223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

polishing

This commit is contained in:
Martin Diehl 2022-02-12 18:41:59 +01:00
parent cdabdb9882
commit 4d808335de
57 changed files with 156 additions and 32 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

5
examples/config/phase/AISI304.yaml
View File

@ -1,6 +1,7 @@
references: references:
- H.M. Ledbetter - H.M. Ledbetter,
physica status solidi (a) 85(1):89-96, 1984 physica status solidi (a) 85(1):89-96, 1984,
https://doi.org/10.1002/pssa.2210850111 https://doi.org/10.1002/pssa.2210850111
lattice: cF lattice: cF
rho: 7937.0 rho: 7937.0

1
examples/config/phase/Ag.yaml
View File

@ -1,4 +1,5 @@
references: references:
- https://en.wikipedia.org/wiki/Silver - https://en.wikipedia.org/wiki/Silver
lattice: cF lattice: cF
rho: 10490.0 rho: 10490.0

1
examples/config/phase/Al.yaml
View File

@ -1,4 +1,5 @@
references: references:
- https://en.wikipedia.org/wiki/Aluminium - https://en.wikipedia.org/wiki/Aluminium
lattice: cF lattice: cF
rho: 2700.0 rho: 2700.0

1
examples/config/phase/Au.yaml
View File

@ -1,4 +1,5 @@
references: references:
- https://en.wikipedia.org/wiki/Gold - https://en.wikipedia.org/wiki/Gold
lattice: cF lattice: cF
rho: 19300.0 rho: 19300.0

1
examples/config/phase/Cu.yaml
View File

@ -1,4 +1,5 @@
references: references:
- https://en.wikipedia.org/wiki/Copper - https://en.wikipedia.org/wiki/Copper
lattice: cF lattice: cF
rho: 8960.0 rho: 8960.0

1
examples/config/phase/Fe.yaml
View File

@ -1,4 +1,5 @@
references: references:
- https://en.wikipedia.org/wiki/Iron - https://en.wikipedia.org/wiki/Iron
lattice: cI lattice: cI
rho: 7874.0 rho: 7874.0

1
examples/config/phase/Mg.yaml
View File

@ -2,6 +2,7 @@ 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,
https://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

1
examples/config/phase/Ni.yaml
View File

@ -1,4 +1,5 @@
references: references:
- https://en.wikipedia.org/wiki/Nickel - https://en.wikipedia.org/wiki/Nickel
lattice: cF lattice: cF
rho: 8908.0 rho: 8908.0

1
examples/config/phase/Sn-beta.yaml
View File

@ -3,6 +3,7 @@ references:
Physical Review 120(5):1658-1663, 1960, Physical Review 120(5):1658-1663, 1960,
https://doi.org/10.1103/PhysRev.120.1658 https://doi.org/10.1103/PhysRev.120.1658
- https://en.wikipedia.org/wiki/Tin - https://en.wikipedia.org/wiki/Tin
lattice: tI lattice: tI
c/a: 0.5458 # T=300K (c=31.83nm, a=5.832nm) c/a: 0.5458 # T=300K (c=31.83nm, a=5.832nm)
rho: 7265.0 rho: 7265.0

1
examples/config/phase/Ti.yaml
View File

@ -1,6 +1,7 @@
references: references:
- https://www.totalmateria.com/page.aspx?ID=CheckArticle&site=ktn&NM=221 - https://www.totalmateria.com/page.aspx?ID=CheckArticle&site=ktn&NM=221
- https://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

1
examples/config/phase/W.yaml
View File

@ -1,4 +1,5 @@
references: references:
- https://en.wikipedia.org/wiki/Tungsten - https://en.wikipedia.org/wiki/Tungsten
lattice: cI lattice: cI
rho: 19300.0 rho: 19300.0

