parameters from original paper (mostly)

examples/config/Phase_Dislotungsten_W.yaml

@@ -1,26 +0,0 @@
-type: dislotungsten
-
-N_sl: [12]
-
-rho_mob_0: [1.0e+9]
-rho_dip_0: [1.0]
-
-nu_a: [9.1e+11]
-b_sl: [2.72e-10]
-Delta_H_kp,0: [2.61154e-19]  # 1.63 eV, Delta_H0
-
-tau_Peierls: [2.03e+9]
-p_sl: [0.86]
-q_sl: [1.69]
-h: [2.566e-10]
-w: [2.992e-09]
-B: [8.3e-5]
-D_a: 1.0 # d_edge
-
-# climb (disabled)
-D_0: 0.0
-Q_cl: 0.0
-V_cl: [0.0]
-
-h_sl-sl: [0.009, 0.72, 0.009, 0.05, 0.05, 0.06, 0.09]
-a_nonSchmid: [0.938, 0.71, 4.43]

examples/config/phase/mechanical/plastic/dislotungsten_W.yaml

@@ -0,0 +1,30 @@
+type: dislotungsten
+references:
+  - D. Cereceda et al.,
+    International Journal of Plasticity 78:242-265, 2016,
+    http://dx.doi.org/10.1016/j.ijplas.2015.09.002
+N_sl: [12]
+b_sl: [2.72e-10]
+rho_mob_0: [1.0e+9]  # estimated from section 3.2
+rho_dip_0: [1.0]     # not given
+Q_s: [2.61154e-19]   # 1.63 eV, Delta_H0
+B: [8.3e-5]
+omega: [9.1e+11]     # nu_0
+p_sl: [0.86]
+q_sl: [1.69]
+tau_Peierls: [2.03e+9] # there is also tau_c^* = 2.92GPa, not clear in the paper
+h: [2.566e-10]
+a_nonSchmid: [0.938, 0.71, 4.43]
+h_sl-sl: [0.009, 0.72, 0.009, 0.05, 0.05, 0.06, 0.09]
+w: [2.992e-09] # 11b
+i_sl: [1]  # c, eq. (25)
+D: 1.0e+10 # d_g, eq. (25)
+D_a: 1.0 # d_edge = D_a*b
+
+# climb (disabled)
+D_0: 0.0 # disable climb
+f_at: 1
+Q_cl: 1.0
+output: [Lambda_sl]
+
+v_0: [1]