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Merge remote-tracking branch 'origin/development' into Marc-start-material-at-0

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Martin Diehl 2021-07-14 06:15:46 +02:00
parent df9a94422f 10b75968f0
commit 2ffa6cac70
38 changed files with 67 additions and 65 deletions
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2
examples/config/phase/Al.yaml
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@ -1,4 +1,4 @@
references:
- en.wikipedia.org/wiki/Aluminium
- https://en.wikipedia.org/wiki/Aluminium
lattice: cF
rho: 2700.0

2
examples/config/phase/Au.yaml
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@ -1,4 +1,4 @@
references:
- en.wikipedia.org/wiki/Gold
- https://en.wikipedia.org/wiki/Gold
lattice: cF
rho: 19300.0

2
examples/config/phase/Cu.yaml
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@ -1,4 +1,4 @@
references:
- en.wikipedia.org/wiki/Copper
- https://en.wikipedia.org/wiki/Copper
lattice: cF
rho: 8960.0

2
examples/config/phase/Fe.yaml
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@ -1,4 +1,4 @@
references:
- en.wikipedia.org/wiki/Iron
- https://en.wikipedia.org/wiki/Iron
lattice: cI
rho: 7874.0

4
examples/config/phase/Mg.yaml
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@ -1,7 +1,7 @@
references:
- D. Tromans,
International Journal of Recent Research and Applied Studies 6(4)/462-483, 2011,
www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf
International Journal of Recent Research and Applied Studies 6(4):462-483, 2011,
https://www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf
lattice: hP
c/a: 1.62350
rho: 1740.0

2
examples/config/phase/Ni.yaml
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@ -1,4 +1,4 @@
references:
- en.wikipedia.org/wiki/Nickel
- https://en.wikipedia.org/wiki/Nickel
lattice: cF
rho: 8908.0

4
examples/config/phase/Ti.yaml
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@ -1,6 +1,6 @@
references:
- www.totalmateria.com/page.aspx?ID=CheckArticle&site=ktn&NM=221
- en.wikipedia.org/wiki/Titanium
- https://www.totalmateria.com/page.aspx?ID=CheckArticle&site=ktn&NM=221
- https://en.wikipedia.org/wiki/Titanium
lattice: hP
c/a: 1.587
rho: 4506.0

2
examples/config/phase/W.yaml
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@ -1,4 +1,4 @@
references:
- en.wikipedia.org/wiki/Tungsten
- https://en.wikipedia.org/wiki/Tungsten
lattice: cF
rho: 19300.0

2
examples/config/phase/mechanical/eigen/thermalexpansion_Al.yaml
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@ -1,5 +1,5 @@
type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion
- https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 23.1e-6
T_ref: 293.15

2
examples/config/phase/mechanical/eigen/thermalexpansion_Au.yaml
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@ -1,5 +1,5 @@
type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion
- https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 14.e-6
T_ref: 293.15

3
examples/config/phase/mechanical/eigen/thermalexpansion_C35E.yaml
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@ -1,6 +1,7 @@
type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion, fitted from image description
- https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg,
fitted from image description (Scilab code)
A_11: 12.70371e-6
A_11,T: 7.54e-9
A_11,T^2: -1.0e-11

2
examples/config/phase/mechanical/eigen/thermalexpansion_Cu.yaml
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@ -1,5 +1,5 @@
type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion
- https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 17.e-6
T_ref: 293.15

2
examples/config/phase/mechanical/eigen/thermalexpansion_Fe.yaml
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@ -1,5 +1,5 @@
type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion
- https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 11.8e-6
T_ref: 293.15

2
examples/config/phase/mechanical/eigen/thermalexpansion_W.yaml
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@ -1,5 +1,5 @@
type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion
- https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 4.5e-6
T_ref: 293.15

3
examples/config/phase/mechanical/eigen/thermalexpansion_X20Cr13.yaml
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@ -1,6 +1,7 @@
type: thermalexpansion
references:
- en.wikipedia.org/wiki/Thermal_expansion, fitted from image description
- https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg
fitted from image description (Scilab code)
A_11: 11.365e-6
A_11,T: 5.0e-9
T_ref: 273.0

4
examples/config/phase/mechanical/elastic/Hooke_Al.yaml
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@ -1,8 +1,8 @@
type: Hooke
references:
- J. Vallin et al.,
Journal of Applied Physics 35(6)/1825-1826, 1964,
10.1063/1.1713749
Journal of Applied Physics 35(6):1825-1826, 1964,
https://doi.org/10.1063/1.1713749
C_11: 107.3e+9
C_12: 60.8e+9
C_44: 28.3e+9

3
examples/config/phase/mechanical/elastic/Hooke_Cu.yaml
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@ -1,6 +1,7 @@
type: Hooke
references:
- www.mit.edu/~6.777/matprops/copper.htm, fixed typo
- https://www.mit.edu/~6.777/matprops/copper.htm,
fixed typo
C_11: 168.3e+9
C_12: 122.1e+9
C_44: 75.7e+9