6
examples/config/phase/damage/anisobrittle_cubic.yaml
View File

@ -1,11 +1,13 @@
type: anisobrittle type: anisobrittle
output: [f_phi]
N_cl: [3] N_cl: [3]
g_crit: [0.5e+7] g_crit: [0.5e+7]
s_crit: [0.006666] s_crit: [0.006666]
dot_o: 1.e-3 dot_o: 1.e-3
q: 20 q: 20
output: [f_phi]
D_11: 1.0 D_11: 1.0
mu: 0.001 mu: 0.001

2
examples/config/phase/damage/isobrittle_generic.yaml
View File

@ -1,7 +1,7 @@
type: isobrittle type: isobrittle
W_crit: 1400000.0
output: [f_phi] output: [f_phi]
W_crit: 1400000.0
D_11: 1.0 D_11: 1.0
mu: 0.001 mu: 0.001

6
examples/config/phase/mechanical/eigen/thermalexpansion_AISI304.yaml
View File

@ -1,7 +1,9 @@
type: thermalexpansion type: thermalexpansion
references: references:
- R.H. Bogaard et al. - R.H. Bogaard et al.,
Thermochimica Acta 218:373-393, 1993 Thermochimica Acta 218:373-393, 1993,
https://doi.org/10.1016/0040-6031(93)80437-F https://doi.org/10.1016/0040-6031(93)80437-F
A_11: 15.0e-6 A_11: 15.0e-6
T_ref: 300.0 T_ref: 300.0

2
examples/config/phase/mechanical/eigen/thermalexpansion_Al.yaml
View File

@ -1,5 +1,7 @@
type: thermalexpansion type: thermalexpansion
references: references:
- https://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
View File

@ -1,5 +1,7 @@
type: thermalexpansion type: thermalexpansion
references: references:
- https://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

5
examples/config/phase/mechanical/eigen/thermalexpansion_C35E.yaml
View File

@ -1,8 +1,11 @@
type: thermalexpansion type: thermalexpansion
references: references:
- https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg, - https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg,
fitted from image description (Scilab code) fit to 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
T_ref: 273.0 T_ref: 273.0

2
examples/config/phase/mechanical/eigen/thermalexpansion_Cu.yaml
View File

@ -1,5 +1,7 @@
type: thermalexpansion type: thermalexpansion
references: references:
- https://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
View File

@ -1,5 +1,7 @@
type: thermalexpansion type: thermalexpansion
references: references:
- https://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

6
examples/config/phase/mechanical/eigen/thermalexpansion_Sn-beta.yaml
View File

@ -1,13 +1,17 @@
type: thermalexpansion type: thermalexpansion
references: references:
- V.T. Deshpande and D.B. Sirdeshmukh, - V.T. Deshpande and D.B. Sirdeshmukh,
Acta Crystallographica 15:294-295, 1962, Acta Crystallographica 15:294-295, 1962,
https://doi.org/10.1107/S0365110X62000742, https://doi.org/10.1107/S0365110X62000742,
fitted from Tab. 2 fit to Tab. 2
A_11: 1.639e-05 A_11: 1.639e-05
A_11,T: 1.799e-08 A_11,T: 1.799e-08
A_11,T^2: 1.734e-10 A_11,T^2: 1.734e-10
A_33: 3.263e-05 A_33: 3.263e-05
A_33,T: 1.387e-08 A_33,T: 1.387e-08
A_33,T^2: 5.794e-10 A_33,T^2: 5.794e-10
T_ref: 293.15 T_ref: 293.15

2
examples/config/phase/mechanical/eigen/thermalexpansion_W.yaml
View File

@ -1,5 +1,7 @@
type: thermalexpansion type: thermalexpansion
references: references:
- https://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

7
examples/config/phase/mechanical/eigen/thermalexpansion_X20Cr13.yaml
View File

@ -1,7 +1,10 @@
type: thermalexpansion type: thermalexpansion
references: references:
- https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg - https://commons.wikimedia.org/wiki/File:Coefficient_dilatation_lineique_aciers.svg,
fitted from image description (Scilab code) fit to 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

