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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: references:
- en.wikipedia.org/wiki/Aluminium - https://en.wikipedia.org/wiki/Aluminium
lattice: cF lattice: cF
rho: 2700.0 rho: 2700.0

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

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

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

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

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

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

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

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

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

3
examples/config/phase/mechanical/eigen/thermalexpansion_C35E.yaml
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@ -1,6 +1,7 @@
type: thermalexpansion type: thermalexpansion
references: 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: 12.70371e-6
A_11,T: 7.54e-9 A_11,T: 7.54e-9
A_11,T^2: -1.0e-11 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 type: thermalexpansion
references: references:
- en.wikipedia.org/wiki/Thermal_expansion - https://en.wikipedia.org/wiki/Thermal_expansion
A_11: 17.e-6 A_11: 17.e-6
T_ref: 293.15 T_ref: 293.15

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

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

3
examples/config/phase/mechanical/eigen/thermalexpansion_X20Cr13.yaml
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@ -1,6 +1,7 @@
type: thermalexpansion type: thermalexpansion
references: 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: 11.365e-6
A_11,T: 5.0e-9 A_11,T: 5.0e-9
T_ref: 273.0 T_ref: 273.0

4
examples/config/phase/mechanical/elastic/Hooke_Al.yaml
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@ -1,8 +1,8 @@
type: Hooke type: Hooke
references: references:
- J. Vallin et al., - J. Vallin et al.,
Journal of Applied Physics 35(6)/1825-1826, 1964, Journal of Applied Physics 35(6):1825-1826, 1964,
10.1063/1.1713749 https://doi.org/10.1063/1.1713749
C_11: 107.3e+9 C_11: 107.3e+9
C_12: 60.8e+9 C_12: 60.8e+9
C_44: 28.3e+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 type: Hooke
references: 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_11: 168.3e+9
C_12: 122.1e+9 C_12: 122.1e+9
C_44: 75.7e+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 type: Hooke
references: references:
- D. Tromans, - D. Tromans,
International Journal of Recent Research and Applied Studies 6(4)/462-483, 2011, International Journal of Recent Research and Applied Studies 6(4):462-483, 2011,
www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf https://www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf
C_11: 59.3e+9 C_11: 59.3e+9
C_33: 61.5e+9 C_33: 61.5e+9
C_44: 16.4e+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 type: Hooke
references: references:
- D. Music et al., - D. Music et al.,
Applied Physics Letters 99(19)/191904, 2007, Applied Physics Letters 99(19):191904, 2007,
10.1063/1.2807677 https://doi.org/10.1063/1.2807677
- S.L. Wong et al., - S.L. Wong et al.,
Acta Materialia 118/140-151, 2016, Acta Materialia 118:140-151, 2016,
10.1016/j.actamat.2016.07.032 https://doi.org/10.1016/j.actamat.2016.07.032
C_11: 175.0e+9 C_11: 175.0e+9
C_12: 115.0e+9 C_12: 115.0e+9
C_44: 135.0e+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 type: Hooke
references: references:
- L. Wang et al., - L. Wang et al.,
Acta Materialia 132/598-610, 2017, Acta Materialia 132:598-610, 2017,
10.1016/j.actamat.2017.05.015 https://doi.org/10.1016/j.actamat.2017.05.015
C_11: 162.4e+9 C_11: 162.4e+9
C_33: 181.6e+9 C_33: 181.6e+9
C_44: 47.2e+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 type: Hooke
references: references:
- D. Cereceda et al., - D. Cereceda et al.,
International Journal of Plasticity 78/242-265, 2016, International Journal of Plasticity 78:242-265, 2016,
10.1016/j.ijplas.2015.09.002 https://doi.org/10.1016/j.ijplas.2015.09.002
C_11: 523.e+9 C_11: 523.e+9
C_12: 202.e+9 C_12: 202.e+9
C_44: 161.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 type: Hooke
references: references:
- T. Maiti and P. Eisenlohr, - T. Maiti and P. Eisenlohr,
Scripta Materialia 145/37-40, 2018, Scripta Materialia 145:37-40, 2018,
10.1016/j.scriptamat.2017.09.047 https://doi.org/10.1016/j.scriptamat.2017.09.047
C_11: 1.e+8 C_11: 1.e+8
C_12: 1.e+6 C_12: 1.e+6
C_44: 4.95e+7 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 type: dislotwin
references: references:
- K. Sedighiani et al., - K. Sedighiani et al.,
International Journal of Plasticity 134/102779, 2020, International Journal of Plasticity 134:102779, 2020,
10.1016/j.ijplas.2020.102779 https://doi.org/10.1016/j.ijplas.2020.102779
- K. Sedighiani et al., - K. Sedighiani et al.,
Mechanics of Materials, submitted Mechanics of Materials, submitted
output: [rho_dip, rho_mob] 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 type: isotropic
references: references:
- T. Maiti and P. Eisenlohr, - T. Maiti and P. Eisenlohr,
Scripta Materialia 145/37-40, 2018, Scripta Materialia 145:37-40, 2018,
10.1016/j.scriptamat.2017.09.047 https://doi.org/10.1016/j.scriptamat.2017.09.047
output: [xi] output: [xi]
dot_gamma_0: 0.001 dot_gamma_0: 0.001
n: 20. n: 20.

3
examples/config/phase/mechanical/plastic/nonlocal_Al.yaml
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@ -2,7 +2,8 @@ type: nonlocal
references: references:
C. Kords, C. Kords,
On the role of dislocation transport in the constitutive description of crystal plasticity, 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] 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] N_sl: [12]

3
examples/config/phase/mechanical/plastic/nonlocal_Ni.yaml
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@ -2,7 +2,8 @@ type: nonlocal
references: references:
C. Kords, C. Kords,
On the role of dislocation transport in the constitutive description of crystal plasticity, 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] 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] N_sl: [12]

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

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

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

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

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

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

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

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

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

2
examples/config/phase/thermal/W.yaml
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@ -1,4 +1,4 @@
references: references:
- www.mit.edu/~6.777/matprops/tungsten.htm - https://www.mit.edu/~6.777/matprops/tungsten.htm
C_p: 132.51 C_p: 132.51
K_11: 178.0 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. isKeyValue = .false.
if( .not. isKey(line) .and. index(IO_rmComment(line),':') > 0 .and. .not. isFlow(line)) then if( .not. isKey(line) .and. index(IO_rmComment(line),':') > 0 .and. .not. isFlow(line)) then
if(index(IO_rmComment(line),': ') > 0) then if(index(IO_rmComment(line),': ') > 0) isKeyValue = .true.
isKeyValue = .true.
else
call IO_error(704,ext_msg=line)
endif
endif endif
end function isKeyValue end function isKeyValue
@ -418,6 +414,7 @@ recursive subroutine keyValue_toFlow(flow,s_flow,line)
offset_value offset_value
col_pos = index(line,':') 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 if(isFlow(line(col_pos+1:))) then
d_flow = len_trim(adjustl(line(:col_pos))) d_flow = len_trim(adjustl(line(:col_pos)))
flow(s_flow:s_flow+d_flow+1) = trim(adjustl(line(:col_pos)))//' ' flow(s_flow:s_flow+d_flow+1) = trim(adjustl(line(:col_pos)))//' '