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Merge branch 'stainless-steel-config' into 'development'
Stainless steel config See merge request damask/DAMASK!948
2 parents eb10712 + bd5122a commit 020b670

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‎PRIVATE

‎examples/config/phase/X2CrNi18-10.yaml

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references:
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- C.S. Kim,
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Thermophysical properties of stainless steels,
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Argonne National Laboratory, Argonne, Illinois, 1975,
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https://doi.org/10.2172/4152287,
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Eq. 16 (T=293.15K)
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lattice: cF
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rho: 7896.4

‎examples/config/phase/X2CrNiMo17-12-2.yaml

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references:
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- C.S. Kim,
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Thermophysical properties of stainless steels,
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Argonne National Laboratory, Argonne, Illinois, 1975,
5+
https://doi.org/10.2172/4152287,
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Eq. 18 (T=293.15K)
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lattice: cF
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rho: 7957.5

‎examples/config/phase/AISI304.yaml ‎examples/config/phase/X5CrNi18-10.yaml

File renamed without changes.

‎examples/config/phase/mechanical/eigen/thermalexpansion_C35E.yaml

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fit to image description (Scilab code)
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Alpha_11: 10.2e-6
8-
Alpha_11,T: 1.260e-08
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Alpha_11,T: 1.260e-8
99
Alpha_11,T^2: -1.000e-11
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1111
T_ref: 293.15

‎examples/config/phase/mechanical/eigen/thermalexpansion_Mg.yaml

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fit to Fig. 1 (T_min=0°C, T_max=616°C)
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Alpha_11: 26.2e-6
10-
Alpha_11,T: 1.159e-08
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Alpha_11,T: 1.159e-8
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Alpha_11,T^2: 1.382e-11
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Alpha_33: 28.0e-6
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Alpha_33,T: 9.564e-09
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Alpha_33,T: 9.564e-9
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Alpha_33,T^2: 7.332e-12
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T_ref: 293.15

‎examples/config/phase/mechanical/eigen/thermalexpansion_Sn-beta.yaml

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fit to Tab. 2 (T_min=30ºC, T_max=210ºC)
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Alpha_11: 16.4e-6
10-
Alpha_11,T: 1.799e-08
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Alpha_11,T: 1.799e-8
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Alpha_11,T^2: 1.734e-10
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Alpha_33: 32.6e-6
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Alpha_33,T: 1.387e-08
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Alpha_33,T: 1.387e-8
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Alpha_33,T^2: 5.794e-10
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T_ref: 293.15

‎examples/config/phase/mechanical/eigen/thermalexpansion_X20Cr13.yaml

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fit to Scilab code for generating the image (T_min=100ºC, T_max=400ºC)
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Alpha_11: 10.1e-6
8-
Alpha_11,T: 5.000e-09
8+
Alpha_11,T: 5.0e-9
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T_ref: 293.15

‎examples/config/phase/mechanical/eigen/thermalexpansion_X2CrNi18-10.yaml

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type: thermalexpansion
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references:
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- C.S. Kim,
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Thermophysical properties of stainless steels,
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Argonne National Laboratory, Argonne, Illinois, 1975,
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https://doi.org/10.2172/4152287,
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Eq. 22 (T_min=300K, T_max=1600K)
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10+
Alpha_11: 14.1e-6
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Alpha_11,T: 5.279e-9
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Alpha_11,T^2: 7.238e-13
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T_ref: 293.15

‎examples/config/phase/mechanical/eigen/thermalexpansion_X2CrNiMo17-12-2.yaml

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type: thermalexpansion
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references:
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- C.S. Kim,
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Thermophysical properties of stainless steels,
6+
Argonne National Laboratory, Argonne, Illinois, 1975,
7+
https://doi.org/10.2172/4152287,
8+
Eq. 24 (T_min=300K, T_max=1600K)
9+
10+
Alpha_11: 18.6e-6
11+
Alpha_11,T: 2.589e-9
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Alpha_11,T^2: 3.269e-13
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T_ref: 293.15

‎examples/config/phase/mechanical/eigen/thermalexpansion_AISI304.yaml ‎examples/config/phase/mechanical/eigen/thermalexpansion_X5CrNi18-10.yaml

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fit to Fig. 6 (T_min=100K, T_max=1200K)
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Alpha_11: 14.9e-6
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Alpha_11,T: 1.838e-08
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Alpha_11,T: 1.838e-8
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Alpha_11,T^2: -2.028e-11
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Alpha_11,T^3: 9.173e-15
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‎examples/config/phase/mechanical/elastic/Hooke_SAE1050-martensite.yaml ‎examples/config/phase/mechanical/elastic/Hooke_C50E-martensite.yaml

File renamed without changes.

