Added example DiluteAlCu

Author: jeanlucf22

examples/DiluteAlCu/2d.input

@@ -0,0 +1,110 @@
+// Units are:
+//   length: um = 10^-6 m
+//   energy: pJ = 10^-12 J
+//
+model_type = "KWCcomplex"
+
+end_time = 1.e-2  // required
+max_timesteps = 5000  // optional, default is INT_MAX (alias: max_cycles)
+
+Verbosity {  // optional, block
+   level = 1  // optional, default=1
+}
+
+Visit {
+   interval = 1.e-4
+   interval_type = "time"
+}
+
+TimerManager {
+    timer_list = "solv::*::*","xfer::*::*","AMPE::*::*"
+    print_threshold = 0.0
+}
+
+ModelParameters {  // required block
+
+   epsilon_anisotropy = 0.03 //delta
+
+   H_parameter = 0. // we need quaternions to define anisotropy
+
+   epsilon_phi = 0.2   // [(pJ/um)^1/2]
+
+   phi_mobility_type = "kim"
+   //phi_mobility = 1.e3
+
+   orient_mobility = 1.
+   epsilon_orient = 1.e3 // to avoid negative diffusion for q
+
+   // free energy parameters:
+   // f(phi) = scale_energy_well*g(phi)
+   // where g is a double well potential
+   phi_well_scale = 0.3 // [pJ/um^3]
+   phi_well_func_type = "double"
+
+   Temperature{
+      temperature = 915.
+   }
+
+   ConcentrationModel {
+      model = "dilute"
+      //antitrapping = TRUE
+      rhs_form = "ebs"
+      molar_volume = 1.095e-5
+
+      liquidus_slope = -640 // K
+      meltingT = 933. // K
+      keq      = 0.14
+
+      diffusion_type = "temperature_dependent"
+      D_solid  =  3.e-1 //um**2/s
+      D_liquid  = 3.e3  //um**2/s
+      Q0_solid  = 0.    // [J/mol]
+      Q0_liquid = 0.    // [J/mol]
+   }
+
+   phi_interp_func_type ="pbg"
+   conc_interp_func_type = "l"
+   diffusion_interp_func_type = "l"
+
+   BoundaryConditions {
+      Phase{
+         boundary_0 = "slope", "0"
+         boundary_1 = "slope", "0"
+         boundary_2 = "slope", "0"
+         boundary_3 = "slope", "0"
+      }
+      Conc{
+         boundary_0 = "slope", "0"
+         boundary_1 = "slope", "0"
+         boundary_2 = "slope", "0"
+         boundary_3 = "slope", "0"
+      }
+      Quat{
+         boundary_0 = "slope", "0"
+         boundary_1 = "slope", "0"
+         boundary_2 = "slope", "0"
+         boundary_3 = "slope", "0"
+      }
+   }
+}
+
+InitialConditions {
+   filename = "512x512.nc"  // required
+   init_q   = 1., 0.
+}
+
+ScalarDiagnostics {
+   interval = 1.e-4
+   interval_type = "time"
+}   
+
+Integrator {
+   atol = 1.e-5
+}
+
+Geometry{
+   periodic_dimension = 0, 0
+   coarsest_level_resolution = 512, 512  // required
+   x_lo         = 0., 0. // lower end of computational domain.
+   x_up         = 32.0, 32.0 // upper end of computational domain.
+}

examples/DiluteAlCu/README

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+python ~/GIT/AMPE/utils/make_nuclei.py -x 512 -y 512 -z 1 -r 15 \
+   --ngrains 1 --concentration-in 0.003 --concentration-out 0.02 \
+   512x512.nc 
+
+