diff --git a/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml b/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml index e4f325d66..e3705891f 100644 --- a/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml +++ b/examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml @@ -1,9 +1,10 @@ -TWIP_STEEL_FeMnC: +TWIP_Steel_FeMnC: lattice: cF mechanics: - elasticity: {C_11: 175.0e9, C_12: 115.0e9, C_44: 135.0e9, type: hooke} + elasticity: {type: hooke, C_11: 175.0e9, C_12: 115.0e9, C_44: 135.0e9} plasticity: 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] @@ -14,28 +15,27 @@ TWIP_STEEL_FeMnC: p_sl: [1.0] q_sl: [1.0] tau_0: [1.5e8] - 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 # Adj. parameter controlling the minimum dipole distance [in b] - Q_cl: 4.5e-19 # Activation energy for climb [J] + 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, 0.122] # Interaction coefficients (Kubin et al. 2008) -# shear band params +# shear band parameters xi_sb: 180.0e6 Q_sb: 3.7e-19 p_sb: 1.0 q_sb: 1.0 - v_sb: 0.0 #set to 0, to turn it off - ### Twinning parameters ### + v_sb: 0.0 # set to 0, to turn it off +# twinning parameters N_tw: [12] - b_tw: [1.47e-10] # Burgers vector of twin system [m] - t_tw: [5.0e-8] # Twin stack mean thickness [m] - L_tw: 442.0 # Length of twin nuclei in Burgers vectors - x_c_tw: 1.0e-9 # critical distance for formation of twin nucleus - V_cs: 1.67e-29 # cross slip volume + 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 - Gamma_sf_0K: -0.0396 # stacking fault energy at zero K; TWIP steel: -0.0526; Cu: -0.0396 - dGamma_sf_dT: 0.0002 # temperature dependance of stacking fault energy - output: [rho_mob, rho_dip, gamma_sl, Lambda_sl, tau_pass, f_tw, Lambda_tw, tau_hat_tw, f_tr] + h_sl_tw: [0.0, 1.0, 1.0] # dislocation-twin interaction coefficients + h_tw_tw: [0.0, 1.0] # twin-twin interaction coefficients + Gamma_sf_0K: -0.0396 # stacking fault energy / J/m^2 at zero K; TWIP steel: -0.0526; Cu: -0.0396 + dGamma_sf_dT: 0.0002 # temperature dependence / J/(m^2 K) of stacking fault energy diff --git a/examples/ConfigFiles/Phase_Dislotwin_Tungsten.yaml b/examples/ConfigFiles/Phase_Dislotwin_Tungsten.yaml index bbd6d0282..3863899cb 100644 --- a/examples/ConfigFiles/Phase_Dislotwin_Tungsten.yaml +++ b/examples/ConfigFiles/Phase_Dislotwin_Tungsten.yaml @@ -1,22 +1,21 @@ Tungsten: lattice: cI mechanics: - elasticity: {C_11: 523.0e9, C_12: 202.0e9, C_44: 161.0e9, type: hooke} # From Marinica et al. Journal of Physics: Condensed Matter(2013) + elasticity: {type: hooke, C_11: 523.0e9, C_12: 202.0e9, C_44: 161.0e9} # Marinica et al. Journal of Physics: Condensed Matter(2013) plasticity: type: dislotwin - D: 2.0e-5 # Average grain size [m] + D: 2.0e-5 # Average grain size / m N_sl: [12] - b_sl: [2.72e-10] # Burgers vector of slip system [m] + b_sl: [2.72e-10] # Burgers vector length of slip families / m rho_mob_0: [1.0e12] rho_dip_0: [1.0] - v_0: [1.0e-4] # Initial glide velocity [m/s] - Q_s: [2.725e-19] # Activation energy for dislocation glide [J] + v_0: [1.0e-4] # Initial glide velocity / m/s + Q_s: [2.725e-19] # Activation energy for dislocation glide / J p_sl: [0.78] # p-exponent in glide velocity q_sl: [1.58] # q-exponent in glide velocity - tau_0: [1.5e8] + tau_0: [1.5e8] # solid solution strength / Pa 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 # Adj. parameter controlling the minimum dipole distance [in b] - Q_cl: 4.5e-19 # Activation energy for climb [J] + 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: [1, 1, 1.4, 1.4, 1.4, 1.4] - no_dipole_formation: True