diff --git a/PRIVATE b/PRIVATE index 89ee5ced4..5bdddaab8 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 89ee5ced410c0d7f50ef20e39080f2c637b1b0f7 +Subproject commit 5bdddaab80eb42a04393d4cd85079ff83d5a6d53 diff --git a/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml b/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml index 1e6af9c90..fe51585be 100644 --- a/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml +++ b/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml @@ -1,36 +1,31 @@ -TWIP_Steel_FeMnC: - lattice: cF - mechanical: - elastic: {type: Hooke, C_11: 175.0e+9, C_12: 115.0e+9, C_44: 135.0e+9} - plastic: - type: dislotwin - output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, tau_hat_tw, f_tr] - D: 2.0e-5 - N_sl: [12] - b_sl: [2.56e-10] - rho_mob_0: [1.0e+12] - rho_dip_0: [1.0] - v_0: [1.0e+4] - Q_s: [3.7e-19] - p_sl: [1.0] - q_sl: [1.0] - tau_0: [1.5e+8] - i_sl: [10.0] # Adj. parameter controlling dislocation mean free path - D_0: 4.0e-5 # Vacancy diffusion prefactor / m^2/s - D_a: 1.0 # minimum dipole distance / b - Q_cl: 4.5e-19 # Activation energy for climb / J - h_sl-sl: [0.122, 0.122, 0.625, 0.07, 0.137, 0.137, 0.122] # Interaction coefficients (Kubin et al. 2008) +type: dislotwin +output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, tau_hat_tw, f_tr] +D: 2.0e-5 +N_sl: [12] +b_sl: [2.56e-10] +rho_mob_0: [1.0e+12] +rho_dip_0: [1.0] +v_0: [1.0e+4] +Q_s: [3.7e-19] +p_sl: [1.0] +q_sl: [1.0] +tau_0: [1.5e+8] +i_sl: [10.0] # Adj. parameter controlling dislocation mean free path +D_0: 4.0e-5 # Vacancy diffusion prefactor / m^2/s +D_a: 1.0 # minimum dipole distance / b +Q_cl: 4.5e-19 # Activation energy for climb / J +h_sl-sl: [0.122, 0.122, 0.625, 0.07, 0.137, 0.137, 0.122] # Interaction coefficients (Kubin et al. 2008) # twinning parameters - N_tw: [12] - b_tw: [1.47e-10] # Burgers vector length of twin system / b - t_tw: [5.0e-8] # Twin stack mean thickness / m - L_tw: 442.0 # Length of twin nuclei / b - x_c_tw: 1.0e-9 # critical distance for formation of twin nucleus / m - V_cs: 1.67e-29 # cross slip volume / m^3 - p_tw: [10.0] # r-exponent in twin formation probability - i_tw: 1.0 # Adj. parameter controlling twin mean free path - h_sl-tw: [0.0, 1.0, 1.0] # dislocation-twin interaction coefficients - h_tw-tw: [0.0, 1.0] # twin-twin interaction coefficients - T_ref: 0.0 - Gamma_sf: -0.0396 # stacking fault energy / J/m^2 at zero K; TWIP steel: -0.0526; Cu: -0.0396 - Gamma_sf,T: 0.0002 # temperature dependence / J/(m^2 K) of stacking fault energy +N_tw: [12] +b_tw: [1.47e-10] # Burgers vector length of twin system / b +t_tw: [5.0e-8] # Twin stack mean thickness / m +L_tw: 442.0 # Length of twin nuclei / b +x_c_tw: 1.0e-9 # critical distance for formation of twin nucleus / m +V_cs: 1.67e-29 # cross slip volume / m^3 +p_tw: [10.0] # r-exponent in twin formation probability +i_tw: 1.0 # Adj. parameter controlling twin mean free path +h_sl-tw: [0.0, 1.0, 1.0] # dislocation-twin interaction coefficients +h_tw-tw: [0.0, 1.0] # twin-twin interaction coefficients +T_ref: 0.0 +Gamma_sf: -0.0396 # stacking fault energy / J/m^2 at zero K; TWIP steel: -0.0526; Cu: -0.0396 +Gamma_sf,T: 0.0002 # temperature dependence / J/(m^2 K) of stacking fault energy diff --git a/examples/config/Phase_Isotropic_FreeSurface.yaml b/examples/config/Phase_Isotropic_FreeSurface.yaml deleted file mode 100644 index af1dea929..000000000 --- a/examples/config/Phase_Isotropic_FreeSurface.yaml +++ /dev/null @@ -1,16 +0,0 @@ -FreeSurface: - lattice: cI - mechanical: - output: [F, P, F_e, F_p, L_p] - elastic: {type: Hooke, C_11: 1.e+8, C_12: 1.e+6, C_44: 4.95e+7} - plastic: - type: isotropic - output: [xi] - xi_0: 0.3e+6 - xi_inf: 0.6e+6 - dot_gamma_0: 0.001 - n: 5 - M: 3 - h_0: 1.e+6 - a: 2 - dilatation: True diff --git a/examples/config/Phase_Phenopowerlaw_cpTi.yaml b/examples/config/Phase_Phenopowerlaw_cpTi.yaml deleted file mode 100644 index 2e3b404b6..000000000 --- a/examples/config/Phase_Phenopowerlaw_cpTi.yaml +++ /dev/null @@ -1,13 +0,0 @@ -# M. Levy, Handbook of Elastic Properties of Solids, Liquids, and Gases (2001) -# C. Zambaldi, "Orientation informed nanoindentation of a-titanium: Indentation pileup in hexagonal metals deforming by prismatic slip", J. Mater. Res., Vol. 27, No. 1, Jan 14, 2012 -# Better use values from L. Wang, Z. Zheng, H. Phukan, P. Kenesei, J.-S. Park, J. Lind, R.M. Suter, T.R. Bieler, Direct measurement of critical resolved shear stress of prismatic and basal slip in polycrystalline Ti using high energy X-ray diffraction microscopy, Acta Mater 2017 -N_sl: [3, 3, 0, 6, 12] -a_sl: 2.0 -dot_gamma_0_sl: 0.001 -h_0_sl-sl: 200.e+6 -h_sl-sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] -n_sl: 20 -output: [gamma_sl] -type: phenopowerlaw -xi_0_sl: [0.15e+9, 0.09e+9, 0, 0.20e+9, 0.25e+9] -xi_inf_sl: [0.24e+9, 0.5e+9, 0, 0.6e+9, 0.8e+9] diff --git a/examples/config/phase/mechanical/elastic/Hooke_TWIP-steel.yaml b/examples/config/phase/mechanical/elastic/Hooke_TWIP-steel.yaml new file mode 100644 index 000000000..d56481af2 --- /dev/null +++ b/examples/config/phase/mechanical/elastic/Hooke_TWIP-steel.yaml @@ -0,0 +1,11 @@ +type: Hooke +references: + - D. Music et al., + Applied Physics Letters, 99(19), 191904, 2007, + 10.1063/1.2807677 + - S.L. Wong et al., + Acta Materialia, 118, 140-151, 2016, + 10.1016/j.actamat.2016.07.032 +C_11: 175.0e+9 +C_12: 115.0e+9 +C_44: 135.0e+9 diff --git a/examples/config/phase/mechanical/elastic/Hooke_vanishing-Poisson-ratio.yaml b/examples/config/phase/mechanical/elastic/Hooke_vanishing-Poisson-ratio.yaml new file mode 100644 index 000000000..d1703c091 --- /dev/null +++ b/examples/config/phase/mechanical/elastic/Hooke_vanishing-Poisson-ratio.yaml @@ -0,0 +1,8 @@ +type: Hooke +references: + - T. Maiti et al., + Scripta Materialia, 145, 37-40, 2018, + 10.1016/j.scriptamat.2017.09.047 +C_11: 1.e+8 +C_12: 1.e+6 +C_44: 4.95e+7 diff --git a/examples/config/phase/mechanical/plastic/isotropic_free-surface.yaml b/examples/config/phase/mechanical/plastic/isotropic_free-surface.yaml new file mode 100644 index 000000000..311d274e6 --- /dev/null +++ b/examples/config/phase/mechanical/plastic/isotropic_free-surface.yaml @@ -0,0 +1,15 @@ +type: isotropic +references: + - T. Maiti et al., + Scripta Materialia, 145, 37-40, 2018, + 10.1016/j.scriptamat.2017.09.047 +output: [xi] +dot_gamma_0: 0.001 +n: 20. +xi_0: 0.3e+6 +xi_inf: 0.6e+6 +a: 2. +h_0: 1.e+6 +M: 1. +h: 1. +dilatation: True diff --git a/examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml b/examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml new file mode 100644 index 000000000..d7c2e8a4a --- /dev/null +++ b/examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml @@ -0,0 +1,18 @@ +type: phenopowerlaw + - C. Zambaldi et al., + Journal of Materials Research, 27(1), 356-367, 2021, + 10.1557/jmr.2011.334 + - L. Wang et al., + Acta Materialia, 132, 598-610, 2017, + 10.1016/j.actamat.2017.05.015 +output: [gamma_sl] +N_sl: [3, 3, 0, 0, 12] +n_sl: 20 +a_sl: 2.0 +dot_gamma_0_sl: 0.001 +h_0_sl-sl: 200.e+6 +xi_0_sl: [349.e+6, 150.e+6, 0.0, 0.0, 1107.e+6] +xi_inf_sl: [568.e+6, 150.e+7, 0.0, 0.0, 3420.e+6] +# L. Wang et al. +# xi_0_sl: [127.e+6, 96.e+6, 0.0, 0.0, 240.e+6] +h_sl-sl: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1]