4
examples/config/phase/mechanical/elastic/Hooke_Mg.yaml
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@ -1,8 +1,8 @@
type: Hooke
references:
- D. Tromans,
International Journal of Recent Research and Applied Studies 6(4)/462-483, 2011,
www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf
International Journal of Recent Research and Applied Studies 6(4):462-483, 2011,
https://www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf
C_11: 59.3e+9
C_33: 61.5e+9
C_44: 16.4e+9

8
examples/config/phase/mechanical/elastic/Hooke_TWIP-steel.yaml
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@ -1,11 +1,11 @@
type: Hooke
references:
- D. Music et al.,
Applied Physics Letters 99(19)/191904, 2007,
10.1063/1.2807677
Applied Physics Letters 99(19):191904, 2007,
https://doi.org/10.1063/1.2807677
- S.L. Wong et al.,
Acta Materialia 118/140-151, 2016,
10.1016/j.actamat.2016.07.032
Acta Materialia 118:140-151, 2016,
https://doi.org/10.1016/j.actamat.2016.07.032
C_11: 175.0e+9
C_12: 115.0e+9
C_44: 135.0e+9

4
examples/config/phase/mechanical/elastic/Hooke_Ti.yaml
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@ -1,8 +1,8 @@
type: Hooke
references:
- L. Wang et al.,
Acta Materialia 132/598-610, 2017,
10.1016/j.actamat.2017.05.015
Acta Materialia 132:598-610, 2017,
https://doi.org/10.1016/j.actamat.2017.05.015
C_11: 162.4e+9
C_33: 181.6e+9
C_44: 47.2e+9

4
examples/config/phase/mechanical/elastic/Hooke_W.yaml
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@ -1,8 +1,8 @@
type: Hooke
references:
- D. Cereceda et al.,
International Journal of Plasticity 78/242-265, 2016,
10.1016/j.ijplas.2015.09.002
International Journal of Plasticity 78:242-265, 2016,
https://doi.org/10.1016/j.ijplas.2015.09.002
C_11: 523.e+9
C_12: 202.e+9
C_44: 161.e+9

4
examples/config/phase/mechanical/elastic/Hooke_vanishing-Poisson-ratio.yaml
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@ -1,8 +1,8 @@
type: Hooke
references:
- T. Maiti and P. Eisenlohr,
Scripta Materialia 145/37-40, 2018,
10.1016/j.scriptamat.2017.09.047
Scripta Materialia 145:37-40, 2018,
https://doi.org/10.1016/j.scriptamat.2017.09.047
C_11: 1.e+8
C_12: 1.e+6
C_44: 4.95e+7

4
examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml
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@ -1,8 +1,8 @@
type: dislotwin
references:
- K. Sedighiani et al.,
International Journal of Plasticity 134/102779, 2020,
10.1016/j.ijplas.2020.102779
International Journal of Plasticity 134:102779, 2020,
https://doi.org/10.1016/j.ijplas.2020.102779
- K. Sedighiani et al.,
Mechanics of Materials, submitted
output: [rho_dip, rho_mob]

4
examples/config/phase/mechanical/plastic/isotropic_free-surface.yaml
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@ -1,8 +1,8 @@
type: isotropic
references:
- T. Maiti and P. Eisenlohr,
Scripta Materialia 145/37-40, 2018,
10.1016/j.scriptamat.2017.09.047
Scripta Materialia 145:37-40, 2018,
https://doi.org/10.1016/j.scriptamat.2017.09.047
output: [xi]
dot_gamma_0: 0.001
n: 20.

3
examples/config/phase/mechanical/plastic/nonlocal_Al.yaml
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@ -2,7 +2,8 @@ type: nonlocal
references:
C. Kords,
On the role of dislocation transport in the constitutive description of crystal plasticity,
RWTH Aachen 2013
RWTH Aachen 2013,
http://publications.rwth-aachen.de/record/229993/files/4862.pdf
output: [rho_u_ed_pos, rho_b_ed_pos, rho_u_ed_neg, rho_b_ed_neg, rho_u_sc_pos, rho_b_sc_pos, rho_u_sc_neg, rho_b_sc_neg, rho_d_ed, rho_d_sc]
N_sl: [12]

3
examples/config/phase/mechanical/plastic/nonlocal_Ni.yaml
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@ -2,7 +2,8 @@ type: nonlocal
references:
C. Kords,
On the role of dislocation transport in the constitutive description of crystal plasticity,
RWTH Aachen 2013
RWTH Aachen 2013,
http://publications.rwth-aachen.de/record/229993/files/4862.pdf
output: [rho_u_ed_pos, rho_b_ed_pos, rho_u_ed_neg, rho_b_ed_neg, rho_u_sc_pos, rho_b_sc_pos, rho_u_sc_neg, rho_b_sc_neg, rho_d_ed, rho_d_sc]
N_sl: [12]

4
examples/config/phase/mechanical/plastic/phenopowerlaw_Al.yaml
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@ -1,8 +1,8 @@
type: phenopowerlaw
references:
- W.F. Hosford et al.,
Acta Metallurgica 8(3)/187-199, 1960,
10.1016/0001-6160(60)90127-9,
Acta Metallurgica 8(3):187-199, 1960,
https://doi.org/10.1016/0001-6160(60)90127-9,
fitted from Fig. 5
output: [xi_sl, gamma_sl]
N_sl: [12]

