diff --git a/PRIVATE b/PRIVATE index d228c6bba..69f749be5 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit d228c6bbafa8ed121d27cc54063c49140a5cfd12 +Subproject commit 69f749be556cdb81ea5e7f25a2ef6dc2b023c3c9 diff --git a/examples/config/homogenization/damage/pass_direct.yaml b/examples/config/homogenization/damage/pass_direct.yaml index dd74a4b0d..cfe618321 100644 --- a/examples/config/homogenization/damage/pass_direct.yaml +++ b/examples/config/homogenization/damage/pass_direct.yaml @@ -1,3 +1,4 @@ # For single point calculations, requires N_constituents = 1 type: pass -output: ['T'] + +output: [phi] diff --git a/examples/config/homogenization/mechanical/RGC_8grains.yaml b/examples/config/homogenization/mechanical/RGC_8grains.yaml index 2506a9bcf..3fe0acbb6 100644 --- a/examples/config/homogenization/mechanical/RGC_8grains.yaml +++ b/examples/config/homogenization/mechanical/RGC_8grains.yaml @@ -1,8 +1,10 @@ # For Relaxed Grain Cluster homogenization, requires N_constituents = 8 type: RGC + +output: [F, P, M, Delta_V, max_dot_a, avg_dot_a] + D_alpha: [4.0e-06, 4.0e-06, 2.0e-06] a_g: [0.0, 0.0, 0.0] c_alpha: 2.0 cluster_size: [2, 2, 2] -output: [M, Delta_V, avg_dot_a, max_dot_a] xi_alpha: 10.0 diff --git a/examples/config/homogenization/mechanical/isostrain_polycrystal.yaml b/examples/config/homogenization/mechanical/isostrain_polycrystal.yaml index 3aed72468..425e7bfca 100644 --- a/examples/config/homogenization/mechanical/isostrain_polycrystal.yaml +++ b/examples/config/homogenization/mechanical/isostrain_polycrystal.yaml @@ -1,3 +1,4 @@ # For Taylor homogenization with N_constituents > 1 type: isostrain -output: ['F', 'P'] + +output: [F, P] diff --git a/examples/config/homogenization/mechanical/pass_direct.yaml b/examples/config/homogenization/mechanical/pass_direct.yaml index 5e6f0bcd9..c1bde3b66 100644 --- a/examples/config/homogenization/mechanical/pass_direct.yaml +++ b/examples/config/homogenization/mechanical/pass_direct.yaml @@ -1,3 +1,4 @@ # For single point calculations, requires N_constituents = 1 type: pass -output: ['F', 'P'] + +output: [F, P] diff --git a/examples/config/homogenization/thermal/isotemperature_polycrystal.yaml b/examples/config/homogenization/thermal/isotemperature_polycrystal.yaml index 1e2ca447b..e713637ae 100644 --- a/examples/config/homogenization/thermal/isotemperature_polycrystal.yaml +++ b/examples/config/homogenization/thermal/isotemperature_polycrystal.yaml @@ -1,3 +1,4 @@ # For homogenization with N_constituents > 1 type: isotemperature -output: ['T'] + +output: [T] diff --git a/examples/config/homogenization/thermal/pass_direct.yaml b/examples/config/homogenization/thermal/pass_direct.yaml index dd74a4b0d..4a2136b9b 100644 --- a/examples/config/homogenization/thermal/pass_direct.yaml +++ b/examples/config/homogenization/thermal/pass_direct.yaml @@ -1,3 +1,4 @@ # For single point calculations, requires N_constituents = 1 type: pass -output: ['T'] + +output: [T] diff --git a/examples/config/phase/damage/anisobrittle_cubic.yaml b/examples/config/phase/damage/anisobrittle_cubic.yaml