takeover from original paper

examples/config/Phase_DisloUCLA_Tungsten.config

@@ -1,42 +0,0 @@
-[Tungsten]
-elasticity          hooke
-plasticity	    disloucla 
-
-(output)           edge_density
-(output)           dipole_density
-(output)           shear_rate_slip
-(output)           accumulated_shear_slip
-(output)           resolved_stress_slip
-(output)           threshold_stress_slip
-
-grainsize             2.7e-5        # Average grain size [m] 2.0e-5
-SolidSolutionStrength 0.0           # Strength due to elements in solid solution
-
-### Dislocation glide parameters ###
-#per family
-Nslip               12
-slipburgers         2.72e-10                # Burgers vector of slip system [m]
-rhoedge0            1.0e12                  # Initial edge dislocation density [m/m**3]
-rhoedgedip0         1.0                     # Initial edged dipole dislocation density [m/m**3]
-Qedge               2.61154e-19             # Activation energy for dislocation glide [J], 1.63 eV
-v0                  1                       # Initial glide velocity [m/s]
-p_slip              0.86                    # p-exponent in glide velocity
-q_slip              1.69                    # q-exponent in glide velocity
-tau_peierls         2.03e9                  # peierls stress [Pa]
-
-#mobility law
-kink_height	    2.567e-10                   # kink height sqrt(6)/3*lattice_parameter [m]
-omega		        9.1e11	                    # attemp frequency (from kMC paper) [s^(-1)]
-kink_width	    29.95e-10                   # kink pair width ~ 11 b (kMC paper) [m]
-dislolength	    78e-10	                    # dislocation length (ideally lambda) [m] initial value 11b
-friction_coeff  8.3e-5                      # friction coeff. B [Pa*s]
-
-#hardening
-dipoleformationfactor 0                     # to have hardening due to dipole formation off
-CLambdaSlip         10.0                    # Adj. parameter controlling dislocation mean free path
-D0                  4.0e-5                  # Vacancy diffusion prefactor [m**2/s]
-Qsd                 4.5e-19                 # Activation energy for climb [J]
-Catomicvolume       1.0                     # Adj. parameter controlling the atomic volume [in b]
-Cedgedipmindistance 1.0                     # Adj. parameter controlling the minimum dipole distance [in b]
-interaction_slipslip     0.009 0.72 0.009 0.05 0.05 0.06 0.09
-nonschmid_coefficients   0.938 0.71 4.43 0.0 0.0 0.0

examples/config/Phase_Dislotungsten_W.yaml

@@ -0,0 +1,26 @@
+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]