usersub.parent/(usersub.name + ('.f90' if compile else '.marc')) usersub = usersub.parent/(usersub.name + ('.f90' if compile else '.marc'))
@ -64,22 +59,16 @@ class Marc:
' -prog ' + str(usersub.with_suffix('')) ' -prog ' + str(usersub.with_suffix(''))
print(cmd) print(cmd)
if logfile is not None: ret = subprocess.run(shlex.split(cmd),capture_output=True)
try:
f = open(logfile,'w+',newline='\n')
except TypeError:
f = logfile
else:
f = io.StringIO()
proc = subprocess.Popen(shlex.split(cmd),stdout=f,stderr=subprocess.STDOUT)
proc.wait()
f.seek(0)
try: try:
v = int(re.search('Exit number ([0-9]+)',''.join(f.readlines())).group(1)) v = int(re.search('Exit number ([0-9]+)',ret.stderr.decode()).group(1))
if 3004 != v:
print(ret.stderr.decode())
print(ret.stdout.decode())
raise RuntimeError(f'Marc simulation failed ({v})')
except (AttributeError,ValueError): except (AttributeError,ValueError):
print(ret.stderr.decode())
print(ret.stdout.decode())
raise RuntimeError('Marc simulation failed (unknown return value)') raise RuntimeError('Marc simulation failed (unknown return value)')
if v != 3004:
raise RuntimeError(f'Marc simulation failed ({v})')

21
src/CPFEM.f90
View File

@ -150,15 +150,14 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
H H
integer(pInt) elCP, & ! crystal plasticity element number integer(pInt) elCP, & ! crystal plasticity element number
i, j, k, l, m, n, ph, homog, mySource,ma i, j, k, l, m, n, ph, homog, mySource,ce
real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress if terminallyIll real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress if terminallyIll
ODD_JACOBIAN = 1e50_pReal !< return value for jacobian if terminallyIll ODD_JACOBIAN = 1e50_pReal !< return value for jacobian if terminallyIll
elCP = mesh_FEM2DAMASK_elem(elFE) elCP = discretization_Marc_FEM2DAMASK_elem(elFE)
ce = discretization_Marc_FEM2DAMASK_cell(ip,elFE)
ma = (elCP-1) * discretization_nIPs + ip
if (debugCPFEM%basic .and. elCP == debugCPFEM%element .and. ip == debugCPFEM%ip) then if (debugCPFEM%basic .and. elCP == debugCPFEM%element .and. ip == debugCPFEM%ip) then
print'(/,a)', '#############################################' print'(/,a)', '#############################################'
@ -183,8 +182,8 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
! temperature(material_homogenizationAt(elCP))%p(material_homogenizationMemberAt(ip,elCP)) = & ! temperature(material_homogenizationAt(elCP))%p(material_homogenizationMemberAt(ip,elCP)) = &
! temperature_inp ! temperature_inp
!end select chosenThermal1 !end select chosenThermal1
homogenization_F0(1:3,1:3,ma) = ffn homogenization_F0(1:3,1:3,ce) = ffn
homogenization_F(1:3,1:3,ma) = ffn1 homogenization_F(1:3,1:3,ce) = ffn1
if (iand(mode, CPFEM_CALCRESULTS) /= 0_pInt) then if (iand(mode, CPFEM_CALCRESULTS) /= 0_pInt) then
@ -209,17 +208,17 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS
else terminalIllness else terminalIllness
! translate from P to sigma ! translate from P to sigma
Kirchhoff = matmul(homogenization_P(1:3,1:3,ma), transpose(homogenization_F(1:3,1:3,ma))) Kirchhoff = matmul(homogenization_P(1:3,1:3,ce), transpose(homogenization_F(1:3,1:3,ce)))
J_inverse = 1.0_pReal / math_det33(homogenization_F(1:3,1:3,ma)) J_inverse = 1.0_pReal / math_det33(homogenization_F(1:3,1:3,ce))
CPFEM_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.) CPFEM_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.)
! translate from dP/dF to dCS/dE ! translate from dP/dF to dCS/dE
H = 0.0_pReal H = 0.0_pReal
do i=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3; do n=1,3 do i=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3; do n=1,3
H(i,j,k,l) = H(i,j,k,l) & H(i,j,k,l) = H(i,j,k,l) &
+ homogenization_F(j,m,ma) * homogenization_F(l,n,ma) & + homogenization_F(j,m,ce) * homogenization_F(l,n,ce) &
* homogenization_dPdF(i,m,k,n,ma) & * homogenization_dPdF(i,m,k,n,ce) &
- math_delta(j,l) * homogenization_F(i,m,ma) * homogenization_P(k,m,ma) & - math_delta(j,l) * homogenization_F(i,m,ce) * homogenization_P(k,m,ce) &
+ 0.5_pReal * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) & + 0.5_pReal * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) &
+ Kirchhoff(j,k)*math_delta(i,l) + Kirchhoff(i,l)*math_delta(j,k)) + Kirchhoff(j,k)*math_delta(i,l) + Kirchhoff(i,l)*math_delta(j,k))
enddo; enddo; enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo; enddo; enddo

15
src/DAMASK_Marc.f90
View File

@ -218,7 +218,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
logical :: cutBack logical :: cutBack
real(pReal), dimension(6) :: stress real(pReal), dimension(6) :: stress
real(pReal), dimension(6,6) :: ddsdde real(pReal), dimension(6,6) :: ddsdde
integer :: computationMode, i, cp_en, node, CPnodeID integer :: computationMode, i, node, CPnodeID
integer(pI32) :: defaultNumThreadsInt !< default value set by Marc integer(pI32) :: defaultNumThreadsInt !< default value set by Marc
integer(pInt), save :: & integer(pInt), save :: &
@ -266,7 +266,6 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
computationMode = CPFEM_RESTOREJACOBIAN computationMode = CPFEM_RESTOREJACOBIAN
elseif (lovl == 6) then ! stress requested by marc elseif (lovl == 6) then ! stress requested by marc
computationMode = CPFEM_CALCRESULTS computationMode = CPFEM_CALCRESULTS
cp_en = mesh_FEM2DAMASK_elem(m(1))
if (cptim > theTime .or. inc /= theInc) then ! reached "convergence" if (cptim > theTime .or. inc /= theInc) then ! reached "convergence"
terminallyIll = .false. terminallyIll = .false.
cycleCounter = -1 ! first calc step increments this to cycle = 0 cycleCounter = -1 ! first calc step increments this to cycle = 0
@ -344,8 +343,8 @@ subroutine flux(f,ts,n,time)
real(pReal), dimension(2), intent(out) :: & real(pReal), dimension(2), intent(out) :: &
f f
f(1) = homogenization_f_T(discretization_Marc_FEM2DAMASK_cell(n(3),n(1)))
f(2) = 0.0_pReal f(2) = 0.0_pReal
call thermal_conduction_getSource(f(1), n(3),mesh_FEM2DAMASK_elem(n(1)))
end subroutine flux end subroutine flux
@ -370,11 +369,11 @@ subroutine uedinc(inc,incsub)
if (inc > inc_written) then if (inc > inc_written) then
allocate(d_n(3,count(mesh_FEM2DAMASK_node /= -1))) allocate(d_n(3,count(discretization_Marc_FEM2DAMASK_node /= -1)))
do n = lbound(mesh_FEM2DAMASK_node,1), ubound(mesh_FEM2DAMASK_node,1) do n = lbound(discretization_Marc_FEM2DAMASK_node,1), ubound(discretization_Marc_FEM2DAMASK_node,1)
if (mesh_FEM2DAMASK_node(n) /= -1) then if (discretization_Marc_FEM2DAMASK_node(n) /= -1) then
call nodvar(1,n,d_n(1:3,mesh_FEM2DAMASK_node(n)),nqncomp,nqdatatype) call nodvar(1,n,d_n(1:3,discretization_Marc_FEM2DAMASK_node(n)),nqncomp,nqdatatype)
if(nqncomp == 2) d_n(3,mesh_FEM2DAMASK_node(n)) = 0.0_pReal if(nqncomp == 2) d_n(3,discretization_Marc_FEM2DAMASK_node(n)) = 0.0_pReal
endif endif
enddo enddo

