new style examples

2021-07-04 19:38:53 +02:00 · 2021-07-04 19:38:53 +02:00 · b465a6d615
parent f0a75d8d62
commit b465a6d615
8 changed files with 83 additions and 65 deletions
--- a/2
+++ b/2
@ -1 +1 @@
-Subproject commit 89ee5ced410c0d7f50ef20e39080f2c637b1b0f7
+Subproject commit 5bdddaab80eb42a04393d4cd85079ff83d5a6d53
--- 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
--- a/examples/config/Phase_Isotropic_FreeSurface.yaml
+++ b/examples/config/Phase_Isotropic_FreeSurface.yaml
@ -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
--- a/examples/config/Phase_Phenopowerlaw_cpTi.yaml
+++ b/examples/config/Phase_Phenopowerlaw_cpTi.yaml
@ -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]
--- a/examples/config/phase/mechanical/elastic/Hooke_TWIP-steel.yaml
+++ 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
--- a/examples/config/phase/mechanical/elastic/Hooke_vanishing-Poisson-ratio.yaml
+++ 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
--- a/examples/config/phase/mechanical/plastic/isotropic_free-surface.yaml
+++ 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
--- a/examples/config/phase/mechanical/plastic/phenopowerlaw_Ti.yaml
+++ 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]