more temperature dependent data

2022-02-13 01:49:07 +01:00 · 2022-02-13 01:49:07 +01:00 · bb6a62c475
parent 99c2f58553
commit bb6a62c475
11 changed files with 131 additions and 47 deletions
--- a/2
+++ b/2
@ -1 +1 @@
-Subproject commit 19a2a62ded818e4843cf8a248ec6189ff9e4359b
+Subproject commit 0d639a9ba41db279b0d2825c8e8eddf0ccd91326
--- a/examples/config/phase/mechanical/elastic/Hooke_Cu.yaml
+++ b/examples/config/phase/mechanical/elastic/Hooke_Cu.yaml
@ -1,9 +1,21 @@
 type: Hooke

 references:
-  - https://www.mit.edu/~6.777/matprops/copper.htm,
-    fixed typo
+  - W.C. Overton, Jr. and J. Gaffney,
+    Physical Review 98(4):969-977, 1955,
+    https://doi.org/10.1103/PhysRev.98.969,
+    fit to Tab. I (T_min=100K, T_max=300K)

-C_11: 168.3e+9
-C_12: 122.1e+9
-C_44: 75.7e+9
+C_11: 168.6e+9
+C_11,T: -3.779e+7
+C_11,T^2: -2.536e+4
+
+C_12: 121.5e+9
+C_12,T: -1.632e+7
+C_12,T^2: -1.116e+4
+
+C_44: 75.59e+9
+C_44,T: -2.912e+7
+C_44,T^2: -1.669e+4
+
+T_ref: 293.15
--- a/examples/config/phase/mechanical/elastic/Hooke_Mg.yaml
+++ b/examples/config/phase/mechanical/elastic/Hooke_Mg.yaml
@ -1,12 +1,29 @@
 type: Hooke

 references:
-  - D. Tromans,
-    International Journal of Recent Research and Applied Studies 6(4):462-483, 2011,
-    https://www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf
+  - L.J. Slutsky and C.W. Garland,
+    Physical Review 107(4):972-976, 1957,
+    https://doi.org/10.1103/PhysRev.107.972,
+    fit to Tab. I (T_min=100K, T_max=300K)

-C_11: 59.3e+9
-C_33: 61.5e+9
-C_44: 16.4e+9
-C_12: 25.7e+9
-C_13: 21.4e+9
+C_11: 59.50e+9
+C_11,T: -1.930e+7
+C_11,T^2: -1.215e+4
+
+C_33: 61.72e+9
+C_33,T: -2.175e+7
+C_33,T^2: -5.624e+3
+
+C_44: 16.46e+9
+C_44,T: -1.006e+7
+C_44,T^2: -7.692e+3
+
+C_12: 25.62e+9
+C_12,T: -2.216e+6
+C_12,T^2: -4.138e+3
+
+C_13: 21.46e+9
+C_13,T: -1.921e+6
+C_13,T^2: -4.283e+3
+
+T_ref: 293.15
--- a/examples/config/phase/mechanical/elastic/Hooke_Ni.yaml
+++ b/examples/config/phase/mechanical/elastic/Hooke_Ni.yaml
@ -1,11 +1,21 @@
 type: Hooke

 references:
-  - J.P. Hirth and J. Lothe,
-    Theory of Dislocations, 1982,
-    John Wiley & Sons,
-    page 837
+  - G.A. Alers,
+    Journal of Physics and Chemistry of Solids 13(1-2):40-55, 1960,
+    https://doi.org/10.1016/0022-3697(60)90125-6,
+    fit to Tab. 2 (T_min=100K, T_max=700K)

-C_11: 246.5e+9
-C_12: 147.3e+9
-C_44: 124.7e+9
+C_11: 251.0e+9
+C_11,T: -4.998e+7
+C_11,T^2: -2.952e+4
+
+C_12: 150.0e+9
+C_12,T: -4.269e+6
+C_12,T^2: -6.429e+3
+
+C_44: 123.7e+9
+C_44,T: -3.618e+7
+C_44,T^2: -7.024e+3
+
+T_ref: 293.15
--- a/examples/config/phase/mechanical/elastic/Hooke_Ti.yaml
+++ b/examples/config/phase/mechanical/elastic/Hooke_Ti.yaml
@ -1,12 +1,33 @@
 type: Hooke

 references:
-  - L. Wang et al.,
-    Acta Materialia 132:598-610, 2017,
-    https://doi.org/10.1016/j.actamat.2017.05.015
+  - E.S. Fisher and C.J. Renken,
+    Physical Review 135(2A):A482-A494, 1964,
+    https://doi.org/10.1103/PhysRev.135.A482,
+    fit to Tab. IV (T_min=150K, T_max=250K)
+  - H. Ogi et al.,
+    Acta Materialia 52(7):2075-2080, 2004,
+    https://doi.org/10.1016/j.actamat.2004.01.002,
+    fit to Fig. 3 (T_min=300K, T_max=900K)