50
src/Marc/discretization_Marc.f90
View File

@ -24,8 +24,8 @@ module discretization_marc
mesh_unitlength !< physical length of one unit in mesh MD: needs systematic_name mesh_unitlength !< physical length of one unit in mesh MD: needs systematic_name
integer, dimension(:), allocatable, public, protected :: & integer, dimension(:), allocatable, public, protected :: &
mesh_FEM2DAMASK_elem, & !< DAMASK element ID for Marc element ID MD: Needs systematic name discretization_Marc_FEM2DAMASK_elem, & !< DAMASK element ID for Marc element ID
mesh_FEM2DAMASK_node !< DAMASK node ID for Marc node ID MD: needs systematic_name discretization_Marc_FEM2DAMASK_node !< DAMASK node ID for Marc node ID
type tCellNodeDefinition type tCellNodeDefinition
@ -39,8 +39,9 @@ module discretization_marc
connectivity_cell !< cell connectivity for each element,ip/cell connectivity_cell !< cell connectivity for each element,ip/cell
public :: & public :: &
discretization_marc_init, & discretization_Marc_init, &
discretization_marc_UpdateNodeAndIpCoords discretization_Marc_updateNodeAndIpCoords, &
discretization_Marc_FEM2DAMASK_cell
contains contains
@ -48,7 +49,7 @@ contains
!> @brief initializes the mesh by calling all necessary private routines the mesh module !> @brief initializes the mesh by calling all necessary private routines the mesh module
!! Order and routines strongly depend on type of solver !! Order and routines strongly depend on type of solver
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine discretization_marc_init subroutine discretization_Marc_init
real(pReal), dimension(:,:), allocatable :: & real(pReal), dimension(:,:), allocatable :: &
node0_elem, & !< node x,y,z coordinates (initially!) node0_elem, & !< node x,y,z coordinates (initially!)
@ -114,25 +115,42 @@ subroutine discretization_marc_init
call geometry_plastic_nonlocal_setIPneighborhood(IPneighborhood(elem)) call geometry_plastic_nonlocal_setIPneighborhood(IPneighborhood(elem))
call geometry_plastic_nonlocal_results call geometry_plastic_nonlocal_results
end subroutine discretization_marc_init end subroutine discretization_Marc_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Calculate and set current nodal and IP positions (including cell nodes) !> @brief Calculate and set current nodal and IP positions (including cell nodes)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine discretization_marc_UpdateNodeAndIpCoords(d_n) subroutine discretization_Marc_updateNodeAndIpCoords(d_n)
real(pReal), dimension(:,:), intent(in) :: d_n real(pReal), dimension(:,:), intent(in) :: d_n
real(pReal), dimension(:,:), allocatable :: node_cell real(pReal), dimension(:,:), allocatable :: node_cell
node_cell = buildCellNodes(discretization_NodeCoords0(1:3,1:maxval(mesh_FEM2DAMASK_node)) + d_n) node_cell = buildCellNodes(discretization_NodeCoords0(1:3,1:maxval(discretization_Marc_FEM2DAMASK_node)) + d_n)
call discretization_setNodeCoords(node_cell) call discretization_setNodeCoords(node_cell)
call discretization_setIPcoords(buildIPcoordinates(node_cell)) call discretization_setIPcoords(buildIPcoordinates(node_cell))
end subroutine discretization_marc_UpdateNodeAndIpCoords end subroutine discretization_Marc_updateNodeAndIpCoords
!--------------------------------------------------------------------------------------------------
!> @brief Calculate and set current nodal and IP positions (including cell nodes)
!--------------------------------------------------------------------------------------------------
function discretization_marc_FEM2DAMASK_cell(IP_FEM,elem_FEM) result(cell)
integer, intent(in) :: IP_FEM, elem_FEM
integer :: cell
real(pReal), dimension(:,:), allocatable :: node_cell
cell = (discretization_Marc_FEM2DAMASK_elem(elem_FEM)-1)*discretization_nIPs + IP_FEM
end function discretization_marc_FEM2DAMASK_cell
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -219,10 +237,10 @@ subroutine inputRead(elem,node0_elem,connectivity_elem,materialAt)
call inputRead_elemType(elem, & call inputRead_elemType(elem, &
nElems,inputFile) nElems,inputFile)
call inputRead_mapElems(mesh_FEM2DAMASK_elem,& call inputRead_mapElems(discretization_Marc_FEM2DAMASK_elem,&
nElems,elem%nNodes,inputFile) nElems,elem%nNodes,inputFile)
call inputRead_mapNodes(mesh_FEM2DAMASK_node,& call inputRead_mapNodes(discretization_Marc_FEM2DAMASK_node,&
nNodes,inputFile) nNodes,inputFile)
call inputRead_elemNodes(node0_elem, & call inputRead_elemNodes(node0_elem, &
@ -532,7 +550,7 @@ subroutine inputRead_elemNodes(nodes, &
if(IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'coordinates') then if(IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'coordinates') then
chunkPos = [4,1,10,11,30,31,50,51,70] chunkPos = [4,1,10,11,30,31,50,51,70]
do i=1,nNode do i=1,nNode
m = mesh_FEM2DAMASK_node(IO_intValue(fileContent(l+1+i),chunkPos,1)) m = discretization_Marc_FEM2DAMASK_node(IO_intValue(fileContent(l+1+i),chunkPos,1))
do j = 1,3 do j = 1,3
nodes(j,m) = mesh_unitlength * IO_floatValue(fileContent(l+1+i),chunkPos,j+1) nodes(j,m) = mesh_unitlength * IO_floatValue(fileContent(l+1+i),chunkPos,j+1)
enddo enddo
@ -653,11 +671,11 @@ function inputRead_connectivityElem(nElem,nNodes,fileContent)
j = 0 j = 0
do i = 1,nElem do i = 1,nElem
chunkPos = IO_stringPos(fileContent(l+1+i+j)) chunkPos = IO_stringPos(fileContent(l+1+i+j))
e = mesh_FEM2DAMASK_elem(IO_intValue(fileContent(l+1+i+j),chunkPos,1)) e = discretization_Marc_FEM2DAMASK_elem(IO_intValue(fileContent(l+1+i+j),chunkPos,1))
if (e /= 0) then ! disregard non CP elems if (e /= 0) then ! disregard non CP elems
do k = 1,chunkPos(1)-2 do k = 1,chunkPos(1)-2
inputRead_connectivityElem(k,e) = & inputRead_connectivityElem(k,e) = &
mesh_FEM2DAMASK_node(IO_IntValue(fileContent(l+1+i+j),chunkPos,k+2)) discretization_Marc_FEM2DAMASK_node(IO_IntValue(fileContent(l+1+i+j),chunkPos,k+2))
enddo enddo
nNodesAlreadyRead = chunkPos(1) - 2 nNodesAlreadyRead = chunkPos(1) - 2
do while(nNodesAlreadyRead < nNodes) ! read on if not all nodes in one line do while(nNodesAlreadyRead < nNodes) ! read on if not all nodes in one line
@ -665,7 +683,7 @@ function inputRead_connectivityElem(nElem,nNodes,fileContent)
chunkPos = IO_stringPos(fileContent(l+1+i+j)) chunkPos = IO_stringPos(fileContent(l+1+i+j))
do k = 1,chunkPos(1) do k = 1,chunkPos(1)
inputRead_connectivityElem(nNodesAlreadyRead+k,e) = & inputRead_connectivityElem(nNodesAlreadyRead+k,e) = &
mesh_FEM2DAMASK_node(IO_IntValue(fileContent(l+1+i+j),chunkPos,k)) discretization_Marc_FEM2DAMASK_node(IO_IntValue(fileContent(l+1+i+j),chunkPos,k))
enddo enddo
nNodesAlreadyRead = nNodesAlreadyRead + chunkPos(1) nNodesAlreadyRead = nNodesAlreadyRead + chunkPos(1)
enddo enddo
@ -718,7 +736,7 @@ subroutine inputRead_material(materialAt,&
if (initialcondTableStyle == 2) m = m + 2 if (initialcondTableStyle == 2) m = m + 2
contInts = continuousIntValues(fileContent(l+k+m+1:),nElem,nameElemSet,mapElemSet,size(nameElemSet)) ! get affected elements contInts = continuousIntValues(fileContent(l+k+m+1:),nElem,nameElemSet,mapElemSet,size(nameElemSet)) ! get affected elements
do i = 1,contInts(1) do i = 1,contInts(1)
e = mesh_FEM2DAMASK_elem(contInts(1+i)) e = discretization_Marc_FEM2DAMASK_elem(contInts(1+i))
materialAt(e) = myVal materialAt(e) = myVal
enddo enddo
if (initialcondTableStyle == 0) m = m + 1 if (initialcondTableStyle == 0) m = m + 1

2
src/grid/discretization_grid.f90
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@ -74,8 +74,10 @@ subroutine discretization_grid_init(restart)
allocate(materialAt_global(0)) ! needed for IntelMPI allocate(materialAt_global(0)) ! needed for IntelMPI
endif endif
call MPI_Bcast(grid,3,MPI_INTEGER,0,PETSC_COMM_WORLD, ierr) call MPI_Bcast(grid,3,MPI_INTEGER,0,PETSC_COMM_WORLD, ierr)
if (ierr /= 0) error stop 'MPI error' if (ierr /= 0) error stop 'MPI error'
if (grid(1) < 2) call IO_error(844, ext_msg='cells(1) must be larger than 1')
call MPI_Bcast(geomSize,3,MPI_DOUBLE,0,PETSC_COMM_WORLD, ierr) call MPI_Bcast(geomSize,3,MPI_DOUBLE,0,PETSC_COMM_WORLD, ierr)
if (ierr /= 0) error stop 'MPI error' if (ierr /= 0) error stop 'MPI error'
call MPI_Bcast(origin,3,MPI_DOUBLE,0,PETSC_COMM_WORLD, ierr) call MPI_Bcast(origin,3,MPI_DOUBLE,0,PETSC_COMM_WORLD, ierr)

