Merge branch 'stainless-steel-config' into 'development'

Stainless steel config See merge request damask/DAMASK!948
damask-multiphysics · Jun 3, 2024 · 020b670 · 020b670
2 parents eb10712 + bd5122a
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diff --git a/PRIVATE b/PRIVATE
diff --git a/examples/config/phase/X2CrNi18-10.yaml b/examples/config/phase/X2CrNi18-10.yaml
@@ -0,0 +1,9 @@
+references:
+ - C.S. Kim,
+ Thermophysical properties of stainless steels,
+ Argonne National Laboratory, Argonne, Illinois, 1975,
+ https://doi.org/10.2172/4152287,
+ Eq. 16 (T=293.15K)
+
+lattice: cF
+rho: 7896.4
diff --git a/examples/config/phase/X2CrNiMo17-12-2.yaml b/examples/config/phase/X2CrNiMo17-12-2.yaml
@@ -0,0 +1,9 @@
+references:
+ - C.S. Kim,
+ Thermophysical properties of stainless steels,
+ Argonne National Laboratory, Argonne, Illinois, 1975,
+ https://doi.org/10.2172/4152287,
+ Eq. 18 (T=293.15K)
+
+lattice: cF
+rho: 7957.5
diff --git a/examples/config/phase/AISI304.yaml → examples/config/phase/X5CrNi18-10.yaml b/examples/config/phase/AISI304.yaml → examples/config/phase/X5CrNi18-10.yaml
diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_C35E.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_C35E.yaml
@@ -5,7 +5,7 @@ references:
  fit to image description (Scilab code)
 
 Alpha_11: 10.2e-6
-Alpha_11,T: 1.260e-08
+Alpha_11,T: 1.260e-8
 Alpha_11,T^2: -1.000e-11
 
 T_ref: 293.15
diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_Mg.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_Mg.yaml
@@ -7,11 +7,11 @@ references:
  fit to Fig. 1 (T_min=0°C, T_max=616°C)
 
 Alpha_11: 26.2e-6
-Alpha_11,T: 1.159e-08
+Alpha_11,T: 1.159e-8
 Alpha_11,T^2: 1.382e-11
 
 Alpha_33: 28.0e-6
-Alpha_33,T: 9.564e-09
+Alpha_33,T: 9.564e-9
 Alpha_33,T^2: 7.332e-12
 
 T_ref: 293.15
diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_Sn-beta.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_Sn-beta.yaml
@@ -7,11 +7,11 @@ references:
  fit to Tab. 2 (T_min=30ºC, T_max=210ºC)
 
 Alpha_11: 16.4e-6
-Alpha_11,T: 1.799e-08
+Alpha_11,T: 1.799e-8
 Alpha_11,T^2: 1.734e-10
 
 Alpha_33: 32.6e-6
-Alpha_33,T: 1.387e-08
+Alpha_33,T: 1.387e-8
 Alpha_33,T^2: 5.794e-10
 
 T_ref: 293.15
diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_X20Cr13.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_X20Cr13.yaml
@@ -5,6 +5,6 @@ references:
  fit to Scilab code for generating the image (T_min=100ºC, T_max=400ºC)
 
 Alpha_11: 10.1e-6
-Alpha_11,T: 5.000e-09
+Alpha_11,T: 5.0e-9
 
 T_ref: 293.15
diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_X2CrNi18-10.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_X2CrNi18-10.yaml
@@ -0,0 +1,14 @@
+type: thermalexpansion
+
+references:
+ - C.S. Kim,
+ Thermophysical properties of stainless steels,
+ Argonne National Laboratory, Argonne, Illinois, 1975,
+ https://doi.org/10.2172/4152287,
+ Eq. 22 (T_min=300K, T_max=1600K)
+
+Alpha_11: 14.1e-6
+Alpha_11,T: 5.279e-9
+Alpha_11,T^2: 7.238e-13
+
+T_ref: 293.15
diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_X2CrNiMo17-12-2.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_X2CrNiMo17-12-2.yaml
@@ -0,0 +1,14 @@
+type: thermalexpansion
+
+references:
+ - C.S. Kim,
+ Thermophysical properties of stainless steels,
+ Argonne National Laboratory, Argonne, Illinois, 1975,
+ https://doi.org/10.2172/4152287,
+ Eq. 24 (T_min=300K, T_max=1600K)
+
+Alpha_11: 18.6e-6
+Alpha_11,T: 2.589e-9
+Alpha_11,T^2: 3.269e-13
+
+T_ref: 293.15
diff --git a/...nical/eigen/thermalexpansion_AISI304.yaml → ...l/eigen/thermalexpansion_X5CrNi18-10.yaml b/...nical/eigen/thermalexpansion_AISI304.yaml → ...l/eigen/thermalexpansion_X5CrNi18-10.yaml
@@ -7,7 +7,7 @@ references:
  fit to Fig. 6 (T_min=100K, T_max=1200K)
 