‎examples/config/phase/mechanical/elastic/Hooke_W-10at.%Re.yaml

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@@ -7,15 +7,15 @@ references:
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fit to Table IV (T_min=100K, T_max=300K)
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C_11: 524.6e+9
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C_11,T: -5.783e+07
11-
C_11,T^2: -1.355e+05
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C_11,T: -5.783e+7
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C_11,T^2: -1.355e+5
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C_12: 219.0e+9
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C_12,T: 1.940e+07
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C_12,T^2: 7.634e+04
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C_12,T: 1.940e+7
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C_12,T^2: 7.634e+4
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C_44: 168.7e+9
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C_44,T: -2.048e+07
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C_44,T^2: -5.478e+04
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C_44,T: -2.048e+7
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C_44,T^2: -5.478e+4
2020

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T_ref: 293.15

‎examples/config/phase/mechanical/elastic/Hooke_W-3at.%Re.yaml

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fit to Table IV (T_min=100K, T_max=300K)
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C_11: 535.1e+9
10-
C_11,T: -6.459e+07
11-
C_11,T^2: -1.664e+05
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C_11,T: -6.459e+7
11+
C_11,T^2: -1.664e+5
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C_12: 216.1e+9
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C_12,T: 2.357e+07
15-
C_12,T^2: 5.186e+04
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C_12,T: 2.357e+7
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C_12,T^2: 5.186e+4
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C_44: 161.1e+9
18-
C_44,T: -1.498e+07
19-
C_44,T^2: -3.234e+04
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C_44,T: -1.498e+7
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C_44,T^2: -3.234e+4
2020

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T_ref: 293.15

‎examples/config/phase/mechanical/elastic/Hooke_W.yaml

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@@ -7,12 +7,12 @@ references:
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fit to Tab. III (T_min=100K, T_max=300K)
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C_11: 524.3e+9
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C_11,T: -4.794e+07
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C_11,T: -4.794e+7
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C_12: 205.1e+9
13-
C_12,T: -2.836e+06
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C_12,T: -2.836e+6
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C_44: 160.7e+9
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C_44,T: -1.269e+07
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C_44,T: -1.269e+7
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T_ref: 293.15

‎examples/config/phase/mechanical/elastic/Hooke_X2CrNiMo17-12-2.yaml

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type: Hooke
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references:
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- J.-M. Scherer et al.,
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Materials Science & Engineering A 900:146471, 2024,
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https://doi.org/10.1016/j.msea.2024.146471,
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Eq. (6-8) adjusted to T_ref=293.15K (T_min=20°C, T_max=300°C)
8+
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C_11: 218.3e+9
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C_11,T: -5.13e+7
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C_12: 144.8e+9
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C_12,T: -2.77e+7
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C_44: 125.4e+9
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C_44,T: -3.08e+7
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T_ref: 293.15

‎examples/config/phase/mechanical/elastic/Hooke_AISI304.yaml ‎examples/config/phase/mechanical/elastic/Hooke_X5CrNi18-10.yaml

File renamed without changes.

‎examples/config/phase/mechanical/elastic/Hooke_X6CrNiMo17-12-2.yaml

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type: Hooke
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references:
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- M.R. Daymond and P.J. Bouchard,
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Metallurgical and Materials Transactions A 37:1863-1873, 2006,
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https://doi.org/10.1007/s11661-006-0129-4,
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fit to Fig. 6 (solid lines, T_min=0°C, T_max=600°C)
8+
9+
C_11: 118.6e+9
10+
C_11,T: -5.491e+7
11+
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C_12: 154.2e+9
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C_12,T: -6.059e+7
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C_44: 229.0e+9
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C_44,T: -1.058e+8
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T_ref: 293.15

‎examples/config/phase/mechanical/plastic/dislotungsten_W.yaml

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@@ -23,7 +23,7 @@ q_sl: [1.69]
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tau_Peierls: [2.03e+9]
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h: [2.566e-10]
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h_sl-sl: [0.009, 0.72, 0.009, 0.05, 0.05, 0.06, 0.09]
26-
w: [2.992e-09] # 11b
26+
w: [2.992e-9] # 11b
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2828
# values in Cereceda et al. are high, using parameters from Gröger et al.
2929
a_non-Schmid: [[0.0, 0.56, 0.75]] # Tab. 2

‎examples/config/phase/mechanical/plastic/dislotwin_IN625.yaml

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@@ -30,6 +30,6 @@ i_sl: [11.1]
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D_a: 4.0
3131
B: [0.001]
3232
Q_cl: 5.4e-19
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D: 1.08e-05
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D: 1.08e-5
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3535
h_sl-sl: [0.122, 0.122, 0.82, 0.21, 0.32, 0.3, 0.41]

‎examples/config/phase/mechanical/plastic/kinehardening_317L.yaml ‎examples/config/phase/mechanical/plastic/kinehardening_X2CrNiMo18-15-4.yaml

File renamed without changes.