34
src/grid/grid_damage_spectral.f90
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@ -15,8 +15,8 @@ module grid_damage_spectral
use IO use IO
use spectral_utilities use spectral_utilities
use discretization_grid use discretization_grid
use YAML_types
use homogenization use homogenization
use YAML_types
use config use config
implicit none implicit none
@ -61,7 +61,7 @@ contains
!> @brief allocates all neccessary fields and fills them with data !> @brief allocates all neccessary fields and fills them with data
! ToDo: Restart not implemented ! ToDo: Restart not implemented
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_damage_spectral_init subroutine grid_damage_spectral_init()
PetscInt, dimension(0:worldsize-1) :: localK PetscInt, dimension(0:worldsize-1) :: localK
DM :: damage_grid DM :: damage_grid
@ -146,6 +146,7 @@ subroutine grid_damage_spectral_init
allocate(phi_current(grid(1),grid(2),grid3), source=1.0_pReal) allocate(phi_current(grid(1),grid(2),grid3), source=1.0_pReal)
allocate(phi_lastInc(grid(1),grid(2),grid3), source=1.0_pReal) allocate(phi_lastInc(grid(1),grid(2),grid3), source=1.0_pReal)
allocate(phi_stagInc(grid(1),grid(2),grid3), source=1.0_pReal) allocate(phi_stagInc(grid(1),grid(2),grid3), source=1.0_pReal)
call VecSet(solution_vec,1.0_pReal,ierr); CHKERRQ(ierr) call VecSet(solution_vec,1.0_pReal,ierr); CHKERRQ(ierr)
call updateReference call updateReference
@ -226,11 +227,11 @@ subroutine grid_damage_spectral_forward(cutBack)
phi_stagInc = phi_lastInc phi_stagInc = phi_lastInc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! reverting damage field state ! reverting damage field state
ce = 0
call SNESGetDM(damage_snes,dm_local,ierr); CHKERRQ(ierr) call SNESGetDM(damage_snes,dm_local,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
x_scal(xstart:xend,ystart:yend,zstart:zend) = phi_current x_scal(xstart:xend,ystart:yend,zstart:zend) = phi_current
call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)
ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1 ce = ce + 1
call homogenization_set_phi(phi_current(i,j,k),ce) call homogenization_set_phi(phi_current(i,j,k),ce)
@ -259,7 +260,6 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
integer :: i, j, k, ce integer :: i, j, k, ce
real(pReal) :: phiDot, mobility
phi_current = x_scal phi_current = x_scal
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -272,8 +272,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
ce = 0 ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1 ce = ce + 1
vectorField_real(1:3,i,j,k) = matmul(damage_nonlocal_getDiffusion(ce) - K_ref, & vectorField_real(1:3,i,j,k) = matmul(homogenization_K_phi(ce) - K_ref, vectorField_real(1:3,i,j,k))
vectorField_real(1:3,i,j,k))
enddo; enddo; enddo enddo; enddo; enddo
call utilities_FFTvectorForward call utilities_FFTvectorForward
call utilities_fourierVectorDivergence !< calculate damage divergence in fourier field call utilities_fourierVectorDivergence !< calculate damage divergence in fourier field
@ -281,10 +280,8 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
ce = 0 ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1 ce = ce + 1
call damage_nonlocal_getSourceAndItsTangent(phiDot, phi_current(i,j,k),ce) scalarField_real(i,j,k) = params%timeinc*(scalarField_real(i,j,k) + homogenization_f_phi(phi_current(i,j,k),ce)) &
mobility = damage_nonlocal_getMobility(ce) + homogenization_mu_phi(ce)*(phi_lastInc(i,j,k) - phi_current(i,j,k)) &
scalarField_real(i,j,k) = params%timeinc*(scalarField_real(i,j,k) + phiDot) &
+ mobility*(phi_lastInc(i,j,k) - phi_current(i,j,k)) &
+ mu_ref*phi_current(i,j,k) + mu_ref*phi_current(i,j,k)
enddo; enddo; enddo enddo; enddo; enddo
@ -293,6 +290,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
call utilities_FFTscalarForward call utilities_FFTscalarForward
call utilities_fourierGreenConvolution(K_ref, mu_ref, params%timeinc) call utilities_fourierGreenConvolution(K_ref, mu_ref, params%timeinc)
call utilities_FFTscalarBackward call utilities_FFTscalarBackward
where(scalarField_real(1:grid(1),1:grid(2),1:grid3) > phi_lastInc) & where(scalarField_real(1:grid(1),1:grid(2),1:grid3) > phi_lastInc) &
scalarField_real(1:grid(1),1:grid(2),1:grid3) = phi_lastInc scalarField_real(1:grid(1),1:grid(2),1:grid3) = phi_lastInc
where(scalarField_real(1:grid(1),1:grid(2),1:grid3) < num%residualStiffness) & where(scalarField_real(1:grid(1),1:grid(2),1:grid3) < num%residualStiffness) &
@ -308,18 +306,18 @@ end subroutine formResidual
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief update reference viscosity and conductivity !> @brief update reference viscosity and conductivity
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine updateReference subroutine updateReference()
integer :: ce,ierr
integer :: i,j,k,ce,ierr
ce = 0
K_ref = 0.0_pReal K_ref = 0.0_pReal
mu_ref = 0.0_pReal mu_ref = 0.0_pReal
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do ce = 1, product(grid(1:2))*grid3
ce = ce + 1 K_ref = K_ref + homogenization_K_phi(ce)
K_ref = K_ref + damage_nonlocal_getDiffusion(ce) mu_ref = mu_ref + homogenization_mu_phi(ce)
mu_ref = mu_ref + damage_nonlocal_getMobility(ce) enddo
enddo; enddo; enddo
K_ref = K_ref*wgt K_ref = K_ref*wgt
call MPI_Allreduce(MPI_IN_PLACE,K_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,K_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
mu_ref = mu_ref*wgt mu_ref = mu_ref*wgt

46
src/grid/grid_thermal_spectral.f90
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@ -18,7 +18,6 @@ module grid_thermal_spectral
use homogenization use homogenization
use YAML_types use YAML_types
use config use config
use material
implicit none implicit none
private private
@ -68,7 +67,7 @@ subroutine grid_thermal_spectral_init(T_0)
PetscInt, dimension(0:worldsize-1) :: localK PetscInt, dimension(0:worldsize-1) :: localK
integer :: i, j, k, ce integer :: i, j, k, ce
DM :: thermal_grid DM :: thermal_grid
PetscScalar, dimension(:,:,:), pointer :: x_scal PetscScalar, dimension(:,:,:), pointer :: T_PETSc
PetscErrorCode :: ierr PetscErrorCode :: ierr
class(tNode), pointer :: & class(tNode), pointer :: &
num_grid num_grid
@ -130,6 +129,7 @@ subroutine grid_thermal_spectral_init(T_0)
allocate(T_current(grid(1),grid(2),grid3), source=0.0_pReal) allocate(T_current(grid(1),grid(2),grid3), source=0.0_pReal)
allocate(T_lastInc(grid(1),grid(2),grid3), source=0.0_pReal) allocate(T_lastInc(grid(1),grid(2),grid3), source=0.0_pReal)
allocate(T_stagInc(grid(1),grid(2),grid3), source=0.0_pReal) allocate(T_stagInc(grid(1),grid(2),grid3), source=0.0_pReal)
ce = 0 ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1 ce = ce + 1
@ -138,9 +138,10 @@ subroutine grid_thermal_spectral_init(T_0)
T_stagInc(i,j,k) = T_current(i,j,k) T_stagInc(i,j,k) = T_current(i,j,k)
call homogenization_thermal_setField(T_0,0.0_pReal,ce) call homogenization_thermal_setField(T_0,0.0_pReal,ce)
enddo; enddo; enddo enddo; enddo; enddo
call DMDAVecGetArrayF90(thermal_grid,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
x_scal(xstart:xend,ystart:yend,zstart:zend) = T_current call DMDAVecGetArrayF90(thermal_grid,solution_vec,T_PETSc,ierr); CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(thermal_grid,solution_vec,x_scal,ierr); CHKERRQ(ierr) T_PETSc(xstart:xend,ystart:yend,zstart:zend) = T_current
call DMDAVecRestoreArrayF90(thermal_grid,solution_vec,T_PETSc,ierr); CHKERRQ(ierr)
call updateReference call updateReference
@ -190,9 +191,7 @@ function grid_thermal_spectral_solution(timeinc) result(solution)
ce = 0 ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1 ce = ce + 1
call homogenization_thermal_setField(T_current(i,j,k), & call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc,ce)
(T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc, &
ce)
enddo; enddo; enddo enddo; enddo; enddo
call VecMin(solution_vec,devNull,T_min,ierr); CHKERRQ(ierr) call VecMin(solution_vec,devNull,T_min,ierr); CHKERRQ(ierr)
@ -223,16 +222,14 @@ subroutine grid_thermal_spectral_forward(cutBack)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! reverting thermal field state ! reverting thermal field state
ce = 0
call SNESGetDM(thermal_snes,dm_local,ierr); CHKERRQ(ierr) call SNESGetDM(thermal_snes,dm_local,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with call DMDAVecGetArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
x_scal(xstart:xend,ystart:yend,zstart:zend) = T_current x_scal(xstart:xend,ystart:yend,zstart:zend) = T_current
call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr) call DMDAVecRestoreArrayF90(dm_local,solution_vec,x_scal,ierr); CHKERRQ(ierr)
ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1 ce = ce + 1
call homogenization_thermal_setField(T_current(i,j,k), & call homogenization_thermal_setField(T_current(i,j,k),(T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc,ce)
(T_current(i,j,k)-T_lastInc(i,j,k))/params%timeinc, &
ce)
enddo; enddo; enddo enddo; enddo; enddo
else else
T_lastInc = T_current T_lastInc = T_current
@ -258,7 +255,6 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
PetscObject :: dummy PetscObject :: dummy
PetscErrorCode :: ierr PetscErrorCode :: ierr
integer :: i, j, k, ce integer :: i, j, k, ce
real(pReal) :: Tdot
T_current = x_scal T_current = x_scal
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -271,8 +267,7 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
ce = 0 ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1 ce = ce + 1
vectorField_real(1:3,i,j,k) = matmul(thermal_conduction_getConductivity(ce) - K_ref, & vectorField_real(1:3,i,j,k) = matmul(homogenization_K_T(ce) - K_ref, vectorField_real(1:3,i,j,k))
vectorField_real(1:3,i,j,k))
enddo; enddo; enddo enddo; enddo; enddo
call utilities_FFTvectorForward call utilities_FFTvectorForward
call utilities_fourierVectorDivergence !< calculate temperature divergence in fourier field call utilities_fourierVectorDivergence !< calculate temperature divergence in fourier field
@ -280,9 +275,8 @@ subroutine formResidual(in,x_scal,f_scal,dummy,ierr)
ce = 0 ce = 0
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1)
ce = ce + 1 ce = ce + 1
call thermal_conduction_getSource(Tdot,1,ce) scalarField_real(i,j,k) = params%timeinc*(scalarField_real(i,j,k) + homogenization_f_T(ce)) &
scalarField_real(i,j,k) = params%timeinc*(scalarField_real(i,j,k) + Tdot) & + homogenization_mu_T(ce) * (T_lastInc(i,j,k) - T_current(i,j,k)) &
+ homogenization_thermal_mu_T(ce) * (T_lastInc(i,j,k) - T_current(i,j,k)) &
+ mu_ref*T_current(i,j,k) + mu_ref*T_current(i,j,k)
enddo; enddo; enddo enddo; enddo; enddo
@ -302,18 +296,18 @@ end subroutine formResidual
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief update reference viscosity and conductivity !> @brief update reference viscosity and conductivity
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine updateReference subroutine updateReference()
integer :: ce,ierr
integer :: i,j,k,ce,ierr
ce = 0
K_ref = 0.0_pReal K_ref = 0.0_pReal
mu_ref = 0.0_pReal mu_ref = 0.0_pReal
do k = 1, grid3; do j = 1, grid(2); do i = 1,grid(1) do ce = 1, product(grid(1:2))*grid3
ce = ce + 1 K_ref = K_ref + homogenization_K_T(ce)
K_ref = K_ref + thermal_conduction_getConductivity(ce) mu_ref = mu_ref + homogenization_mu_T(ce)
mu_ref = mu_ref + homogenization_thermal_mu_T(ce) enddo
enddo; enddo; enddo
K_ref = K_ref*wgt K_ref = K_ref*wgt
call MPI_Allreduce(MPI_IN_PLACE,K_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,K_ref,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
mu_ref = mu_ref*wgt mu_ref = mu_ref*wgt