index a7986a190..b98181271 100644 --- a/examples/config/phase/damage/anisobrittle_cubic.yaml +++ b/examples/config/phase/damage/anisobrittle_cubic.yaml @@ -1,6 +1,6 @@ type: anisobrittle -output: [f_phi] +output: [Psi_D] N_cl: [3] diff --git a/examples/config/phase/damage/isobrittle_generic.yaml b/examples/config/phase/damage/isobrittle_generic.yaml index 64a51fa42..61a00f644 100644 --- a/examples/config/phase/damage/isobrittle_generic.yaml +++ b/examples/config/phase/damage/isobrittle_generic.yaml @@ -1,6 +1,6 @@ type: isobrittle -output: [f_phi] +output: [r_W] G_crit: 1400000.0 l_c: 1.0 diff --git a/examples/config/phase/mechanical/plastic/dislotungsten_W.yaml b/examples/config/phase/mechanical/plastic/dislotungsten_W.yaml index b9864921a..c7d292f8f 100644 --- a/examples/config/phase/mechanical/plastic/dislotungsten_W.yaml +++ b/examples/config/phase/mechanical/plastic/dislotungsten_W.yaml @@ -8,7 +8,7 @@ references: Acta Materialia 56(19):5412-5425, 2008, https://doi.org/10.1016/j.actamat.2008.07.037 -output: [Lambda_sl] +output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass] N_sl: [12] diff --git a/examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml b/examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml index 79c2d6183..070d91538 100644 --- a/examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml +++ b/examples/config/phase/mechanical/plastic/dislotwin_IF-steel.yaml @@ -8,7 +8,7 @@ references: Mechanics of Materials, 164:104117, 2022, https://doi.org/10.1016/j.mechmat.2021.104117 -output: [rho_dip, rho_mob] +output: [rho_dip, rho_mob, gamma_sl, Lambda_sl, tau_pass] N_sl: [12, 12] diff --git a/examples/config/phase/mechanical/plastic/dislotwin_IN625.yaml b/examples/config/phase/mechanical/plastic/dislotwin_IN625.yaml index 3d2d70520..ba1958324 100644 --- a/examples/config/phase/mechanical/plastic/dislotwin_IN625.yaml +++ b/examples/config/phase/mechanical/plastic/dislotwin_IN625.yaml @@ -14,7 +14,7 @@ references: https://doi.org/10.1016/j.actamat.2008.08.012, Table 1 (self and coplanar) -output: [rho_dip, rho_mob] +output: [rho_dip, rho_mob, gamma_sl, Lambda_sl, tau_pass] N_sl: [12] diff --git a/examples/config/phase/mechanical/plastic/kinehardening_X2CrNiMo18-15-4.yaml b/examples/config/phase/mechanical/plastic/kinehardening_X2CrNiMo18-15-4.yaml index a3a7dfe30..596cc53c2 100644 --- a/examples/config/phase/mechanical/plastic/kinehardening_X2CrNiMo18-15-4.yaml +++ b/examples/config/phase/mechanical/plastic/kinehardening_X2CrNiMo18-15-4.yaml @@ -5,7 +5,7 @@ references: International Journal of Fatigue 36(1):181-193, 2012, https://doi.org/10.1016/j.ijfatigue.2011.07.008 -output: [xi, chi, chi_flip, gamma_flip, gamma, sgn(gamma)] +output: [xi, chi, sgn(gamma), chi_flip, gamma_flip, gamma] N_sl: [12] diff --git a/examples/config/phase/mechanical/plastic/nonlocal_Al.yaml b/examples/config/phase/mechanical/plastic/nonlocal_Al.yaml index 0687b8b8d..f286215a7 100644 --- a/examples/config/phase/mechanical/plastic/nonlocal_Al.yaml +++ b/examples/config/phase/mechanical/plastic/nonlocal_Al.yaml @@ -6,7 +6,25 @@ references: RWTH Aachen 2013, http://publications.rwth-aachen.de/record/229993/files/4862.pdf -output: [rho_u_ed_pos, rho_b_ed_pos, rho_u_ed_neg, rho_b_ed_neg, rho_u_sc_pos, rho_b_sc_pos, rho_u_sc_neg, rho_b_sc_neg, rho_d_ed, rho_d_sc] +output: + - rho_u_ed_pos + - rho_b_ed_pos + - rho_u_ed_neg + - rho_b_ed_neg + - rho_d_ed + - rho_u_sc_pos + - rho_b_sc_pos + - rho_u_sc_neg + - rho_b_sc_neg + - rho_d_sc + - rho_f + - v_ed_pos + - v_ed_neg + - v_sc_pos + - v_sc_neg + - gamma + - tau_pass + N_sl: [12] diff --git a/examples/config/phase/mechanical/plastic/nonlocal_Ni.yaml b/examples/config/phase/mechanical/plastic/nonlocal_Ni.yaml index 5fbf8f9bc..da4b2b15e 100644 --- a/examples/config/phase/mechanical/plastic/nonlocal_Ni.yaml +++ b/examples/config/phase/mechanical/plastic/nonlocal_Ni.yaml @@ -6,7 +6,24 @@ references: RWTH Aachen 2013, http://publications.rwth-aachen.de/record/229993/files/4862.pdf -output: [rho_u_ed_pos, rho_b_ed_pos, rho_u_ed_neg, rho_b_ed_neg, rho_u_sc_pos, rho_b_sc_pos, rho_u_sc_neg, rho_b_sc_neg, rho_d_ed, rho_d_sc] +output: + - rho_u_ed_pos + - rho_b_ed_pos + - rho_u_ed_neg + - rho_b_ed_neg + - rho_d_ed + - rho_u_sc_pos + - rho_b_sc_pos + - rho_u_sc_neg + - rho_b_sc_neg + - rho_d_sc + - rho_f + - v_ed_pos + - v_ed_neg + - v_sc_pos + - v_sc_neg + - gamma + - tau_pass N_sl: [12] diff --git a/examples/config/phase/mechanical/plastic/phenopowerlaw_Mg.yaml b/examples/config/phase/mechanical/plastic/phenopowerlaw_Mg.yaml index e5e43e03c..5aa767c35 100644 --- a/examples/config/phase/mechanical/plastic/phenopowerlaw_Mg.yaml +++ b/examples/config/phase/mechanical/plastic/phenopowerlaw_Mg.yaml @@ -5,7 +5,7 @@ references: Acta Materialia 80:77-93, 2014, https://doi.org/10.1016/j.actamat.2014.07.048 -output: [xi_sl, xi_tw] +output: [xi_sl, gamma_sl, xi_tw, gamma_tw] N_sl: [3, 3, 6, 0, 6] # basal, prism, 1. pyr, -, 2. pyr N_tw: [6, 0, 6] # tension, -, compression diff --git a/examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml b/examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml index 5da7e2e31..881adc951 100644 --- a/examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml +++ b/examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml @@ -8,7 +8,7 @@ references: Acta Materialia 132:598-610, 2017, https://doi.org/10.1016/j.actamat.2017.05.015 -output: [gamma_sl] +output: [xi_sl, gamma_sl] N_sl: [3, 3, 0, 12] # basal, prism, -, 1. pyr diff --git a/examples/config/phase/mechanical/plastic/phenopowerlaw_bcc-martensite.yaml b/examples/config/phase/mechanical/plastic/phenopowerlaw_bcc-martensite.yaml index 6fef01bdc..02e729809 100644 --- a/examples/config/phase/mechanical/plastic/phenopowerlaw_bcc-martensite.yaml +++ b/examples/config/phase/mechanical/plastic/phenopowerlaw_bcc-martensite.yaml @@ -9,6 +9,8 @@ references: Metallurgical and Materials Transactions B 1:1121–1143, 1970, https://doi.org/10.1007/BF02900224 +output: [xi_sl, gamma_sl] + N_sl: [12, 12] dot_gamma_0_sl: [0.001, 0.001] diff --git a/examples/config/phase/mechanical/plastic/phenopowerlaw_polygonal-ferrite.yaml