diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_AISI304.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_AISI304.yaml index f3605e1d9..bc0db5c5e 100644 --- a/examples/config/phase/mechanical/eigen/thermalexpansion_AISI304.yaml +++ b/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 -T_ref: 300.0 +A_11: 2.068e-08 +A_11,T: 1.579e-09 +A_11,T^2: 3.449e-13 + +T_ref: 293.15 diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_Al.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_Al.yaml index ccd8b347b..495680b4e 100644 --- a/examples/config/phase/mechanical/eigen/thermalexpansion_Al.yaml +++ b/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 diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_Au.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_Au.yaml index 8211516de..a14ac6b0f 100644 --- a/examples/config/phase/mechanical/eigen/thermalexpansion_Au.yaml +++ b/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 diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_Cu.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_Cu.yaml index d7c71931b..a0a35c955 100644 --- a/examples/config/phase/mechanical/eigen/thermalexpansion_Cu.yaml +++ b/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 diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_Fe.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_Fe.yaml index 9798fb8a0..da8ead4c1 100644 --- a/examples/config/phase/mechanical/eigen/thermalexpansion_Fe.yaml +++ b/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 diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_Sn-beta.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_Sn-beta.yaml index 16e78f82c..f77f79bba 100644 --- a/examples/config/phase/mechanical/eigen/thermalexpansion_Sn-beta.yaml +++ b/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 diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_W.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_W.yaml index 338f60fe2..cb29ab270 100644 --- a/examples/config/phase/mechanical/eigen/thermalexpansion_W.yaml +++ b/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 diff --git a/examples/config/phase/mechanical/elastic/Hooke_Fe.yaml b/examples/config/phase/mechanical/elastic/Hooke_Fe.yaml index a6d7d1868..198a2b4d3 100644 --- a/examples/config/phase/mechanical/elastic/Hooke_Fe.yaml +++ b/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,T: -47.6e+6 -C_11,T^2: -54.4e+3 +C_11: 232.1e+9 +C_11,T: -4.678e+7 +C_11,T^2: -5.762e+4 -C_12: 135.8e+9 -C_12,T: -12.9e+6 -C_12,T^2: -7.3e+3 +C_12: 135.9e+9 +C_12,T: -1.695e+7 +C_12,T^2: 1.555e+3 -C_44: 116.8e+9 -C_44,T: -19.4e+6 -C_44,T^2: -2.5e+3 +C_44: 117.0e+9 +C_44,T: -2.047e+7 +C_44,T^2: -2.814e+2 -T_ref: 300 +T_ref: 293.15