91
src/homogenization.f90
View File

@ -100,10 +100,6 @@ module homogenization
integer, intent(in) :: ce integer, intent(in) :: ce
end subroutine damage_partition end subroutine damage_partition
module subroutine thermal_homogenize(ip,el)
integer, intent(in) :: ip,el
end subroutine thermal_homogenize
module subroutine mechanical_homogenize(dt,ce) module subroutine mechanical_homogenize(dt,ce)
real(pReal), intent(in) :: dt real(pReal), intent(in) :: dt
integer, intent(in) :: & integer, intent(in) :: &
@ -135,46 +131,41 @@ module homogenization
logical, dimension(2) :: doneAndHappy logical, dimension(2) :: doneAndHappy
end function mechanical_updateState end function mechanical_updateState
module function homogenization_mu_T(ce) result(mu)
integer, intent(in) :: ce
real(pReal) :: mu
end function homogenization_mu_T
module function thermal_conduction_getConductivity(ce) result(K) module function homogenization_K_T(ce) result(K)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal), dimension(3,3) :: K real(pReal), dimension(3,3) :: K
end function thermal_conduction_getConductivity end function homogenization_K_T
module function homogenization_thermal_mu_T(ce) result(mu_T) module function homogenization_f_T(ce) result(f)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal) :: mu_T real(pReal) :: f
end function homogenization_thermal_mu_T end function homogenization_f_T
module subroutine homogenization_thermal_setField(T,dot_T, ce) module subroutine homogenization_thermal_setField(T,dot_T, ce)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal), intent(in) :: T, dot_T real(pReal), intent(in) :: T, dot_T
end subroutine homogenization_thermal_setField end subroutine homogenization_thermal_setField
module function homogenization_thermal_T(ce) result(T) module function homogenization_mu_phi(ce) result(mu)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal) :: T real(pReal) :: mu
end function homogenization_thermal_T end function homogenization_mu_phi
module subroutine thermal_conduction_getSource(Tdot, ip, el) module function homogenization_K_phi(ce) result(K)
integer, intent(in) :: &
ip, &
el
real(pReal), intent(out) :: Tdot
end subroutine thermal_conduction_getSource
module function damage_nonlocal_getMobility(ce) result(M)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal) :: M real(pReal), dimension(3,3) :: K
end function damage_nonlocal_getMobility end function homogenization_K_phi
module subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, phi, ce) module function homogenization_f_phi(phi,ce) result(f)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal), intent(in) :: & real(pReal), intent(in) :: phi
phi real(pReal) :: f
real(pReal), intent(out) :: & end function homogenization_f_phi
phiDot
end subroutine damage_nonlocal_getSourceAndItsTangent
module subroutine homogenization_set_phi(phi,ce) module subroutine homogenization_set_phi(phi,ce)
integer, intent(in) :: ce integer, intent(in) :: ce
@ -187,14 +178,14 @@ module homogenization
public :: & public :: &
homogenization_init, & homogenization_init, &
materialpoint_stressAndItsTangent, & materialpoint_stressAndItsTangent, &
homogenization_thermal_mu_T, & homogenization_mu_T, &
thermal_conduction_getConductivity, & homogenization_K_T, &
thermal_conduction_getSource, & homogenization_f_T, &
damage_nonlocal_getMobility, &
damage_nonlocal_getSourceAndItsTangent, &
homogenization_set_phi, &
homogenization_thermal_setfield, & homogenization_thermal_setfield, &
homogenization_thermal_T, & homogenization_mu_phi, &
homogenization_K_phi, &
homogenization_f_phi, &
homogenization_set_phi, &
homogenization_forward, & homogenization_forward, &
homogenization_results, & homogenization_results, &
homogenization_restartRead, & homogenization_restartRead, &
@ -202,9 +193,6 @@ module homogenization
THERMAL_CONDUCTION_ID, & THERMAL_CONDUCTION_ID, &
DAMAGE_NONLOCAL_ID DAMAGE_NONLOCAL_ID
public :: &
damage_nonlocal_getDiffusion
contains contains
@ -314,7 +302,6 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
terminallyIll = .true. ! ...and kills all others terminallyIll = .true. ! ...and kills all others
endif endif
enddo enddo
call thermal_homogenize(ip,el)
enddo enddo
enddo enddo
!$OMP END DO !$OMP END DO
@ -447,32 +434,6 @@ subroutine homogenization_restartRead(fileHandle)
end subroutine homogenization_restartRead end subroutine homogenization_restartRead
!--------------------------------------------------------------------------------------------------
!> @brief returns homogenized non local damage diffusion tensor in reference configuration
!--------------------------------------------------------------------------------------------------
function damage_nonlocal_getDiffusion(ce)
integer, intent(in) :: ce
real(pReal), dimension(3,3) :: &
damage_nonlocal_getDiffusion
integer :: &
ho, &
co
ho = material_homogenizationID(ce)
damage_nonlocal_getDiffusion = 0.0_pReal
do co = 1, homogenization_Nconstituents(ho)
damage_nonlocal_getDiffusion = damage_nonlocal_getDiffusion + &
crystallite_push33ToRef(co,ce,lattice_D(1:3,1:3,material_phaseID(co,ce)))
enddo
damage_nonlocal_getDiffusion = &
num_damage%charLength**2*damage_nonlocal_getDiffusion/real(homogenization_Nconstituents(ho),pReal)
end function damage_nonlocal_getDiffusion
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief parses the homogenization part from the material configuration !> @brief parses the homogenization part from the material configuration
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

72
src/homogenization_damage.f90
View File

@ -26,8 +26,8 @@ submodule(homogenization) damage
type(tparameters), dimension(:), allocatable :: & type(tparameters), dimension(:), allocatable :: &
param param
contains
contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Allocate variables and set parameters. !> @brief Allocate variables and set parameters.
@ -38,14 +38,12 @@ module subroutine damage_init()
configHomogenizations, & configHomogenizations, &
configHomogenization, & configHomogenization, &
configHomogenizationDamage, & configHomogenizationDamage, &
num_generic, & num_generic
material_homogenization integer :: ho,Nmaterialpoints
integer :: ho
integer :: Ninstances,Nmaterialpoints,h
print'(/,a)', ' <<<+- homogenization:damage init -+>>>' print'(/,a)', ' <<<+- homogenization:damage init -+>>>'
print'(/,a)', ' <<<+- homogenization:damage:pass init -+>>>'
configHomogenizations => config_material%get('homogenization') configHomogenizations => config_material%get('homogenization')
allocate(param(configHomogenizations%length)) allocate(param(configHomogenizations%length))
@ -62,6 +60,10 @@ module subroutine damage_init()
#else #else
prm%output = configHomogenizationDamage%get_as1dString('output',defaultVal=emptyStringArray) prm%output = configHomogenizationDamage%get_as1dString('output',defaultVal=emptyStringArray)
#endif #endif
Nmaterialpoints = count(material_homogenizationAt == ho)
damageState_h(ho)%sizeState = 1
allocate(damageState_h(ho)%state0(1,Nmaterialpoints), source=1.0_pReal)
allocate(damageState_h(ho)%state (1,Nmaterialpoints), source=1.0_pReal)
else else
prm%output = emptyStringArray prm%output = emptyStringArray
endif endif
@ -73,18 +75,7 @@ module subroutine damage_init()
num_generic => config_numerics%get('generic',defaultVal= emptyDict) num_generic => config_numerics%get('generic',defaultVal= emptyDict)
num_damage%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal) num_damage%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal)
Ninstances = count(damage_type == DAMAGE_nonlocal_ID) call pass_init()
material_homogenization => config_material%get('homogenization')
do h = 1, material_homogenization%length
if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
Nmaterialpoints = count(material_homogenizationAt == h)
damageState_h(h)%sizeState = 1
allocate(damageState_h(h)%state0 (1,Nmaterialpoints), source=1.0_pReal)
allocate(damageState_h(h)%state (1,Nmaterialpoints), source=1.0_pReal)
enddo
end subroutine damage_init end subroutine damage_init
@ -100,53 +91,70 @@ module subroutine damage_partition(ce)
if(damageState_h(material_homogenizationID(ce))%sizeState < 1) return if(damageState_h(material_homogenizationID(ce))%sizeState < 1) return
phi = damagestate_h(material_homogenizationID(ce))%state(1,material_homogenizationEntry(ce)) phi = damagestate_h(material_homogenizationID(ce))%state(1,material_homogenizationEntry(ce))
call phase_damage_set_phi(phi,1,ce) call phase_set_phi(phi,1,ce)
end subroutine damage_partition end subroutine damage_partition
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Returns homogenized nonlocal damage mobility !> @brief Homogenized damage viscosity.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module function damage_nonlocal_getMobility(ce) result(M) module function homogenization_mu_phi(ce) result(mu)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal) :: M real(pReal) :: mu
M = lattice_M(material_phaseID(1,ce))
end function damage_nonlocal_getMobility mu = phase_mu_phi(1,ce)
end function homogenization_mu_phi
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief calculates homogenized damage driving forces !> @brief Homogenized damage conductivity/diffusivity in reference configuration.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, phi, ce) module function homogenization_K_phi(ce) result(K)
integer, intent(in) :: ce
real(pReal), dimension(3,3) :: K
K = phase_K_phi(1,ce) &
* num_damage%charLength**2
end function homogenization_K_phi
!--------------------------------------------------------------------------------------------------
!> @brief Homogenized damage driving force.
!--------------------------------------------------------------------------------------------------
module function homogenization_f_phi(phi,ce) result(f)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
phi phi
real(pReal), intent(out) :: & real(pReal) :: f
phiDot
phiDot = phase_damage_phi_dot(phi, 1, ce)
end subroutine damage_nonlocal_getSourceAndItsTangent f = phase_f_phi(phi, 1, ce)
end function homogenization_f_phi
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief updated nonlocal damage field with solution from damage phase field PDE !> @brief Set damage field.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine homogenization_set_phi(phi,ce) module subroutine homogenization_set_phi(phi,ce)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
phi phi
integer :: & integer :: &
ho, & ho, &
en en
ho = material_homogenizationID(ce) ho = material_homogenizationID(ce)
en = material_homogenizationEntry(ce) en = material_homogenizationEntry(ce)
damagestate_h(ho)%state(1,en) = phi damagestate_h(ho)%state(1,en) = phi