8
examples/config/phase/mechanical/plastic/phenopowerlaw_Au.yaml
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@ -1,11 +1,11 @@
type: phenopowerlaw
references:
- D. Ma et al.,
Acta Materialia 103/796-808, 2016,
10.1016/j.actamat.2015.11.016
Acta Materialia 103:796-808, 2016,
https://doi.org/10.1016/j.actamat.2015.11.016
- I. Kovács and G.Vörös,
International Journal of Plasticity 12/35-43, 1996,
10.1016/S0749-6419(95)00043-7
International Journal of Plasticity 12:35-43, 1996,
https://doi.org/10.1016/S0749-6419(95)00043-7
output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 83.3

4
examples/config/phase/mechanical/plastic/phenopowerlaw_Cu.yaml
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@ -1,8 +1,8 @@
type: phenopowerlaw
references:
- T Takeuchi,
Transactions of the Japan Institute of Metals 16(10)/629-640, 1975,
10.2320/matertrans1960.16.629,
Transactions of the Japan Institute of Metals 16(10):629-640, 1975,
https://doi.org/10.2320/matertrans1960.16.629,
fitted from Fig. 3b
output: [xi_sl, gamma_sl]
N_sl: [12]

4
examples/config/phase/mechanical/plastic/phenopowerlaw_DP-steel-ferrite.yaml
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@ -1,8 +1,8 @@
type: phenopowerlaw
references:
- C.C. Tasan et al.,
Acta Materialia 81/386-400, 2014,
10.1016/j.actamat.2014.07.071
Acta Materialia 81:386-400, 2014,
https://doi.org/10.1016/j.actamat.2014.07.071
output: [xi_sl, gamma_sl]
N_sl: [12, 12]
n_sl: 20

8
examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml
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@ -1,11 +1,11 @@
type: phenopowerlaw
references:
- C. Zambaldi et al.,
Journal of Materials Research 27(1)/356-367, 2021,
10.1557/jmr.2011.334
Journal of Materials Research 27(1):356-367, 2021,
https://doi.org/10.1557/jmr.2011.334
- L. Wang et al.,
Acta Materialia 132/598-610, 2017,
10.1016/j.actamat.2017.05.015
Acta Materialia 132:598-610, 2017,
https://doi.org/10.1016/j.actamat.2017.05.015
output: [gamma_sl]
N_sl: [3, 3, 0, 0, 12]
n_sl: 20

4
examples/config/phase/thermal/Al.yaml
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@ -1,5 +1,5 @@
references:
- www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html
- www.engineeringtoolbox.com/specific-heat-metals-d_152.html
- https://www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
C_p: 910.0
K_11: 236.0

2
examples/config/phase/thermal/Au.yaml
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@ -1,4 +1,4 @@
references:
- de.wikipedia.org/wiki/Gold
- https://de.wikipedia.org/wiki/Gold
C_p: 128.0
K_11: 320.0

2
examples/config/phase/thermal/Cu.yaml
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@ -1,4 +1,4 @@
references:
- www.mit.edu/~6.777/matprops/copper.htm
- https://www.mit.edu/~6.777/matprops/copper.htm
C_p: 385.0
K_11: 401.0

4
examples/config/phase/thermal/Steel-0.5C.yaml
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@ -1,5 +1,5 @@
references:
- www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html
- www.engineeringtoolbox.com/specific-heat-metals-d_152.html
- https://www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
C_p: 490.0
K_11: 54.0

2
examples/config/phase/thermal/W.yaml
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@ -1,4 +1,4 @@
references:
- www.mit.edu/~6.777/matprops/tungsten.htm
- https://www.mit.edu/~6.777/matprops/tungsten.htm
C_p: 132.51
K_11: 178.0

2
python/damask/VERSION
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@ -1 +1 @@
v3.0.0-alpha4-10-g0ad4fd00b
v3.0.0-alpha4-65-gae3d844e4

7
src/YAML_parse.f90
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@ -199,11 +199,7 @@ logical function isKeyValue(line)
isKeyValue = .false.
if( .not. isKey(line) .and. index(IO_rmComment(line),':') > 0 .and. .not. isFlow(line)) then
if(index(IO_rmComment(line),': ') > 0) then
isKeyValue = .true.
else
call IO_error(704,ext_msg=line)
endif
if(index(IO_rmComment(line),': ') > 0) isKeyValue = .true.
endif
end function isKeyValue
@ -418,6 +414,7 @@ recursive subroutine keyValue_toFlow(flow,s_flow,line)
offset_value
col_pos = index(line,':')
if(line(col_pos+1:col_pos+1) /= ' ') call IO_error(704,ext_msg=line)
if(isFlow(line(col_pos+1:))) then
d_flow = len_trim(adjustl(line(:col_pos)))
flow(s_flow:s_flow+d_flow+1) = trim(adjustl(line(:col_pos)))//' '