 Alpha_11: 14.9e-6
-Alpha_11,T: 1.838e-08
+Alpha_11,T: 1.838e-8
 Alpha_11,T^2: -2.028e-11
 Alpha_11,T^3: 9.173e-15
 

diff --git a/...cal/elastic/Hooke_SAE1050-martensite.yaml → ...anical/elastic/Hooke_C50E-martensite.yaml b/...cal/elastic/Hooke_SAE1050-martensite.yaml → ...anical/elastic/Hooke_C50E-martensite.yaml
diff --git a/examples/config/phase/mechanical/elastic/Hooke_W-10at.%Re.yaml b/examples/config/phase/mechanical/elastic/Hooke_W-10at.%Re.yaml
@@ -7,15 +7,15 @@ references:
  fit to Table IV (T_min=100K, T_max=300K)
 
 C_11: 524.6e+9
-C_11,T: -5.783e+07
-C_11,T^2: -1.355e+05
+C_11,T: -5.783e+7
+C_11,T^2: -1.355e+5
 
 C_12: 219.0e+9
-C_12,T: 1.940e+07
-C_12,T^2: 7.634e+04
+C_12,T: 1.940e+7
+C_12,T^2: 7.634e+4
 
 C_44: 168.7e+9
-C_44,T: -2.048e+07
-C_44,T^2: -5.478e+04
+C_44,T: -2.048e+7
+C_44,T^2: -5.478e+4
 
 T_ref: 293.15
diff --git a/examples/config/phase/mechanical/elastic/Hooke_W-3at.%Re.yaml b/examples/config/phase/mechanical/elastic/Hooke_W-3at.%Re.yaml
@@ -7,15 +7,15 @@ references:
  fit to Table IV (T_min=100K, T_max=300K)
 
 C_11: 535.1e+9
-C_11,T: -6.459e+07
-C_11,T^2: -1.664e+05
+C_11,T: -6.459e+7
+C_11,T^2: -1.664e+5
 
 C_12: 216.1e+9
-C_12,T: 2.357e+07
-C_12,T^2: 5.186e+04
+C_12,T: 2.357e+7
+C_12,T^2: 5.186e+4
 
 C_44: 161.1e+9
-C_44,T: -1.498e+07
-C_44,T^2: -3.234e+04
+C_44,T: -1.498e+7
+C_44,T^2: -3.234e+4
 
 T_ref: 293.15
diff --git a/examples/config/phase/mechanical/elastic/Hooke_W.yaml b/examples/config/phase/mechanical/elastic/Hooke_W.yaml
@@ -7,12 +7,12 @@ references:
  fit to Tab. III (T_min=100K, T_max=300K)
 