3
src/homogenization_damage_pass.f90
View File

@ -6,8 +6,9 @@ submodule(homogenization:damage) damage_pass
contains contains
module subroutine pass_init module subroutine pass_init()
print'(/,a)', ' <<<+- homogenization:damage:pass init -+>>>'
end subroutine pass_init end subroutine pass_init

55
src/homogenization_mechanical.f90
View File

@ -32,25 +32,6 @@ submodule(homogenization) mechanical
end subroutine RGC_partitionDeformation end subroutine RGC_partitionDeformation
module subroutine isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,ho)
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) :: ho
end subroutine isostrain_averageStressAndItsTangent
module subroutine RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,ho)
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) :: ho
end subroutine RGC_averageStressAndItsTangent
module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy) module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
logical, dimension(2) :: doneAndHappy logical, dimension(2) :: doneAndHappy
real(pReal), dimension(:,:,:), intent(in) :: & real(pReal), dimension(:,:,:), intent(in) :: &
@ -148,39 +129,21 @@ module subroutine mechanical_homogenize(dt,ce)
integer, intent(in) :: ce integer, intent(in) :: ce
integer :: co integer :: co
real(pReal) :: dPdFs(3,3,3,3,homogenization_Nconstituents(material_homogenizationID(ce)))
real(pReal) :: Ps(3,3,homogenization_Nconstituents(material_homogenizationID(ce)))
chosenHomogenization: select case(homogenization_type(material_homogenizationID(ce)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
homogenization_P(1:3,1:3,ce) = phase_P(1,ce) homogenization_P(1:3,1:3,ce) = phase_P(1,ce)
homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = phase_mechanical_dPdF(dt,1,ce) homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = phase_mechanical_dPdF(dt,1,ce)
do co = 2, homogenization_Nconstituents(material_homogenizationID(ce))
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization homogenization_P(1:3,1:3,ce) = homogenization_P(1:3,1:3,ce) &
do co = 1, homogenization_Nconstituents(material_homogenizationID(ce)) + phase_P(co,ce)
dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(dt,co,ce) homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = homogenization_dPdF(1:3,1:3,1:3,1:3,ce) &
Ps(:,:,co) = phase_P(co,ce) + phase_mechanical_dPdF(dt,co,ce)
enddo enddo
call isostrain_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ce), &
homogenization_dPdF(1:3,1:3,1:3,1:3,ce),&
Ps,dPdFs, &
material_homogenizationID(ce))
case (HOMOGENIZATION_RGC_ID) chosenHomogenization homogenization_P(1:3,1:3,ce) = homogenization_P(1:3,1:3,ce) &
do co = 1, homogenization_Nconstituents(material_homogenizationID(ce)) / real(homogenization_Nconstituents(material_homogenizationID(ce)),pReal)
dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(dt,co,ce) homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = homogenization_dPdF(1:3,1:3,1:3,1:3,ce) &
Ps(:,:,co) = phase_P(co,ce) / real(homogenization_Nconstituents(material_homogenizationID(ce)),pReal)
enddo
call RGC_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ce), &
homogenization_dPdF(1:3,1:3,1:3,1:3,ce),&
Ps,dPdFs, &
material_homogenizationID(ce))
end select chosenHomogenization
end subroutine mechanical_homogenize end subroutine mechanical_homogenize

21
src/homogenization_mechanical_RGC.f90
View File

@ -89,7 +89,8 @@ module subroutine RGC_init(num_homogMech)
print'(/,a)', ' <<<+- homogenization:mechanical:RGC init -+>>>' print'(/,a)', ' <<<+- homogenization:mechanical:RGC init -+>>>'
print'(a,i2)', ' # instances: ',count(homogenization_type == HOMOGENIZATION_RGC_ID); flush(IO_STDOUT) print'(a,i2)', ' # instances: ',count(homogenization_type == HOMOGENIZATION_RGC_ID)
flush(IO_STDOUT)
print*, 'D.D. Tjahjanto et al., International Journal of Material Forming 2(1):939–942, 2009' print*, 'D.D. Tjahjanto et al., International Journal of Material Forming 2(1):939–942, 2009'
print*, 'https://doi.org/10.1007/s12289-009-0619-1'//IO_EOL print*, 'https://doi.org/10.1007/s12289-009-0619-1'//IO_EOL
@ -700,24 +701,6 @@ module function RGC_updateState(P,F,avgF,dt,dPdF,ce) result(doneAndHappy)
end function RGC_updateState end function RGC_updateState
!--------------------------------------------------------------------------------------------------
!> @brief derive average stress and stiffness from constituent quantities
!--------------------------------------------------------------------------------------------------
module subroutine RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,ho)
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) :: ho
avgP = sum(P,3) /real(product(param(ho)%N_constituents),pReal)
dAvgPdAvgF = sum(dPdF,5)/real(product(param(ho)%N_constituents),pReal)
end subroutine RGC_averageStressAndItsTangent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file !> @brief writes results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

83
src/homogenization_mechanical_isostrain.f90
View File

@ -6,21 +6,6 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
submodule(homogenization:mechanical) isostrain submodule(homogenization:mechanical) isostrain
enum, bind(c); enumerator :: &
parallel_ID, &
average_ID
end enum
type :: tParameters !< container type for internal constitutive parameters
integer :: &
N_constituents
integer(kind(average_ID)) :: &
mapping
end type
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstances)
contains contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -29,42 +14,21 @@ contains
module subroutine isostrain_init module subroutine isostrain_init
integer :: & integer :: &
h, & ho, &
Nmaterialpoints Nmaterialpoints
class(tNode), pointer :: &
material_homogenization, &
homog, &
homogMech
print'(/,a)', ' <<<+- homogenization:mechanical:isostrain init -+>>>' print'(/,a)', ' <<<+- homogenization:mechanical:isostrain init -+>>>'
print'(a,i2)', ' # instances: ',count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID); flush(IO_STDOUT) print'(a,i2)', ' # instances: ',count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
flush(IO_STDOUT)
material_homogenization => config_material%get('homogenization') do ho = 1, size(homogenization_type)
allocate(param(material_homogenization%length)) ! one container of parameters per homog if (homogenization_type(ho) /= HOMOGENIZATION_ISOSTRAIN_ID) cycle
do h = 1, size(homogenization_type) Nmaterialpoints = count(material_homogenizationAt == ho)
if (homogenization_type(h) /= HOMOGENIZATION_ISOSTRAIN_ID) cycle homogState(ho)%sizeState = 0
homog => material_homogenization%get(h) allocate(homogState(ho)%state0(0,Nmaterialpoints))
homogMech => homog%get('mechanical') allocate(homogState(ho)%state (0,Nmaterialpoints))
associate(prm => param(h))
prm%N_constituents = homogenization_Nconstituents(h)
select case(homogMech%get_asString('mapping',defaultVal = 'sum'))
case ('sum')
prm%mapping = parallel_ID
case ('avg')
prm%mapping = average_ID
case default
call IO_error(211,ext_msg='sum'//' (isostrain)')
end select
Nmaterialpoints = count(material_homogenizationAt == h)
homogState(h)%sizeState = 0
allocate(homogState(h)%state0 (0,Nmaterialpoints))
allocate(homogState(h)%state (0,Nmaterialpoints))
end associate
enddo enddo
@ -80,36 +44,9 @@ module subroutine isostrain_partitionDeformation(F,avgF)
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
F = spread(avgF,3,size(F,3)) F = spread(avgF,3,size(F,3))
end subroutine isostrain_partitionDeformation end subroutine isostrain_partitionDeformation
!--------------------------------------------------------------------------------------------------
!> @brief derive average stress and stiffness from constituent quantities
!--------------------------------------------------------------------------------------------------
module subroutine isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,ho)
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) :: ho
associate(prm => param(ho))
select case (prm%mapping)
case (parallel_ID)
avgP = sum(P,3)
dAvgPdAvgF = sum(dPdF,5)
case (average_ID)
avgP = sum(P,3) /real(prm%N_constituents,pReal)
dAvgPdAvgF = sum(dPdF,5)/real(prm%N_constituents,pReal)
end select
end associate
end subroutine isostrain_averageStressAndItsTangent
end submodule isostrain end submodule isostrain

21
src/homogenization_mechanical_pass.f90
View File

@ -14,25 +14,24 @@ contains
module subroutine pass_init module subroutine pass_init
integer :: & integer :: &
Ninstances, & ho, &
h, &
Nmaterialpoints Nmaterialpoints
print'(/,a)', ' <<<+- homogenization:mechanical:pass init -+>>>' print'(/,a)', ' <<<+- homogenization:mechanical:pass init -+>>>'
Ninstances = count(homogenization_type == HOMOGENIZATION_NONE_ID) print'(a,i2)', ' # instances: ',count(homogenization_type == HOMOGENIZATION_NONE_ID)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT) flush(IO_STDOUT)
do h = 1, size(homogenization_type) do ho = 1, size(homogenization_type)
if(homogenization_type(h) /= HOMOGENIZATION_NONE_ID) cycle if(homogenization_type(ho) /= HOMOGENIZATION_NONE_ID) cycle
if(homogenization_Nconstituents(h) /= 1) & if(homogenization_Nconstituents(ho) /= 1) &
call IO_error(211,ext_msg='N_constituents (pass)') call IO_error(211,ext_msg='N_constituents (pass)')
Nmaterialpoints = count(material_homogenizationAt == h) Nmaterialpoints = count(material_homogenizationAt == ho)
homogState(h)%sizeState = 0 homogState(ho)%sizeState = 0
allocate(homogState(h)%state0 (0,Nmaterialpoints)) allocate(homogState(ho)%state0(0,Nmaterialpoints))
allocate(homogState(h)%state (0,Nmaterialpoints)) allocate(homogState(ho)%state (0,Nmaterialpoints))
enddo enddo

