diff --git a/PRIVATE b/PRIVATE index 1361c4a9f..d892259f0 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 1361c4a9f090a76dfcec5bd6dd4eb5e3b4b78cb2 +Subproject commit d892259f0f15785b2393dee6fe015f8ba2b09809 diff --git a/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml b/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml index fb3139e46..c776bd308 100644 --- a/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml +++ b/examples/config/Phase_Dislotwin_TWIP-Steel-FeMnC.yaml @@ -20,12 +20,6 @@ TWIP_Steel_FeMnC: 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) -# shear band parameters - xi_sb: 180.0e+6 - 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 N_tw: [12] b_tw: [1.47e-10] # Burgers vector length of twin system / b diff --git a/examples/config/Phase_Dislotwin_Tungsten.yaml b/examples/config/Phase_Dislotwin_Tungsten.yaml deleted file mode 100644 index 4cb8c7955..000000000 --- a/examples/config/Phase_Dislotwin_Tungsten.yaml +++ /dev/null @@ -1,21 +0,0 @@ -Tungsten: - lattice: cI - mechanical: - elastic: {type: Hooke, C_11: 523.0e+9, C_12: 202.0e+9, C_44: 161.0e+9} # Marinica et al. Journal of Physics: Condensed Matter(2013) - plastic: - type: dislotwin - D: 2.0e-5 # Average grain size / m - N_sl: [12] - b_sl: [2.72e-10] # Burgers vector length of slip families / m - rho_mob_0: [1.0e+12] - 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 - p_sl: [0.78] # p-exponent in glide velocity - q_sl: [1.58] # q-exponent in glide velocity - tau_0: [1.5e+8] # 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 # minimum dipole distance / b - Q_cl: 4.5e-19 # Activation energy for climb / J - h_sl-sl: [1, 1.4, 1, 1.4, 1.4, 1.4, 1.4] diff --git a/examples/config/Phase_Phenopowerlaw_Magnesium.yaml b/examples/config/Phase_Phenopowerlaw_Magnesium.yaml index 924be88a3..4d4b9eb8e 100644 --- a/examples/config/Phase_Phenopowerlaw_Magnesium.yaml +++ b/examples/config/Phase_Phenopowerlaw_Magnesium.yaml @@ -1,28 +1,20 @@ -# Tromans 2011, Elastic Anisotropy of HCP Metal Crystals and Polycrystals -Magnesium: - lattice: hP - c/a: 1.62350 - mechanical: - output: [F, P, F_e, F_p, L_p, O] - elastic: {C_11: 59.3e+9, C_12: 25.7e+9, C_13: 21.4e+9, C_33: 61.5e+9, C_44: 16.4e+9, type: Hooke} - plastic: - N_sl: [3, 3, 0, 6, 0, 6] - N_tw: [6, 0, 0, 6] - h_0_tw-tw: 50.0e+6 - h_0_sl-sl: 500.0e+6 - h_0_tw-sl: 150.0e+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] - h_tw-tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] - h_sl-tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] - h_tw-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] - output: [xi_sl, xi_tw] - type: phenopowerlaw - xi_0_sl: [10.e+6, 55.e+6, 0., 60.e+6, 0., 60.e+6] - xi_inf_sl: [40.e+6, 135.e+6, 0., 150.e+6, 0., 150.e+6] - xi_0_tw: [40.e+6, 0., 0., 60.e+6] - a_sl: 2.25 - dot_gamma_0_sl: 0.001 - dot_gamma_0_tw: 0.001 - n_sl: 20 - n_tw: 20 - f_sat_sl-tw: 10.0 +N_sl: [3, 3, 0, 6, 0, 6] +N_tw: [6, 0, 0, 6] +h_0_tw-tw: 50.0e+6 +h_0_sl-sl: 500.0e+6 +h_0_tw-sl: 150.0e+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] +h_tw-tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] +h_sl-tw: [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1] +h_tw-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] +output: [xi_sl, xi_tw] +type: phenopowerlaw +xi_0_sl: [10.e+6, 55.e+6, 0., 60.e+6, 0., 60.e+6] +xi_inf_sl: [40.e+6, 135.e+6, 0., 150.e+6, 0., 150.e+6] +xi_0_tw: [40.e+6, 0., 0., 60.e+6] +a_sl: 2.25 +dot_gamma_0_sl: 0.001 +dot_gamma_0_tw: 0.001 +n_sl: 20 +n_tw: 20 +f_sat_sl-tw: 10.0 diff --git a/examples/config/Phase_Phenopowerlaw_cpTi.yaml b/examples/config/Phase_Phenopowerlaw_cpTi.yaml index f4725e218..2e3b404b6 100644 --- a/examples/config/Phase_Phenopowerlaw_cpTi.yaml +++ b/examples/config/Phase_Phenopowerlaw_cpTi.yaml @@ -1,20 +1,13 @@ # 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 -cpTi: - lattice: hP - c/a: 1.587 - mechanical: - output: [F, P, F_e, F_p, L_p, O] - elastic: {C_11: 160.0e+9, C_12: 90.0e+9, C_13: 66.0e+9, C_33: 181.7e+9, C_44: 46.5e+9, type: Hooke} - plastic: - 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] +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/Mg.yaml b/examples/config/phase/Mg.yaml new file mode 100644 index 000000000..5983f8888 --- /dev/null +++ b/examples/config/phase/Mg.yaml @@ -0,0 +1,7 @@ +references: + - D. Tromans, + International Journal of Recent Research and Applied Studies 6(4), 462-483, 2011, + www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf +lattice: hP +c/a: 1.62350 +rho: 1740.0 diff --git a/examples/config/phase/mechanical/elastic/Hooke_Mg.yaml b/examples/config/phase/mechanical/elastic/Hooke_Mg.yaml new file mode 100644 index 000000000..80e4d26e8 --- /dev/null +++ b/examples/config/phase/mechanical/elastic/Hooke_Mg.yaml @@ -0,0 +1,10 @@ +type: Hooke +references: + - D. Tromans, + International Journal of Recent Research and Applied Studies 6(4), 462-483, 2011, + www.arpapress.com/Volumes/Vol6Issue4/IJRRAS_6_4_14.pdf +C_11: 59.3e+9 +C_33: 61.5e+9 +C_44: 16.4e+9 +C_12: 25.7e+9 +C_13: 21.4e+9