 C_11: 524.3e+9
-C_11,T: -4.794e+07
+C_11,T: -4.794e+7
 
 C_12: 205.1e+9
-C_12,T: -2.836e+06
+C_12,T: -2.836e+6
 
 C_44: 160.7e+9
-C_44,T: -1.269e+07
+C_44,T: -1.269e+7
 
 T_ref: 293.15
diff --git a/examples/config/phase/mechanical/elastic/Hooke_X2CrNiMo17-12-2.yaml b/examples/config/phase/mechanical/elastic/Hooke_X2CrNiMo17-12-2.yaml
@@ -0,0 +1,18 @@
+type: Hooke
+
+references:
+ - J.-M. Scherer et al.,
+ Materials Science & Engineering A 900:146471, 2024,
+ https://doi.org/10.1016/j.msea.2024.146471,
+ Eq. (6-8) adjusted to T_ref=293.15K (T_min=20°C, T_max=300°C)
+
+C_11: 218.3e+9
+C_11,T: -5.13e+7
+
+C_12: 144.8e+9
+C_12,T: -2.77e+7
+
+C_44: 125.4e+9
+C_44,T: -3.08e+7
+
+T_ref: 293.15
diff --git a/...ase/mechanical/elastic/Hooke_AISI304.yaml → ...mechanical/elastic/Hooke_X5CrNi18-10.yaml b/...ase/mechanical/elastic/Hooke_AISI304.yaml → ...mechanical/elastic/Hooke_X5CrNi18-10.yaml
diff --git a/examples/config/phase/mechanical/elastic/Hooke_X6CrNiMo17-12-2.yaml b/examples/config/phase/mechanical/elastic/Hooke_X6CrNiMo17-12-2.yaml
@@ -0,0 +1,18 @@
+type: Hooke
+
+references:
+ - M.R. Daymond and P.J. Bouchard,
+ Metallurgical and Materials Transactions A 37:1863-1873, 2006,
+ https://doi.org/10.1007/s11661-006-0129-4,
+ fit to Fig. 6 (solid lines, T_min=0°C, T_max=600°C)
+
+C_11: 118.6e+9
+C_11,T: -5.491e+7
+
+C_12: 154.2e+9
+C_12,T: -6.059e+7
+
+C_44: 229.0e+9
+C_44,T: -1.058e+8
+
+T_ref: 293.15
diff --git a/examples/config/phase/mechanical/plastic/dislotungsten_W.yaml b/examples/config/phase/mechanical/plastic/dislotungsten_W.yaml
@@ -23,7 +23,7 @@ q_sl: [1.69]
 tau_Peierls: [2.03e+9]
 h: [2.566e-10]
 h_sl-sl: [0.009, 0.72, 0.009, 0.05, 0.05, 0.06, 0.09]
-w: [2.992e-09] # 11b
+w: [2.992e-9] # 11b
 
 # values in Cereceda et al. are high, using parameters from Gröger et al.
 a_non-Schmid: [[0.0, 0.56, 0.75]] # Tab. 2

diff --git a/examples/config/phase/mechanical/plastic/dislotwin_IN625.yaml b/examples/config/phase/mechanical/plastic/dislotwin_IN625.yaml
@@ -30,6 +30,6 @@ i_sl: [11.1]
 D_a: 4.0
 B: [0.001]
 Q_cl: 5.4e-19
-D: 1.08e-05
+D: 1.08e-5
 
 h_sl-sl: [0.122, 0.122, 0.82, 0.21, 0.32, 0.3, 0.41]
diff --git a/...echanical/plastic/kinehardening_317L.yaml → ...lastic/kinehardening_X2CrNiMo18-15-4.yaml b/...echanical/plastic/kinehardening_317L.yaml → ...lastic/kinehardening_X2CrNiMo18-15-4.yaml
diff --git a/examples/config/phase/thermal/AISI304.yaml b/examples/config/phase/thermal/AISI304.yaml
diff --git a/examples/config/phase/thermal/Al.yaml b/examples/config/phase/thermal/Al.yaml
@@ -7,7 +7,7 @@ references:
 
 output: [T]
 
-K_11: 2.374e+2
+K_11: 237.36
 K_11,T: 8.952e-3
 K_11,T^2: 2.650e-5
 K_11,T^3: -5.687e-7

diff --git a/examples/config/phase/thermal/Au.yaml b/examples/config/phase/thermal/Au.yaml
@@ -1,5 +1,5 @@
 references:
  - https://de.wikipedia.org/wiki/Gold
 
-C_p: 128.0
 K_11: 320.0
+C_p: 128.0
diff --git a/examples/config/phase/thermal/Fe.yaml b/examples/config/phase/thermal/Fe.yaml
@@ -7,7 +7,7 @@ references:
 
 output: [T]
 
-K_11: 8.034e+1
+K_11: 80.34
 K_11,T: -1.216e-1
 K_11,T^2: 1.327e-4
 K_11,T^3: -7.993e-8

diff --git a/examples/config/phase/thermal/Ni.yaml b/examples/config/phase/thermal/Ni.yaml
@@ -7,7 +7,7 @@ references:
 
 output: [T]
 