127
src/homogenization_thermal.f90
View File

@ -45,8 +45,6 @@ module subroutine thermal_init()
print'(/,a)', ' <<<+- homogenization:thermal init -+>>>' print'(/,a)', ' <<<+- homogenization:thermal init -+>>>'
print'(/,a)', ' <<<+- homogenization:thermal:pass init -+>>>'
configHomogenizations => config_material%get('homogenization') configHomogenizations => config_material%get('homogenization')
@ -71,6 +69,8 @@ module subroutine thermal_init()
end associate end associate
enddo enddo
call pass_init()
end subroutine thermal_init end subroutine thermal_init
@ -95,94 +95,70 @@ end subroutine thermal_partition
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Homogenize temperature rates !> @brief Homogenized thermal viscosity.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine thermal_homogenize(ip,el) module function homogenization_mu_T(ce) result(mu)
integer, intent(in) :: ip,el integer, intent(in) :: ce
real(pReal) :: mu
!call phase_thermal_getRate(homogenization_dot_T((el-1)*discretization_nIPs+ip), ip,el) integer :: co
end subroutine thermal_homogenize
mu = phase_mu_T(1,ce)
do co = 2, homogenization_Nconstituents(material_homogenizationID(ce))
mu = mu + phase_mu_T(co,ce)
enddo
mu = mu / real(homogenization_Nconstituents(material_homogenizationID(ce)),pReal)
end function homogenization_mu_T
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief return homogenized thermal conductivity in reference configuration !> @brief Homogenized thermal conductivity in reference configuration.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module function thermal_conduction_getConductivity(ce) result(K) module function homogenization_K_T(ce) result(K)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal), dimension(3,3) :: K real(pReal), dimension(3,3) :: K
integer :: & integer :: co
co
K = 0.0_pReal
do co = 1, homogenization_Nconstituents(material_homogenizationID(ce)) K = phase_K_T(1,ce)
K = K + crystallite_push33ToRef(co,ce,lattice_K(:,:,material_phaseID(co,ce))) do co = 2, homogenization_Nconstituents(material_homogenizationID(ce))
K = K + phase_K_T(co,ce)
enddo enddo
K = K / real(homogenization_Nconstituents(material_homogenizationID(ce)),pReal) K = K / real(homogenization_Nconstituents(material_homogenizationID(ce)),pReal)
end function thermal_conduction_getConductivity end function homogenization_K_T
module function homogenization_thermal_mu_T(ce) result(mu_T)
integer, intent(in) :: ce
real(pReal) :: mu_T
mu_T = c_P(ce) * rho(ce)
end function homogenization_thermal_mu_T
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns homogenized specific heat capacity !> @brief Homogenized heat generation rate.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function c_P(ce) module function homogenization_f_T(ce) result(f)
integer, intent(in) :: ce integer, intent(in) :: ce
real(pReal) :: c_P real(pReal) :: f
integer :: co integer :: co
c_P = lattice_c_p(material_phaseID(1,ce)) f = phase_f_T(material_phaseID(1,ce),material_phaseEntry(1,ce))
do co = 2, homogenization_Nconstituents(material_homogenizationID(ce)) do co = 2, homogenization_Nconstituents(material_homogenizationID(ce))
c_P = c_P + lattice_c_p(material_phaseID(co,ce)) f = f + phase_f_T(material_phaseID(co,ce),material_phaseEntry(co,ce))
enddo enddo
c_P = c_P / real(homogenization_Nconstituents(material_homogenizationID(ce)),pReal) f = f/real(homogenization_Nconstituents(material_homogenizationID(ce)),pReal)
end function c_P end function homogenization_f_T
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns homogenized mass density !> @brief Set thermal field and its rate (T and dot_T).
!--------------------------------------------------------------------------------------------------
function rho(ce)
integer, intent(in) :: ce
real(pReal) :: rho
integer :: co
rho = lattice_rho(material_phaseID(1,ce))
do co = 2, homogenization_Nconstituents(material_homogenizationID(ce))
rho = rho + lattice_rho(material_phaseID(co,ce))
enddo
rho = rho / real(homogenization_Nconstituents(material_homogenizationID(ce)),pReal)
end function rho
!--------------------------------------------------------------------------------------------------
!> @brief Set thermal field and its rate (T and dot_T)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine homogenization_thermal_setField(T,dot_T, ce) module subroutine homogenization_thermal_setField(T,dot_T, ce)
@ -197,7 +173,6 @@ module subroutine homogenization_thermal_setField(T,dot_T, ce)
end subroutine homogenization_thermal_setField end subroutine homogenization_thermal_setField
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file !> @brief writes results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -219,44 +194,4 @@ module subroutine thermal_results(ho,group)
end subroutine thermal_results end subroutine thermal_results
module function homogenization_thermal_T(ce) result(T)
integer, intent(in) :: ce
real(pReal) :: T
T = current(material_homogenizationID(ce))%T(material_homogenizationEntry(ce))
end function homogenization_thermal_T
!--------------------------------------------------------------------------------------------------
!> @brief return heat generation rate
!--------------------------------------------------------------------------------------------------
module subroutine thermal_conduction_getSource(Tdot, ip, el)
integer, intent(in) :: &
ip, &
el
real(pReal), intent(out) :: &
Tdot
integer :: co, ho,ph,me
real(pReal) :: dot_T_temp
ho = material_homogenizationAt(el)
Tdot = 0.0_pReal
do co = 1, homogenization_Nconstituents(ho)
ph = material_phaseAt(co,el)
me = material_phasememberAt(co,ip,el)
call phase_thermal_getRate(dot_T_temp, ph,me)
Tdot = Tdot + dot_T_temp
enddo
Tdot = Tdot/real(homogenization_Nconstituents(ho),pReal)
end subroutine thermal_conduction_getSource
end submodule thermal end submodule thermal

3
src/homogenization_thermal_pass.f90
View File

@ -6,8 +6,9 @@ submodule(homogenization:thermal) thermal_pass
contains contains
module subroutine pass_init module subroutine pass_init()
print'(/,a)', ' <<<+- homogenization:thermal:pass init -+>>>'
end subroutine pass_init end subroutine pass_init

45
src/lattice.f90
View File

@ -394,13 +394,11 @@ module lattice
! SHOULD NOT BE PART OF LATTICE BEGIN ! SHOULD NOT BE PART OF LATTICE BEGIN
real(pReal), dimension(:), allocatable, public, protected :: & real(pReal), dimension(:), allocatable, public, protected :: &
lattice_mu, lattice_nu, & lattice_mu, lattice_nu, &
lattice_M, & lattice_mu_phi, &
lattice_rho, & lattice_rho, &
lattice_c_p lattice_c_p
real(pReal), dimension(:,:,:), allocatable, public, protected :: & real(pReal), dimension(:,:,:), allocatable, public, protected :: &
lattice_C66, & lattice_C66
lattice_K, &
lattice_D
integer(kind(lattice_UNDEFINED_ID)), dimension(:), allocatable, public, protected :: & integer(kind(lattice_UNDEFINED_ID)), dimension(:), allocatable, public, protected :: &
lattice_structure lattice_structure
! SHOULD NOT BE PART OF LATTICE END ! SHOULD NOT BE PART OF LATTICE END
@ -458,23 +456,19 @@ subroutine lattice_init
phases, & phases, &
phase, & phase, &
mech, & mech, &
elasticity, & elasticity
thermal, &
damage
print'(/,a)', ' <<<+- lattice init -+>>>'; flush(IO_STDOUT) print'(/,a)', ' <<<+- lattice init -+>>>'; flush(IO_STDOUT)
! SHOULD NOT BE PART OF LATTICE BEGIN
phases => config_material%get('phase') phases => config_material%get('phase')
Nphases = phases%length Nphases = phases%length
allocate(lattice_structure(Nphases),source = lattice_UNDEFINED_ID) allocate(lattice_structure(Nphases),source = lattice_UNDEFINED_ID)
allocate(lattice_C66(6,6,Nphases), source=0.0_pReal) allocate(lattice_C66(6,6,Nphases), source=0.0_pReal)
allocate(lattice_K (3,3,Nphases), source=0.0_pReal) allocate(lattice_rho, &
allocate(lattice_D (3,3,Nphases), source=0.0_pReal)
allocate(lattice_M,&
lattice_rho,lattice_c_p, &
lattice_mu, lattice_nu,& lattice_mu, lattice_nu,&
source=[(0.0_pReal,i=1,Nphases)]) source=[(0.0_pReal,i=1,Nphases)])
@ -522,32 +516,7 @@ subroutine lattice_init
enddo enddo
lattice_rho(ph) = phase%get_asFloat('rho', defaultVal=0.0_pReal) lattice_rho(ph) = phase%get_asFloat('rho', defaultVal=0.0_pReal)
! SHOULD NOT BE PART OF LATTICE END
! SHOULD NOT BE PART OF LATTICE BEGIN
if (phase%contains('thermal')) then
thermal => phase%get('thermal')
lattice_K(1,1,ph) = thermal%get_asFloat('K_11',defaultVal=0.0_pReal)
lattice_K(2,2,ph) = thermal%get_asFloat('K_22',defaultVal=0.0_pReal)
lattice_K(3,3,ph) = thermal%get_asFloat('K_33',defaultVal=0.0_pReal)
lattice_K(1:3,1:3,ph) = lattice_applyLatticeSymmetry33(lattice_K(1:3,1:3,ph), &
phase%get_asString('lattice'))
lattice_c_p(ph) = thermal%get_asFloat('c_p', defaultVal=0.0_pReal)
endif
if (phase%contains('damage')) then
damage => phase%get('damage')
damage => damage%get(1)
lattice_D(1,1,ph) = damage%get_asFloat('D_11',defaultVal=0.0_pReal)
lattice_D(2,2,ph) = damage%get_asFloat('D_22',defaultVal=0.0_pReal)
lattice_D(3,3,ph) = damage%get_asFloat('D_33',defaultVal=0.0_pReal)
lattice_D(1:3,1:3,ph) = lattice_applyLatticeSymmetry33(lattice_D(1:3,1:3,ph), &
phase%get_asString('lattice'))
lattice_M(ph) = damage%get_asFloat('M',defaultVal=0.0_pReal)
endif
! SHOULD NOT BE PART OF LATTICE END
call selfTest call selfTest