6
examples/config/phase/mechanical/elastic/Hooke_AISI304.yaml
View File

@ -1,8 +1,10 @@
type: Hooke type: Hooke
references: references:
- H.M. Ledbetter - H.M. Ledbetter,
physica status solidi (a) 85(1):89-96, 1984 physica status solidi (a) 85(1):89-96, 1984,
https://doi.org/10.1002/pssa.2210850111 https://doi.org/10.1002/pssa.2210850111
C_11: 204.6e+9 C_11: 204.6e+9
C_12: 137.7e+9 C_12: 137.7e+9
C_44: 126.2e+9 C_44: 126.2e+9

5
examples/config/phase/mechanical/elastic/Hooke_Ag.yaml
View File

@ -1,4 +1,5 @@
type: Hooke type: Hooke
references: references:
- J.R. Neighbours and G.A. Alers, - J.R. Neighbours and G.A. Alers,
Physical Review 111:707-712, 1958, Physical Review 111:707-712, 1958,
@ -7,8 +8,6 @@ references:
Journal of Applied Physics 37:3567-3572, 1966, Journal of Applied Physics 37:3567-3572, 1966,
https://doi.org/10.1063/1.1708903 https://doi.org/10.1063/1.1708903
T_ref: 300
C_11: 122.9e+9 C_11: 122.9e+9
C_11,T: -313.5e+5 C_11,T: -313.5e+5
C_11,T^2: -107.3e+2 C_11,T^2: -107.3e+2
@ -20,3 +19,5 @@ C_12,T^2: -681.6e+1
C_44: 42.63e+9 C_44: 42.63e+9
C_44,T: -180.5e+5 C_44,T: -180.5e+5
C_44,T^2: -353.8e+1 C_44,T^2: -353.8e+1
T_ref: 300

5
examples/config/phase/mechanical/elastic/Hooke_Al.yaml
View File

@ -1,4 +1,5 @@
type: Hooke type: Hooke
references: references:
- G.N. Kamm and G.A. Alers, - G.N. Kamm and G.A. Alers,
Journal of Applied Physics 35:327-330, 1964, Journal of Applied Physics 35:327-330, 1964,
@ -7,8 +8,6 @@ references:
Journal of Physics and Chemistry of Solids 30:1197-1205, 1969 Journal of Physics and Chemistry of Solids 30:1197-1205, 1969
https://doi.org/10.1016/0022-3697(69)90377-1 https://doi.org/10.1016/0022-3697(69)90377-1
T_ref: 300
C_11: 106.1e+9 C_11: 106.1e+9
C_11,T: -359.3e+5 C_11,T: -359.3e+5
C_11,T^2: -152.7e+2 C_11,T^2: -152.7e+2
@ -20,3 +19,5 @@ C_12,T^2: -551.3e+1
C_44: 24.31e+9 C_44: 24.31e+9
C_44,T: -142.9e+5 C_44,T: -142.9e+5
C_44,T^2: -404.6e+1 C_44,T^2: -404.6e+1
T_ref: 300

2
examples/config/phase/mechanical/elastic/Hooke_Au.yaml
View File

@ -1,9 +1,11 @@
type: Hooke type: Hooke
references: references:
- J.P. Hirth and J. Lothe, - J.P. Hirth and J. Lothe,
Theory of Dislocations, 1982, Theory of Dislocations, 1982,
John Wiley & Sons, John Wiley & Sons,
page 837 page 837
C_11: 186.e+9 C_11: 186.e+9
C_12: 157.e+9 C_12: 157.e+9
C_44: 42.e+9 C_44: 42.e+9

2
examples/config/phase/mechanical/elastic/Hooke_Cu.yaml
View File

@ -1,7 +1,9 @@
type: Hooke type: Hooke
references: references:
- https://www.mit.edu/~6.777/matprops/copper.htm, - https://www.mit.edu/~6.777/matprops/copper.htm,
fixed typo 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