‎examples/config/phase/thermal/AISI304.yaml

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This file was deleted.

‎examples/config/phase/thermal/Al.yaml

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output: [T]
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K_11: 2.374e+2
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K_11: 237.36
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K_11,T: 8.952e-3
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K_11,T^2: 2.650e-5
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K_11,T^3: -5.687e-7

‎examples/config/phase/thermal/Au.yaml

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references:
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- https://de.wikipedia.org/wiki/Gold
33

4-
C_p: 128.0
54
K_11: 320.0
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C_p: 128.0

‎examples/config/phase/thermal/Fe.yaml

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output: [T]
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K_11: 8.034e+1
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K_11: 80.34
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K_11,T: -1.216e-1
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K_11,T^2: 1.327e-4
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K_11,T^3: -7.993e-8

‎examples/config/phase/thermal/Ni.yaml

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output: [T]
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K_11: 9.311e+1
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K_11: 93.11
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K_11,T: -8.719e-2
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K_11,T^2: -3.793e-4
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K_11,T^3: -4.003e-6

‎examples/config/phase/thermal/Si.yaml

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44
output: [T]
55

6-
K_11: 1.50e+2
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K_11: 150.0
77
C_p: 710.0

‎examples/config/phase/thermal/Sn-beta.yaml

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output: [T]
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K_11: 7.495e+1
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K_11: 74.95
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K_11,T: -5.646e-2
1212
K_11,T^2: 1.420e-5
1313
K_11,T^3: -5.390e-7
1414
K_11,T^4: 4.012e-9
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16-
K_33: 5.204e+1
16+
K_33: 52.04
1717
K_33,T: -3.940e-2
1818
K_33,T^2: 7.037e-6
1919
K_33,T^3: -3.738e-7

‎examples/config/phase/thermal/W.yaml

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output: [T]
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10-
K_11: 1.750e+2
10+
K_11: 175.0
1111
K_11,T: -1.809e-1
1212
K_11,T^2: 2.257e-4
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K_11,T^3: -1.395e-7

‎examples/config/phase/thermal/X2CrNi18-10.yaml

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references:
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- C.S. Kim,
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Thermophysical properties of stainless steels,
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Argonne National Laboratory, Argonne, Illinois, 1975,
5+
https://doi.org/10.2172/4152287,
6+
Eq. 5 and Eq. 28 (T_min=300K, T_max=1600K)
7+
8+
K_11: 12.86
9+
K_11,T: 1.618e-2
10+
11+
C_p: 508.7
12+
C_p,T: 1.347e-1 # not implemented
13+
14+
T_ref: 293.15

‎examples/config/phase/thermal/X2CrNiMo17-12-2.yaml

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references:
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- C.S. Kim,
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Thermophysical properties of stainless steels,
4+
Argonne National Laboratory, Argonne, Illinois, 1975,
5+
https://doi.org/10.2172/4152287,
6+
Eq. 7 and Eq. 30 (T_min=300K, T_max=1600K)
7+
8+
K_11: 13.85
9+
K_11,T: 1.571e-2
10+
11+
C_p: 497.7
12+
C_p,T: 1.327e-1 # not implemented
13+
14+
T_ref: 293.15

‎examples/config/phase/thermal/X5CrNi18-10.yaml

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references:
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- B.F. Blackwell et al.,
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Proceedings of 34th National Heat Transfer Conference 2000,
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https://www.osti.gov/servlets/purl/760791
5+
- R.H. Bogaard et al.,
6+
Thermochimica Acta 218:373-393, 1993,
7+
https://doi.org/10.1016/0040-6031(93)80437-F
8+
9+
K_11: 14.34
10+
C_p: 470.0

‎examples/config/phase/thermal/adiabatic.yaml

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C_p: 1
21
K_11: 0
32
K_33: 0
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C_p: 1

‎examples/config/phase/thermal/fast-convection.yaml

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C_p: 1
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K_11: 1.e+30
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K_33: 1.e+30
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C_p: 1

‎examples/config/phase/thermal/steel-0.5C.yaml

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- https://www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html
33
- https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
44

5-
C_p: 490.0
65
K_11: 54.0
6+
C_p: 490.0

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