-K_11: 9.311e+1
+K_11: 93.11
 K_11,T: -8.719e-2
 K_11,T^2: -3.793e-4
 K_11,T^3: -4.003e-6

diff --git a/examples/config/phase/thermal/Si.yaml b/examples/config/phase/thermal/Si.yaml
@@ -3,5 +3,5 @@ references:
 
 output: [T]
 
-K_11: 1.50e+2
+K_11: 150.0
 C_p: 710.0
diff --git a/examples/config/phase/thermal/Sn-beta.yaml b/examples/config/phase/thermal/Sn-beta.yaml
@@ -7,13 +7,13 @@ references:
 
 output: [T]
 
-K_11: 7.495e+1
+K_11: 74.95
 K_11,T: -5.646e-2
 K_11,T^2: 1.420e-5
 K_11,T^3: -5.390e-7
 K_11,T^4: 4.012e-9
 
-K_33: 5.204e+1
+K_33: 52.04
 K_33,T: -3.940e-2
 K_33,T^2: 7.037e-6
 K_33,T^3: -3.738e-7

diff --git a/examples/config/phase/thermal/W.yaml b/examples/config/phase/thermal/W.yaml
@@ -7,7 +7,7 @@ references:
 
 output: [T]
 
-K_11: 1.750e+2
+K_11: 175.0
 K_11,T: -1.809e-1
 K_11,T^2: 2.257e-4
 K_11,T^3: -1.395e-7

diff --git a/examples/config/phase/thermal/X2CrNi18-10.yaml b/examples/config/phase/thermal/X2CrNi18-10.yaml
@@ -0,0 +1,14 @@
+references:
+ - C.S. Kim,
+ Thermophysical properties of stainless steels,
+ Argonne National Laboratory, Argonne, Illinois, 1975,
+ https://doi.org/10.2172/4152287,
+ Eq. 5 and Eq. 28 (T_min=300K, T_max=1600K)
+
+K_11: 12.86
+K_11,T: 1.618e-2
+
+C_p: 508.7
+C_p,T: 1.347e-1 # not implemented
+
+T_ref: 293.15
diff --git a/examples/config/phase/thermal/X2CrNiMo17-12-2.yaml b/examples/config/phase/thermal/X2CrNiMo17-12-2.yaml
@@ -0,0 +1,14 @@
+references:
+ - C.S. Kim,
+ Thermophysical properties of stainless steels,
+ Argonne National Laboratory, Argonne, Illinois, 1975,
+ https://doi.org/10.2172/4152287,
+ Eq. 7 and Eq. 30 (T_min=300K, T_max=1600K)
+
+K_11: 13.85
+K_11,T: 1.571e-2
+
+C_p: 497.7
+C_p,T: 1.327e-1 # not implemented
+
+T_ref: 293.15
diff --git a/examples/config/phase/thermal/X5CrNi18-10.yaml b/examples/config/phase/thermal/X5CrNi18-10.yaml
@@ -0,0 +1,10 @@
+references:
+ - B.F. Blackwell et al.,
+ Proceedings of 34th National Heat Transfer Conference 2000,
+ https://www.osti.gov/servlets/purl/760791
+ - R.H. Bogaard et al.,
+ Thermochimica Acta 218:373-393, 1993,
+ https://doi.org/10.1016/0040-6031(93)80437-F
+
+K_11: 14.34
+C_p: 470.0
diff --git a/examples/config/phase/thermal/adiabatic.yaml b/examples/config/phase/thermal/adiabatic.yaml
@@ -1,3 +1,3 @@
-C_p: 1
 K_11: 0
 K_33: 0
+C_p: 1
diff --git a/examples/config/phase/thermal/fast-convection.yaml b/examples/config/phase/thermal/fast-convection.yaml
@@ -1,3 +1,3 @@
-C_p: 1
 K_11: 1.e+30
 K_33: 1.e+30
+C_p: 1
diff --git a/examples/config/phase/thermal/steel-0.5C.yaml b/examples/config/phase/thermal/steel-0.5C.yaml
@@ -2,5 +2,5 @@ references:
  - 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
+C_p: 490.0