5
examples/config/phase/mechanical/elastic/Hooke_Fe.yaml
View File

@ -1,11 +1,10 @@
type: Hooke type: Hooke
references: references:
- D.J. Dever, - D.J. Dever,
Journal of Applied Physics 43(8):3293-3301, 1972, Journal of Applied Physics 43(8):3293-3301, 1972,
https://doi.org/10.1063/1.1661710 https://doi.org/10.1063/1.1661710
T_ref: 300
C_11: 231.7e+9 C_11: 231.7e+9
C_11,T: -47.6e+6 C_11,T: -47.6e+6
C_11,T^2: -54.4e+3 C_11,T^2: -54.4e+3
@ -17,3 +16,5 @@ C_12,T^2: -7.3e+3
C_44: 116.8e+9 C_44: 116.8e+9
C_44,T: -19.4e+6 C_44,T: -19.4e+6
C_44,T^2: -2.5e+3 C_44,T^2: -2.5e+3
T_ref: 300

2
examples/config/phase/mechanical/elastic/Hooke_Mg.yaml
View File

@ -1,8 +1,10 @@
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,
https://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

2
examples/config/phase/mechanical/elastic/Hooke_Ni.yaml
View File

@ -1,9 +1,11 @@
type: Hooke type: Hooke
references: references:
- J.P. Hirth and J. Lothe, - J.P. Hirth and J. Lothe,
Theory of Dislocations, 1982, Theory of Dislocations, 1982,
John Wiley & Sons, John Wiley & Sons,
page 837 page 837
C_11: 246.5e+9 C_11: 246.5e+9
C_12: 147.3e+9 C_12: 147.3e+9
C_44: 124.7e+9 C_44: 124.7e+9

2
examples/config/phase/mechanical/elastic/Hooke_SAE1050-martensite.yaml
View File

@ -1,8 +1,10 @@
type: Hooke type: Hooke
references: references:
- S.A. Kim and W.L. Johnson, - S.A. Kim and W.L. Johnson,
Materials Science & Engineering A 452-453:633-639, 2007, Materials Science & Engineering A 452-453:633-639, 2007,
https://doi.org/10.1016/j.msea.2006.11.147 https://doi.org/10.1016/j.msea.2006.11.147
C_11: 268.1e+9 C_11: 268.1e+9
C_12: 111.2e+9 C_12: 111.2e+9
C_44: 79.06e+9 C_44: 79.06e+9

10
examples/config/phase/mechanical/elastic/Hooke_Sn-beta.yaml
View File

@ -1,25 +1,33 @@
type: Hooke type: Hooke
references: references:
- J.A. Rayne and B.S. Chandrasekhar, - J.A. Rayne and B.S. Chandrasekhar,
Physical Review 120(5):1658-1663, 1960, Physical Review 120(5):1658-1663, 1960,
https://doi.org/10.1103/PhysRev.120.1658, https://doi.org/10.1103/PhysRev.120.1658,
fitted from Fig. 2 and Tab. IV (C_13) fit to Fig. 2 and Tab. IV (C_13)
C_11: 72.89e+9 C_11: 72.89e+9
C_11,T: -4.479e+7 C_11,T: -4.479e+7
C_11,T^2: -3.149e+4 C_11,T^2: -3.149e+4
C_12: 59.27e+9 C_12: 59.27e+9
C_12,T: 1.110e+7 C_12,T: 1.110e+7
C_12,T^2: 1.300e+4 C_12,T^2: 1.300e+4
C_13: 35.97e+9 C_13: 35.97e+9
C_13,T: -2.638e+7 C_13,T: -2.638e+7
C_13,T^2: -1.123e+5 C_13,T^2: -1.123e+5
C_33: 88.77e+10 C_33: 88.77e+10
C_33,T: -5.361e+7 C_33,T: -5.361e+7
C_33,T^2: -2.770e+3 C_33,T^2: -2.770e+3
C_44: 22.26e+9 C_44: 22.26e+9
C_44,T: -1.994e+7 C_44,T: -1.994e+7
C_44,T^2: -9.519e+3 C_44,T^2: -9.519e+3
C_66: 24.17e+9 C_66: 24.17e+9
C_66,T: -1.919e+7 C_66,T: -1.919e+7
C_66,T^2: -1.161e+4 C_66,T^2: -1.161e+4
T_ref: 293.15 T_ref: 293.15