68
src/phase.f90
View File

@ -145,26 +145,22 @@ module phase
real(pReal), dimension(3,3) :: L_p real(pReal), dimension(3,3) :: L_p
end function mechanical_L_p end function mechanical_L_p
module function phase_F(co,ce) result(F)
integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: F
end function phase_F
module function mechanical_F_e(ph,me) result(F_e) module function mechanical_F_e(ph,me) result(F_e)
integer, intent(in) :: ph,me integer, intent(in) :: ph,me
real(pReal), dimension(3,3) :: F_e real(pReal), dimension(3,3) :: F_e
end function mechanical_F_e end function mechanical_F_e
module function phase_F(co,ce) result(F)
integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: F
end function phase_F
module function phase_P(co,ce) result(P) module function phase_P(co,ce) result(P)
integer, intent(in) :: co, ce integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: P real(pReal), dimension(3,3) :: P
end function phase_P end function phase_P
module function phase_damage_get_phi(co,ip,el) result(phi)
integer, intent(in) :: co, ip, el
real(pReal) :: phi
end function phase_damage_get_phi
module function thermal_T(ph,me) result(T) module function thermal_T(ph,me) result(T)
integer, intent(in) :: ph,me integer, intent(in) :: ph,me
real(pReal) :: T real(pReal) :: T
@ -188,13 +184,35 @@ module phase
module subroutine phase_thermal_setField(T,dot_T, co,ce) module subroutine phase_thermal_setField(T,dot_T, co,ce)
real(pReal), intent(in) :: T, dot_T real(pReal), intent(in) :: T, dot_T
integer, intent(in) :: ce, co integer, intent(in) :: co, ce
end subroutine phase_thermal_setField end subroutine phase_thermal_setField
module subroutine phase_damage_set_phi(phi,co,ce) module subroutine phase_set_phi(phi,co,ce)
real(pReal), intent(in) :: phi real(pReal), intent(in) :: phi
integer, intent(in) :: co, ce integer, intent(in) :: co, ce
end subroutine phase_damage_set_phi end subroutine phase_set_phi
module function phase_mu_phi(co,ce) result(mu)
integer, intent(in) :: co, ce
real(pReal) :: mu
end function phase_mu_phi
module function phase_K_phi(co,ce) result(K)
integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: K
end function phase_K_phi
module function phase_mu_T(co,ce) result(mu)
integer, intent(in) :: co, ce
real(pReal) :: mu
end function phase_mu_T
module function phase_K_T(co,ce) result(K)
integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: K
end function phase_K_T
! == cleaned:end =================================================================================== ! == cleaned:end ===================================================================================
@ -227,19 +245,18 @@ module phase
end function phase_homogenizedC end function phase_homogenizedC
module function phase_damage_phi_dot(phi,co,ce) result(phi_dot) module function phase_f_phi(phi,co,ce) result(f)
integer, intent(in) :: ce,co integer, intent(in) :: ce,co
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
phi !< damage parameter phi !< damage parameter
real(pReal) :: & real(pReal) :: &
phi_dot f
end function phase_damage_phi_dot end function phase_f_phi
module subroutine phase_thermal_getRate(TDot, ph,me) module function phase_f_T(ph,me) result(f)
integer, intent(in) :: ph, me integer, intent(in) :: ph, me
real(pReal), intent(out) :: & real(pReal) :: f
TDot end function phase_f_T
end subroutine phase_thermal_getRate
module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e) module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
integer, intent(in) :: & integer, intent(in) :: &
@ -300,8 +317,12 @@ module phase
public :: & public :: &
phase_init, & phase_init, &
phase_homogenizedC, & phase_homogenizedC, &
phase_damage_phi_dot, & phase_f_phi, &
phase_thermal_getRate, & phase_f_T, &
phase_K_phi, &
phase_K_T, &
phase_mu_phi, &
phase_mu_T, &
phase_results, & phase_results, &
phase_allocateState, & phase_allocateState, &
phase_forward, & phase_forward, &
@ -318,8 +339,7 @@ module phase
phase_restartRead, & phase_restartRead, &
integrateDamageState, & integrateDamageState, &
phase_thermal_setField, & phase_thermal_setField, &
phase_damage_set_phi, & phase_set_phi, &
phase_damage_get_phi, &
phase_P, & phase_P, &
phase_set_F, & phase_set_F, &
phase_F phase_F

89
src/phase_damage.f90
View File

@ -2,6 +2,12 @@
!> @brief internal microstructure state for all damage sources and kinematics constitutive models !> @brief internal microstructure state for all damage sources and kinematics constitutive models
!---------------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------------
submodule(phase) damage submodule(phase) damage
type :: tDamageParameters
real(pReal) :: mu = 0.0_pReal !< viscosity
real(pReal), dimension(3,3) :: K = 0.0_pReal !< conductivity/diffusivity
end type tDamageParameters
enum, bind(c); enumerator :: & enum, bind(c); enumerator :: &
DAMAGE_UNDEFINED_ID, & DAMAGE_UNDEFINED_ID, &
DAMAGE_ISOBRITTLE_ID, & DAMAGE_ISOBRITTLE_ID, &
@ -18,11 +24,10 @@ submodule(phase) damage
integer(kind(DAMAGE_UNDEFINED_ID)), dimension(:), allocatable :: & integer(kind(DAMAGE_UNDEFINED_ID)), dimension(:), allocatable :: &
phase_source !< active sources mechanisms of each phase phase_source !< active sources mechanisms of each phase
integer, dimension(:), allocatable :: &
phase_Nsources
type(tDataContainer), dimension(:), allocatable :: current type(tDataContainer), dimension(:), allocatable :: current
type(tDamageParameters), dimension(:), allocatable :: param
interface interface
module function anisobrittle_init() result(mySources) module function anisobrittle_init() result(mySources)
@ -100,18 +105,19 @@ module subroutine damage_init
class(tNode), pointer :: & class(tNode), pointer :: &
phases, & phases, &
phase, & phase, &
sources sources, &
source
logical:: damage_active
print'(/,a)', ' <<<+- phase:damage init -+>>>' print'(/,a)', ' <<<+- phase:damage init -+>>>'
phases => config_material%get('phase') phases => config_material%get('phase')
allocate(current(phases%length)) allocate(current(phases%length))
allocate(damageState (phases%length)) allocate(damageState (phases%length))
allocate(phase_Nsources(phases%length),source = 0) allocate(param(phases%length))
damage_active = .false.
do ph = 1,phases%length do ph = 1,phases%length
Nmembers = count(material_phaseID == ph) Nmembers = count(material_phaseID == ph)
@ -122,14 +128,21 @@ module subroutine damage_init
phase => phases%get(ph) phase => phases%get(ph)
sources => phase%get('damage',defaultVal=emptyList) sources => phase%get('damage',defaultVal=emptyList)
if (sources%length > 1) error stop if (sources%length > 1) error stop
phase_Nsources(ph) = sources%length if (sources%length == 1) then
damage_active = .true.
source => sources%get(1)
param(ph)%mu = source%get_asFloat('M',defaultVal=0.0_pReal)
param(ph)%K(1,1) = source%get_asFloat('D_11',defaultVal=0.0_pReal)
param(ph)%K(2,2) = source%get_asFloat('D_22',defaultVal=0.0_pReal)
param(ph)%K(3,3) = source%get_asFloat('D_33',defaultVal=0.0_pReal)
param(ph)%K = lattice_applyLatticeSymmetry33(param(ph)%K,phase%get_asString('lattice'))
endif
enddo enddo
allocate(phase_source(phases%length), source = DAMAGE_UNDEFINED_ID) allocate(phase_source(phases%length), source = DAMAGE_UNDEFINED_ID)
! initialize source mechanisms if (damage_active) then
if(maxval(phase_Nsources) /= 0) then
where(isobrittle_init() ) phase_source = DAMAGE_ISOBRITTLE_ID where(isobrittle_init() ) phase_source = DAMAGE_ISOBRITTLE_ID
where(isoductile_init() ) phase_source = DAMAGE_ISODUCTILE_ID where(isoductile_init() ) phase_source = DAMAGE_ISODUCTILE_ID
where(anisobrittle_init()) phase_source = DAMAGE_ANISOBRITTLE_ID where(anisobrittle_init()) phase_source = DAMAGE_ANISOBRITTLE_ID
@ -142,13 +155,13 @@ end subroutine damage_init
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
!< @brief returns local part of nonlocal damage driving force !< @brief returns local part of nonlocal damage driving force
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
module function phase_damage_phi_dot(phi,co,ce) result(phi_dot) module function phase_f_phi(phi,co,ce) result(f)
integer, intent(in) :: ce,co integer, intent(in) :: ce,co
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
phi !< damage parameter phi !< damage parameter
real(pReal) :: & real(pReal) :: &
phi_dot f
integer :: & integer :: &
ph, & ph, &
@ -159,13 +172,13 @@ module function phase_damage_phi_dot(phi,co,ce) result(phi_dot)
select case(phase_source(ph)) select case(phase_source(ph))
case(DAMAGE_ISOBRITTLE_ID,DAMAGE_ISODUCTILE_ID,DAMAGE_ANISOBRITTLE_ID,DAMAGE_ANISODUCTILE_ID) case(DAMAGE_ISOBRITTLE_ID,DAMAGE_ISODUCTILE_ID,DAMAGE_ANISOBRITTLE_ID,DAMAGE_ANISODUCTILE_ID)
phi_dot = 1.0_pReal & f = 1.0_pReal &
- phi*damageState(ph)%state(1,en) - phi*damageState(ph)%state(1,en)
case default case default
phi_dot = 0.0_pReal f = 0.0_pReal
end select end select
end function phase_damage_phi_dot end function phase_f_phi
@ -276,9 +289,6 @@ module subroutine damage_results(group,ph)
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
integer, intent(in) :: ph integer, intent(in) :: ph
integer :: so
sourceLoop: do so = 1, phase_Nsources(ph)
if (phase_source(ph) /= DAMAGE_UNDEFINED_ID) & if (phase_source(ph) /= DAMAGE_UNDEFINED_ID) &
call results_closeGroup(results_addGroup(group//'damage')) call results_closeGroup(results_addGroup(group//'damage'))
@ -299,8 +309,6 @@ module subroutine damage_results(group,ph)
end select sourceType end select sourceType
enddo SourceLoop
end subroutine damage_results end subroutine damage_results
@ -339,6 +347,33 @@ function phase_damage_collectDotState(ph,me) result(broken)
end function phase_damage_collectDotState end function phase_damage_collectDotState
!--------------------------------------------------------------------------------------------------
!> @brief Damage viscosity.
!--------------------------------------------------------------------------------------------------
module function phase_mu_phi(co,ce) result(mu)
integer, intent(in) :: co, ce
real(pReal) :: mu
mu = param(material_phaseID(co,ce))%mu
end function phase_mu_phi
!--------------------------------------------------------------------------------------------------
!> @brief Damage conductivity/diffusivity in reference configuration.
!--------------------------------------------------------------------------------------------------
module function phase_K_phi(co,ce) result(K)
integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: K
K = crystallite_push33ToRef(co,ce,param(material_phaseID(co,ce))%K)
end function phase_K_phi
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief for constitutive models having an instantaneous change of state !> @brief for constitutive models having an instantaneous change of state
@ -411,7 +446,7 @@ end function source_active
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
!< @brief Set damage parameter !< @brief Set damage parameter
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
module subroutine phase_damage_set_phi(phi,co,ce) module subroutine phase_set_phi(phi,co,ce)
real(pReal), intent(in) :: phi real(pReal), intent(in) :: phi
integer, intent(in) :: ce, co integer, intent(in) :: ce, co
@ -419,17 +454,7 @@ module subroutine phase_damage_set_phi(phi,co,ce)
current(material_phaseID(co,ce))%phi(material_phaseEntry(co,ce)) = phi current(material_phaseID(co,ce))%phi(material_phaseEntry(co,ce)) = phi
end subroutine phase_damage_set_phi end subroutine phase_set_phi
module function phase_damage_get_phi(co,ip,el) result(phi)
integer, intent(in) :: co, ip, el
real(pReal) :: phi
phi = current(material_phaseAt(co,el))%phi(material_phaseMemberAt(co,ip,el))
end function phase_damage_get_phi
module function damage_phi(ph,me) result(phi) module function damage_phi(ph,me) result(phi)