b/examples/config/phase/mechanical/plastic/phenopowerlaw_polygonal-ferrite.yaml index 241a9789b..a154b5803 100644 --- a/examples/config/phase/mechanical/plastic/phenopowerlaw_polygonal-ferrite.yaml +++ b/examples/config/phase/mechanical/plastic/phenopowerlaw_polygonal-ferrite.yaml @@ -6,6 +6,8 @@ references: https://doi.org/10.1016/j.msea.2023.145373, Table 2, Fig. 19 indent II with contraints +output: [xi_sl, gamma_sl] + N_sl: [12, 12, 24] h_0_sl-sl: [1.0e+9, 1.0e+9, 1.0e+9] diff --git a/examples/config/phase/thermal/Au.yaml b/examples/config/phase/thermal/Au.yaml index 4ec4899f2..50046fa34 100644 --- a/examples/config/phase/thermal/Au.yaml +++ b/examples/config/phase/thermal/Au.yaml @@ -1,5 +1,7 @@ references: - https://de.wikipedia.org/wiki/Gold +output: [T] + K_11: 320.0 C_p: 128.0 diff --git a/examples/config/phase/thermal/X2CrNi18-10.yaml b/examples/config/phase/thermal/X2CrNi18-10.yaml index 167750789..91a1a9bdb 100644 --- a/examples/config/phase/thermal/X2CrNi18-10.yaml +++ b/examples/config/phase/thermal/X2CrNi18-10.yaml @@ -5,6 +5,8 @@ references: https://doi.org/10.2172/4152287, Eq. 5 and Eq. 28 (T_min=300K, T_max=1600K) +output: [T] + K_11: 12.86 K_11,T: 1.618e-2 diff --git a/examples/config/phase/thermal/X2CrNiMo17-12-2.yaml b/examples/config/phase/thermal/X2CrNiMo17-12-2.yaml index 86922e9a4..731259ee0 100644 --- a/examples/config/phase/thermal/X2CrNiMo17-12-2.yaml +++ b/examples/config/phase/thermal/X2CrNiMo17-12-2.yaml @@ -5,6 +5,8 @@ references: https://doi.org/10.2172/4152287, Eq. 7 and Eq. 30 (T_min=300K, T_max=1600K) +output: [T] + K_11: 13.85 K_11,T: 1.571e-2 diff --git a/examples/config/phase/thermal/X5CrNi18-10.yaml b/examples/config/phase/thermal/X5CrNi18-10.yaml index 752aa7a18..58a37d187 100644 --- a/examples/config/phase/thermal/X5CrNi18-10.yaml +++ b/examples/config/phase/thermal/X5CrNi18-10.yaml @@ -6,5 +6,7 @@ references: Thermochimica Acta 218:373-393, 1993, https://doi.org/10.1016/0040-6031(93)80437-F +output: [T] + K_11: 14.34 C_p: 470.0 diff --git a/examples/config/phase/thermal/adiabatic.yaml b/examples/config/phase/thermal/adiabatic.yaml index a352c4de5..7a4b1195f 100644 --- a/examples/config/phase/thermal/adiabatic.yaml +++ b/examples/config/phase/thermal/adiabatic.yaml @@ -1,3 +1,5 @@ +output: [T] + K_11: 0 K_33: 0 C_p: 1 diff --git a/examples/config/phase/thermal/fast-convection.yaml b/examples/config/phase/thermal/fast-convection.yaml index 4896a420e..12649f14c 100644 --- a/examples/config/phase/thermal/fast-convection.yaml +++ b/examples/config/phase/thermal/fast-convection.yaml @@ -1,3 +1,5 @@ +output: [T] + K_11: 1.e+30 K_33: 1.e+30 C_p: 1 diff --git a/examples/config/phase/thermal/steel-0.5C.yaml b/examples/config/phase/thermal/steel-0.5C.yaml index a01b47464..1ccb7d7ae 100644 --- a/examples/config/phase/thermal/steel-0.5C.yaml +++ b/examples/config/phase/thermal/steel-0.5C.yaml @@ -2,5 +2,7 @@ references: - https://www.engineeringtoolbox.com/thermal-conductivity-metals-d_858.html - https://www.engineeringtoolbox.com/specific-heat-metals-d_152.html +output: [T] + K_11: 54.0 C_p: 490.0