adjustments and improved documentation

examples/config/phase/mechanical/eigen/thermalexpansion_AISI304.yaml

@@ -3,7 +3,11 @@ type: thermalexpansion
 references:
   - R.H. Bogaard et al.,
     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,
+    fit to Fig. 6 (T_min=100K, T_max=1400K)
 
-A_11: 15.0e-6
+A_11: 2.068e-08
-T_ref: 300.0
+A_11,T: 1.579e-09
+A_11,T^2: 3.449e-13
+
+T_ref: 293.15

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

@@ -1,7 +1,7 @@
 type: thermalexpansion
 
 references:
-  - https://en.wikipedia.org/wiki/Thermal_expansion
+  - https://en.wikipedia.org/wiki/Thermal_expansion,
+    293.15K
 
 A_11: 23.1e-6
-T_ref: 293.15

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

@@ -1,7 +1,7 @@
 type: thermalexpansion
 
 references:
-  - https://en.wikipedia.org/wiki/Thermal_expansion
+  - https://en.wikipedia.org/wiki/Thermal_expansion,
+    293.15K
 
 A_11: 14.e-6
-T_ref: 293.15

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

@@ -1,7 +1,7 @@
 type: thermalexpansion
 
 references:
-  - https://en.wikipedia.org/wiki/Thermal_expansion
+  - https://en.wikipedia.org/wiki/Thermal_expansion,
+    293.15K
 
 A_11: 17.e-6
-T_ref: 293.15

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

@@ -1,7 +1,7 @@
 type: thermalexpansion
 
 references:
-  - https://en.wikipedia.org/wiki/Thermal_expansion
+  - https://en.wikipedia.org/wiki/Thermal_expansion,
+    293.15K
 
 A_11: 11.8e-6
-T_ref: 293.15

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

@@ -4,7 +4,7 @@ references:
   - V.T. Deshpande and D.B. Sirdeshmukh,
     Acta Crystallographica 15:294-295, 1962,
     https://doi.org/10.1107/S0365110X62000742,
-    fit to Tab. 2
+    fit to Tab. 2 (T_min=30ºC, T_max=210ºC)
 
 A_11: 1.639e-05
 A_11,T: 1.799e-08

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

@@ -1,7 +1,7 @@
 type: thermalexpansion
 
 references:
-  - https://en.wikipedia.org/wiki/Thermal_expansion
+  - https://en.wikipedia.org/wiki/Thermal_expansion,
+    293.15K
 
 A_11: 4.5e-6
-T_ref: 293.15

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

@@ -4,17 +4,18 @@ references:
   - D.J. Dever,
     Journal of Applied Physics 43(8):3293-3301, 1972,
     https://doi.org/10.1063/1.1661710
+    fit to Tab. II (T_min=25ºC, T_max=880ºC)
 
-C_11: 231.7e+9
+C_11: 232.1e+9
-C_11,T: -47.6e+6
+C_11,T: -4.678e+7
-C_11,T^2: -54.4e+3
+C_11,T^2: -5.762e+4
 
-C_12: 135.8e+9
+C_12: 135.9e+9
-C_12,T: -12.9e+6
+C_12,T: -1.695e+7
-C_12,T^2: -7.3e+3
+C_12,T^2: 1.555e+3
 
-C_44: 116.8e+9
+C_44: 117.0e+9
-C_44,T: -19.4e+6
+C_44,T: -2.047e+7
-C_44,T^2: -2.5e+3
+C_44,T^2: -2.814e+2
 
-T_ref: 300
+T_ref: 293.15