2
examples/config/phase/mechanical/elastic/Hooke_TWIP-steel.yaml
View File

@ -1,4 +1,5 @@
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,
@ -6,6 +7,7 @@ references:
- S.L. Wong et al., - S.L. Wong et al.,
Acta Materialia 118:140-151, 2016, Acta Materialia 118:140-151, 2016,
https://doi.org/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

2
examples/config/phase/mechanical/elastic/Hooke_Ti.yaml
View File

@ -1,8 +1,10 @@
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,
https://doi.org/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

2
examples/config/phase/mechanical/elastic/Hooke_W.yaml
View File

@ -1,8 +1,10 @@
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,
https://doi.org/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

2
examples/config/phase/mechanical/elastic/Hooke_vanishing-Poisson-ratio.yaml
View File

@ -1,8 +1,10 @@
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,
https://doi.org/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/dislotungsten_W.yaml
View File

@ -1,4 +1,5 @@
type: dislotungsten type: dislotungsten
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,
@ -6,8 +7,11 @@ references:
- R. Gröger et al., - R. Gröger et al.,
Acta Materialia 56(19):5412-5425, 2008, Acta Materialia 56(19):5412-5425, 2008,
https://doi.org/10.1016/j.actamat.2008.07.037 https://doi.org/10.1016/j.actamat.2008.07.037
output: [Lambda_sl] output: [Lambda_sl]
N_sl: [12] N_sl: [12]
b_sl: [2.72e-10] b_sl: [2.72e-10]
rho_mob_0: [1.0e+9] # estimated from section 3.2 rho_mob_0: [1.0e+9] # estimated from section 3.2
rho_dip_0: [1.0] # not given rho_dip_0: [1.0] # not given

4
examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml
View File

@ -1,4 +1,5 @@
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,
@ -6,8 +7,11 @@ references:
- K. Sedighiani et al., - K. Sedighiani et al.,
Mechanics of Materials, 164:104117, 2022, Mechanics of Materials, 164:104117, 2022,
https://doi.org/10.1016/j.mechmat.2021.104117 https://doi.org/10.1016/j.mechmat.2021.104117
output: [rho_dip, rho_mob] output: [rho_dip, rho_mob]
N_sl: [12, 12] N_sl: [12, 12]
b_sl: [2.49e-10, 2.49e-10] b_sl: [2.49e-10, 2.49e-10]
rho_mob_0: [2.81e12, 2.8e+12] rho_mob_0: [2.81e12, 2.8e+12]
rho_dip_0: [1.0, 1.0] # not given rho_dip_0: [1.0, 1.0] # not given

3
examples/config/phase/mechanical/plastic/isotropic_free-surface.yaml
View File

@ -1,9 +1,12 @@
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,
https://doi.org/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.
xi_0: 0.3e+6 xi_0: 0.3e+6

11
examples/config/phase/mechanical/plastic/nonlocal_Al.yaml
View File

@ -1,10 +1,13 @@
type: nonlocal 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 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]
b_sl: [2.86e-10] b_sl: [2.86e-10]

11
examples/config/phase/mechanical/plastic/nonlocal_Ni.yaml
View File

@ -1,10 +1,13 @@
type: nonlocal 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 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]
b_sl: [2.48e-10] b_sl: [2.48e-10]

4
examples/config/phase/mechanical/plastic/phenopowerlaw_Al.yaml
View File

@ -1,4 +1,5 @@
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,
@ -7,8 +8,11 @@ references:
- U.F. Kocks, - U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970, Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224 https://doi.org/10.1007/BF02900224
output: [xi_sl, gamma_sl] output: [xi_sl, gamma_sl]
N_sl: [12] N_sl: [12]
n_sl: 20 n_sl: 20
a_sl: 3.1 a_sl: 3.1
h_0_sl-sl: 1.7e+8 h_0_sl-sl: 1.7e+8