-C_11: 162.4e+9
-C_33: 181.6e+9
-C_44: 47.2e+9
-C_12: 92.e+9
-C_13: 69.e+9
+C_11: 162.6e+9
+C_11,T: -6.150e+7
+C_11,T^2: -5.557e+2
+
+C_33: 183.3e+9
+C_33,T: -1.655e+07
+C_33,T^2: -1.022e+04
+
+C_44: 45.80e+9
+C_44,T: -2.936e+07
+C_44,T^2: 7.120e+02
+
+C_12: 89.97e+9
+C_12,T: 2.776e+6
+C_12,T^2: -2.389e+4
+
+C_13: 69.53e+9
+C_13,T: 1.057e+7
+C_13,T^2: -2.966e+3
+
+T_ref: 293.15
--- a/examples/config/phase/mechanical/elastic/Hooke_W.yaml
+++ b/examples/config/phase/mechanical/elastic/Hooke_W.yaml
@ -1,10 +1,20 @@
 type: Hooke

 references:
-  - D. Cereceda et al.,
-    International Journal of Plasticity 78:242-265, 2016,
-    https://doi.org/10.1016/j.ijplas.2015.09.002
+  - F.H. Featherston and J.R. Nieghbours,
+    Physical Review 130(4):1324-1333,
+    https://doi.org/10.1103/PhysRev.130.1324,
+    fit to Tab. III (T_min=100K, T_max=300K)

-C_11: 523.e+9
-C_12: 202.e+9
-C_44: 161.e+9
+C_11: 523.6e+9
+C_11,T: -7.607e+7
+C_11,T^2: -1.551e+5
+
+C_12: 205.1e+9
+C_12,T: -2.843e+6
+
+C_44: 160.8e+9
+C_44,T: -1.057e+7
+C_44,T^2: 9.933e+3
+
+T_ref: 293.15
--- a/examples/config/phase/thermal/Al.yaml
+++ b/examples/config/phase/thermal/Al.yaml
@ -5,9 +5,9 @@ references:
    fit to Tab. 3.4.1 (RRR=1000, T_min=200K, T_max=900K)
  - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html

-K_11: 2.380e+02
-K_11,T: 2.068e-03
-K_11,T^2: -7.765e-05
+K_11: 2.380e+2
+K_11,T: 2.068e-3
+K_11,T^2: -7.765e-5

 T_ref: 293.15

--- a/examples/config/phase/thermal/Cu.yaml
+++ b/examples/config/phase/thermal/Cu.yaml
@ -5,9 +5,9 @@ references:
    fit to Tab. 2.4.1 (RRR=1000, T_min=200K, T_max=1000K)
  - https://www.mit.edu/~6.777/matprops/copper.htm

-K_11: 4.039e+02
-K_11,T: -8.119e-02
-K_11,T^2: 1.454e-05
+K_11: 4.039e+2
+K_11,T: -8.119e-2
+K_11,T^2: 1.454e-5

 T_ref: 293.15

--- a/examples/config/phase/thermal/Fe.yaml
+++ b/examples/config/phase/thermal/Fe.yaml
@ -5,9 +5,9 @@ references:
    fit to Tab. 4.4.1 (RRR=300, T_min=200K, T_max=1000K)
  - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html

-K_11: 8.055e+01
-K_11,T: -1.051e-01
-K_11,T^2: 5.464e-05
+K_11: 8.055e+1
+K_11,T: -1.051e-1
+K_11,T^2: 5.464e-5

 T_ref: 293.15

--- a/examples/config/phase/thermal/Ni.yaml
+++ b/examples/config/phase/thermal/Ni.yaml
@ -0,0 +1,14 @@
+references:
+  - Y.S. Touloukian et al.,
+    TPRC Data Series Volume 1. Thermal conductivity - metallic elements and alloys,
+    IFI/Plenum, 1970,
+    fit to Tab. 35R (T_min=150K, T_max=500K)
+  - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html
+
+K_11: 9.132e+1
+K_11,T: -1.525e-1
+K_11,T^2: 3.053e-4
+
+T_ref: 293.15
+
+C_p: 440.0
--- a/examples/config/phase/thermal/W.yaml
+++ b/examples/config/phase/thermal/W.yaml
@ -5,9 +5,9 @@ references:
    fit to Tab. 5.4.1 (RRR=300, T_min=200K, T_max=1000K)
  - https://www.mit.edu/~6.777/matprops/tungsten.htm

-K_11: 1.758e+02
-K_11,T: -1.605e-01
-K_11,T^2: 1.160e-04
+K_11: 1.758e+2
+K_11,T: -1.605e-1
+K_11,T^2: 1.160e-4

 T_ref: 293.15