87
src/phase_thermal.f90
View File

@ -3,6 +3,11 @@
!---------------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------------
submodule(phase) thermal submodule(phase) thermal
type :: tThermalParameters
real(pReal) :: C_p = 0.0_pReal !< heat capacity
real(pReal), dimension(3,3) :: K = 0.0_pReal !< thermal conductivity
end type tThermalParameters
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
thermal_Nsources thermal_Nsources
@ -21,7 +26,9 @@ submodule(phase) thermal
integer(kind(THERMAL_UNDEFINED_ID)), dimension(:,:), allocatable :: & integer(kind(THERMAL_UNDEFINED_ID)), dimension(:,:), allocatable :: &
thermal_source thermal_source
type(tDataContainer), dimension(:), allocatable :: current ! ?? not very telling name. Better: "field" ?? type(tDataContainer), dimension(:), allocatable :: current ! ?? not very telling name. Better: "field" ?? MD: current(ho)%T(me) reads quite good
type(tThermalParameters), dimension(:), allocatable :: param
integer :: thermal_source_maxSizeDotState integer :: thermal_source_maxSizeDotState
@ -45,21 +52,19 @@ submodule(phase) thermal
me me
end subroutine externalheat_dotState end subroutine externalheat_dotState
module subroutine dissipation_getRate(TDot, ph,me) module function dissipation_f_T(ph,me) result(f_T)
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
me me
real(pReal), intent(out) :: & real(pReal) :: f_T
TDot end function dissipation_f_T
end subroutine dissipation_getRate
module subroutine externalheat_getRate(TDot, ph,me) module function externalheat_f_T(ph,me) result(f_T)
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
me me
real(pReal), intent(out) :: & real(pReal) :: f_T
TDot end function externalheat_f_T
end subroutine externalheat_getRate
end interface end interface
@ -87,6 +92,7 @@ module subroutine thermal_init(phases)
allocate(thermalState(phases%length)) allocate(thermalState(phases%length))
allocate(thermal_Nsources(phases%length),source = 0) allocate(thermal_Nsources(phases%length),source = 0)
allocate(param(phases%length))
do ph = 1, phases%length do ph = 1, phases%length
Nmembers = count(material_phaseID == ph) Nmembers = count(material_phaseID == ph)
@ -94,9 +100,17 @@ module subroutine thermal_init(phases)
allocate(current(ph)%dot_T(Nmembers),source=0.0_pReal) allocate(current(ph)%dot_T(Nmembers),source=0.0_pReal)
phase => phases%get(ph) phase => phases%get(ph)
thermal => phase%get('thermal',defaultVal=emptyDict) thermal => phase%get('thermal',defaultVal=emptyDict)
param(ph)%C_p = thermal%get_asFloat('c_p',defaultVal=0.0_pReal)
if (param(ph)%C_p <= 0) param(ph)%C_p = thermal%get_asFloat('C_p',defaultVal=0.0_pReal)
param(ph)%K(1,1) = thermal%get_asFloat('K_11',defaultVal=0.0_pReal)
param(ph)%K(2,2) = thermal%get_asFloat('K_22',defaultVal=0.0_pReal)
param(ph)%K(3,3) = thermal%get_asFloat('K_33',defaultVal=0.0_pReal)
param(ph)%K = lattice_applyLatticeSymmetry33(param(ph)%K,phase%get_asString('lattice'))
sources => thermal%get('source',defaultVal=emptyList) sources => thermal%get('source',defaultVal=emptyList)
thermal_Nsources(ph) = sources%length thermal_Nsources(ph) = sources%length
allocate(thermalstate(ph)%p(thermal_Nsources(ph))) allocate(thermalstate(ph)%p(thermal_Nsources(ph)))
enddo enddo
allocate(thermal_source(maxval(thermal_Nsources),phases%length), source = THERMAL_UNDEFINED_ID) allocate(thermal_source(maxval(thermal_Nsources),phases%length), source = THERMAL_UNDEFINED_ID)
@ -123,35 +137,31 @@ end subroutine thermal_init
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
!< @brief calculates thermal dissipation rate !< @brief calculates thermal dissipation rate
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
module subroutine phase_thermal_getRate(TDot, ph,me) module function phase_f_T(ph,me) result(f)
integer, intent(in) :: ph, me integer, intent(in) :: ph, me
real(pReal), intent(out) :: & real(pReal) :: f
TDot
real(pReal) :: &
my_Tdot
integer :: &
so
TDot = 0.0_pReal integer :: so
f = 0.0_pReal
do so = 1, thermal_Nsources(ph) do so = 1, thermal_Nsources(ph)
select case(thermal_source(so,ph)) select case(thermal_source(so,ph))
case (THERMAL_DISSIPATION_ID) case (THERMAL_DISSIPATION_ID)
call dissipation_getRate(my_Tdot, ph,me) f = f + dissipation_f_T(ph,me)
case (THERMAL_EXTERNALHEAT_ID) case (THERMAL_EXTERNALHEAT_ID)
call externalheat_getRate(my_Tdot, ph,me) f = f + externalheat_f_T(ph,me)
case default
my_Tdot = 0.0_pReal
end select end select
Tdot = Tdot + my_Tdot
enddo enddo
end subroutine phase_thermal_getRate end function phase_f_T
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -179,6 +189,35 @@ function phase_thermal_collectDotState(ph,me) result(broken)
end function phase_thermal_collectDotState end function phase_thermal_collectDotState
!--------------------------------------------------------------------------------------------------
!> @brief Damage viscosity.
!--------------------------------------------------------------------------------------------------
module function phase_mu_T(co,ce) result(mu)
integer, intent(in) :: co, ce
real(pReal) :: mu
mu = lattice_rho(material_phaseID(co,ce)) &
* param(material_phaseID(co,ce))%C_p
end function phase_mu_T
!--------------------------------------------------------------------------------------------------
!> @brief Damage conductivity/diffusivity in reference configuration.
!--------------------------------------------------------------------------------------------------
module function phase_K_T(co,ce) result(K)
integer, intent(in) :: co, ce
real(pReal), dimension(3,3) :: K
K = crystallite_push33ToRef(co,ce,param(material_phaseID(co,ce))%K)
end function phase_K_T
module function thermal_stress(Delta_t,ph,me) result(converged_) ! ?? why is this called "stress" when it seems closer to "updateState" ?? module function thermal_stress(Delta_t,ph,me) result(converged_) ! ?? why is this called "stress" when it seems closer to "updateState" ??
real(pReal), intent(in) :: Delta_t real(pReal), intent(in) :: Delta_t

10
src/phase_thermal_dissipation.f90
View File

@ -69,17 +69,17 @@ end function dissipation_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Ninstancess dissipation rate !> @brief Ninstancess dissipation rate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine dissipation_getRate(TDot, ph,me) module function dissipation_f_T(ph,me) result(f_T)
integer, intent(in) :: ph, me integer, intent(in) :: ph, me
real(pReal), intent(out) :: & real(pReal) :: &
TDot f_T
associate(prm => param(ph)) associate(prm => param(ph))
TDot = prm%kappa*sum(abs(mechanical_S(ph,me)*mechanical_L_p(ph,me))) f_T = prm%kappa*sum(abs(mechanical_S(ph,me)*mechanical_L_p(ph,me)))
end associate end associate
end subroutine dissipation_getRate end function dissipation_f_T
end submodule dissipation end submodule dissipation

10
src/phase_thermal_externalheat.f90
View File

@ -100,13 +100,13 @@ end subroutine externalheat_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns local heat generation rate !> @brief returns local heat generation rate
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine externalheat_getRate(TDot, ph, me) module function externalheat_f_T(ph,me) result(f_T)
integer, intent(in) :: & integer, intent(in) :: &
ph, & ph, &
me me
real(pReal), intent(out) :: & real(pReal) :: &
TDot f_T
integer :: & integer :: &
so, interval so, interval
@ -122,12 +122,12 @@ module subroutine externalheat_getRate(TDot, ph, me)
if ( (frac_time < 0.0_pReal .and. interval == 1) & if ( (frac_time < 0.0_pReal .and. interval == 1) &
.or. (frac_time >= 1.0_pReal .and. interval == prm%nIntervals) & .or. (frac_time >= 1.0_pReal .and. interval == prm%nIntervals) &
.or. (frac_time >= 0.0_pReal .and. frac_time < 1.0_pReal) ) & .or. (frac_time >= 0.0_pReal .and. frac_time < 1.0_pReal) ) &
TDot = prm%f_T(interval ) * (1.0_pReal - frac_time) + & f_T = prm%f_T(interval ) * (1.0_pReal - frac_time) + &
prm%f_T(interval+1) * frac_time ! interpolate heat rate between segment boundaries... prm%f_T(interval+1) * frac_time ! interpolate heat rate between segment boundaries...
! ...or extrapolate if outside me bounds ! ...or extrapolate if outside me bounds
enddo enddo
end associate end associate
end subroutine externalheat_getRate end function externalheat_f_T
end submodule externalheat end submodule externalheat