4
examples/config/phase/mechanical/plastic/phenopowerlaw_Au.yaml
View File

@ -1,4 +1,5 @@
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,
@ -9,8 +10,11 @@ references:
- U.F. Kocks, - U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970, Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224 https://doi.org/10.1007/BF02900224
output: [xi_sl, gamma_sl] output: [xi_sl, gamma_sl]
N_sl: [12] N_sl: [12]
n_sl: 83.3 n_sl: 83.3
a_sl: 1.0 a_sl: 1.0
h_0_sl-sl: 75.0e+6 h_0_sl-sl: 75.0e+6

4
examples/config/phase/mechanical/plastic/phenopowerlaw_Cu.yaml
View File

@ -1,4 +1,5 @@
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,
@ -7,8 +8,11 @@ references:
- U.F. Kocks, - U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970, Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224 https://doi.org/10.1007/BF02900224
output: [xi_sl, gamma_sl] output: [xi_sl, gamma_sl]
N_sl: [12] N_sl: [12]
n_sl: 20 n_sl: 20
a_sl: 1.0 a_sl: 1.0
h_0_sl-sl: 2.4e+8 h_0_sl-sl: 2.4e+8

4
examples/config/phase/mechanical/plastic/phenopowerlaw_DP-steel-ferrite.yaml
View File

@ -1,4 +1,5 @@
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,
@ -6,8 +7,11 @@ references:
- U.F. Kocks, - U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970, Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224 https://doi.org/10.1007/BF02900224
output: [xi_sl, gamma_sl] output: [xi_sl, gamma_sl]
N_sl: [12, 12] N_sl: [12, 12]
n_sl: 20 n_sl: 20
a_sl: 2.25 a_sl: 2.25
h_0_sl-sl: 1.0e+9 h_0_sl-sl: 1.0e+9

1
examples/config/phase/mechanical/plastic/phenopowerlaw_Mg.yaml
View File

@ -1,4 +1,5 @@
type: phenopowerlaw type: phenopowerlaw
references: references:
- F. Wang et al., - F. Wang et al.,
Acta Materialia 80:77-93, 2014, Acta Materialia 80:77-93, 2014,

4
examples/config/phase/mechanical/plastic/phenopowerlaw_Sn-beta.yaml
View File

@ -1,10 +1,14 @@
type: phenopowerlaw type: phenopowerlaw
references: references:
- A. Chakraborty and P. Eisenlohr, - A. Chakraborty and P. Eisenlohr,
Journal of Applied Physics 124:025302, 2018, Journal of Applied Physics 124:025302, 2018,
https://doi.org/10.1063/1.5029933 https://doi.org/10.1063/1.5029933
output: [xi_sl, gamma_sl] output: [xi_sl, gamma_sl]
N_sl: [2, 2, 2, 4, 2, 4, 2, 2, 4, 0, 0, 8] N_sl: [2, 2, 2, 4, 2, 4, 2, 2, 4, 0, 0, 8]
n_sl: 6.0 n_sl: 6.0
a_sl: 2.0 a_sl: 2.0
h_0_sl-sl: 20.0e+6 h_0_sl-sl: 20.0e+6

3
examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml
View File

@ -1,4 +1,5 @@
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,
@ -6,9 +7,11 @@ references:
- L. Wang et al., - L. Wang et al.,
Acta Materialia 132:598-610, 2017, Acta Materialia 132:598-610, 2017,
https://doi.org/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, 12] # basal, prism, -, 1. pyr<c+a> N_sl: [3, 3, 0, 12] # basal, prism, -, 1. pyr<c+a>
n_sl: 20 n_sl: 20
a_sl: 2.0 a_sl: 2.0
dot_gamma_0_sl: 0.001 dot_gamma_0_sl: 0.001

