diff --git a/examples/config/phase/Sn-beta.yaml b/examples/config/phase/Sn-beta.yaml new file mode 100644 index 000000000..fbf885fb8 --- /dev/null +++ b/examples/config/phase/Sn-beta.yaml @@ -0,0 +1,8 @@ +references: + - J.A. Rayne and B.S. Chandrasekhar, + Physical Review 120(5):1658-1663, 1960, + https://doi.org/10.1103/PhysRev.120.1658 + - https://en.wikipedia.org/wiki/Tin +lattice: tI +c/a: 0.5458 # T=300K (c=31.83nm, a=5.832nm) +rho: 7265.0 diff --git a/examples/config/phase/mechanical/eigen/thermalexpansion_Sn-beta.yaml b/examples/config/phase/mechanical/eigen/thermalexpansion_Sn-beta.yaml new file mode 100644 index 000000000..7da58b246 --- /dev/null +++ b/examples/config/phase/mechanical/eigen/thermalexpansion_Sn-beta.yaml @@ -0,0 +1,13 @@ +type: thermalexpansion +references: + - V.T. Deshpande and D.B. Sirdeshmukh, + Acta Crystallographica 15:294-295, 1962, + https://doi.org/10.1107/S0365110X62000742, + fitted from Tab. 2 +A_11: 1.639e-05 +A_11,T: 1.799e-08 +A_11,T^2: 1.734e-10 +A_33: 3.263e-05 +A_33,T: 1.387e-08 +A_33,T^2: 5.794e-10 +T_ref: 293.15 diff --git a/examples/config/phase/mechanical/elastic/Hooke_Sn-beta.yaml b/examples/config/phase/mechanical/elastic/Hooke_Sn-beta.yaml new file mode 100644 index 000000000..c6a77729e --- /dev/null +++ b/examples/config/phase/mechanical/elastic/Hooke_Sn-beta.yaml @@ -0,0 +1,25 @@ +type: Hooke +references: + - J.A. Rayne and B.S. Chandrasekhar, + Physical Review 120(5):1658-1663, 1960, + https://doi.org/10.1103/PhysRev.120.1658, + fitted from Fig. 2 and Tab. IV (C_13) +C_11: 72.89e+9 +C_11,T: -4.479e+7 +C_11,T^2: -3.149e+4 +C_12: 59.27e+9 +C_12,T: 1.110e+7 +C_12,T^2: 1.300e+4 +C_13: 35.97e+9 +C_13,T: -2.638e+7 +C_13,T^2: -1.123e+5 +C_33: 88.77e+10 +C_33,T: -5.361e+7 +C_33,T^2: -2.770e+3 +C_44: 22.26e+9 +C_44,T: -1.994e+7 +C_44,T^2: -9.519e+3 +C_66: 24.17e+9 +C_66,T: -1.919e+7 +C_66,T^2: -1.161e+4 +T_ref: 293.15 diff --git a/examples/config/phase/mechanical/plastic/phenopowerlaw_Sn-beta.yaml b/examples/config/phase/mechanical/plastic/phenopowerlaw_Sn-beta.yaml new file mode 100644 index 000000000..2f7871cf5 --- /dev/null +++ b/examples/config/phase/mechanical/plastic/phenopowerlaw_Sn-beta.yaml @@ -0,0 +1,29 @@ +type: phenopowerlaw +references: + - A. Chakraborty and P. Eisenlohr, + Journal of Applied Physics 124:025302, 2018, + https://doi.org/10.1063/1.5029933 +output: [xi_sl, gamma_sl] +N_sl: [2, 2, 2, 4, 2, 4, 2, 2, 4, 0, 0, 8] +n_sl: 6.0 +a_sl: 2.0 +h_0_sl-sl: 20.0e+6 +xi_0_sl: [8.5e+6, 4.3e+6, 10.4e+6, 4.5e+6, 5.6e+6, 5.1e+6, 7.4e+6, 15.0e+6, 6.6e+6, 0.0, 0.0, 12.0e+6] +xi_inf_sl: [11.0e+6, 9.0e+6, 11.0e+6, 9.0e+6, 10.0e+6, 10.0e+6, 10.0e+6, 10.0e+6, 9.0e+6, 0.0, 0.0, 13.0e+6] +h_sl-sl: [+1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, + +1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, + +1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, + +1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, + +1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, # 50 + +1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, + +1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, + +1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, + +1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, + -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, # 100 + -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, + -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, + -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, -1.0, + -1.0, -1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, + +1.0, -1.0, -1.0, 1.0, 1.0, -1.0, -1.0, 1.0, 1.0, 1.0, # 150 + +1.0, 1.0, 1.0, 1.0, 1.0, 1.0] # unused entries are indicated by -1.0 +dot_gamma_0_sl: 2.6e-8