1
examples/config/phase/thermal/AISI304.yaml
View File

@ -5,5 +5,6 @@ references:
- R.H. Bogaard et al. - R.H. Bogaard et al.
Thermochimica Acta 218:373-393, 1993 Thermochimica Acta 218:373-393, 1993
https://doi.org/10.1016/0040-6031(93)80437-F https://doi.org/10.1016/0040-6031(93)80437-F
C_p: 470.0 C_p: 470.0
K_11: 14.34 K_11: 14.34

5
examples/config/phase/thermal/Al.yaml
View File

@ -2,10 +2,13 @@ references:
- J.G. Hust and A.B. Lankford, - J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point, Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984, US Department of Commerce, Boulder, Colorado, 1984,
fitted to Tab. 3.4.1 (RRR=1000, T_min=200K, T_max=900K) fit to Tab. 3.4.1 (RRR=1000, T_min=200K, T_max=900K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
K_11: 2.380e+02 K_11: 2.380e+02
K_11,T: 2.068e-03 K_11,T: 2.068e-03
K_11,T^2: -7.765e-05 K_11,T^2: -7.765e-05
T_ref: 293.15 T_ref: 293.15
C_p: 910.0 C_p: 910.0

1
examples/config/phase/thermal/Au.yaml
View File

@ -1,4 +1,5 @@
references: references:
- https://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

5
examples/config/phase/thermal/Cu.yaml
View File

@ -2,10 +2,13 @@ references:
- J.G. Hust and A.B. Lankford, - J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point, Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984, US Department of Commerce, Boulder, Colorado, 1984,
fitted to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K) fit to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K)
- https://www.mit.edu/~6.777/matprops/copper.htm - https://www.mit.edu/~6.777/matprops/copper.htm
K_11: 4.039e+02 K_11: 4.039e+02
K_11,T: -8.119e-02 K_11,T: -8.119e-02
K_11,T^2: 1.454e-05 K_11,T^2: 1.454e-05
T_ref: 293.15 T_ref: 293.15
C_p: 385.0 C_p: 385.0

5
examples/config/phase/thermal/Fe.yaml
View File

@ -2,10 +2,13 @@ references:
- J.G. Hust and A.B. Lankford, - J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point, Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984, US Department of Commerce, Boulder, Colorado, 1984,
fitted to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K) fit to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K)
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
K_11: 8.055e+01 K_11: 8.055e+01
K_11,T: -1.051e-01 K_11,T: -1.051e-01
K_11,T^2: 5.464e-05 K_11,T^2: 5.464e-05
T_ref: 293.15 T_ref: 293.15
C_p: 450.0 C_p: 450.0

5
examples/config/phase/thermal/W.yaml
View File

@ -2,10 +2,13 @@ references:
- J.G. Hust and A.B. Lankford, - J.G. Hust and A.B. Lankford,
Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point, Thermal Conductivity of Aluminum, Copper, Iron, and Tungsten from 1K to the Melting Point,
US Department of Commerce, Boulder, Colorado, 1984, US Department of Commerce, Boulder, Colorado, 1984,
fitted to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K) fit to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K)
- https://www.mit.edu/~6.777/matprops/tungsten.htm - https://www.mit.edu/~6.777/matprops/tungsten.htm
K_11: 1.758e+02 K_11: 1.758e+02
K_11,T: -1.605e-01 K_11,T: -1.605e-01
K_11,T^2: 1.160e-04 K_11,T^2: 1.160e-04
T_ref: 293.15 T_ref: 293.15
C_p: 132.51 C_p: 132.51

1
examples/config/phase/thermal/source/dissipation_generic.yaml
View File

@ -1,2 +1,3 @@
type: dissipation type: dissipation
kappa: .9 kappa: .9

1
examples/config/phase/thermal/source/externalheat_ramp-and-hold.yaml
View File

@ -1,3 +1,4 @@
type: externalheat type: externalheat
f_T: [1, 1, 0, 0] f_T: [1, 1, 0, 0]
t_n: [0, 500, 500.001, 1000] t_n: [0, 500, 500.001, 1000]

1
examples/config/phase/thermal/steel-0.5C.yaml
View File

@ -1,5 +1,6 @@
references: references:
- https://www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html - https://www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html
- https://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