new slab and crit_rad files

exec/multispec/_Examples/inputs_wallbc

@@ -0,0 +1,120 @@
+  #-----------------------------------------------
+  # Problem geometry
+  #-----------------------------------------------
+  prob_lo               = 0.      0.      0.                	# physical lo coordinate
+  prob_hi               = 1.6e-6  1.6e-6  1.6e-6              	# physical hi coordinate [units: cm]
+  prob_type             = 4                                 	# refer to Init.cpp. 4: slab with thickness = 2*radius_cyl
+  radius_cyl            = 0.0e-7
+  smoothing_width       = 0.25
+
+  n_cells               = 16 16 16                          	# number of cells in domain. IMP: 0.5 nm for deterministic simulations
+  max_grid_size         = 8 8 8                             	# max number of cells in a box
+  fixed_dt              = 1.e-13                            	# Time-step control
+
+  #-----------------------------------------------
+  # Simulation parameters
+  #-------------------------------------------------------------------------------------------
+  #                            Thermodynamic and transport properties                        |
+  #-------------------------------------------------------------------------------------------
+  # Temperature (K)  | 235    | 240    | 245    | 250    | 255    | 260    | 265    | 270    |
+  #-------------------------------------------------------------------------------------------
+  # c0_water         | 0.0957 | 0.0820 | 0.0687 | 0.0558 | 0.0431 | 0.0308 | 0.0186 | 0.0066 |
+  # c0_ice           | 1.0591 | 1.0539 | 1.0480 | 1.0415 | 1.0341 | 1.0259 | 1.0167 | 1.0064 |
+  # mu_water (Poise) | 0.2588 | 0.1279 | 0.0782 | 0.0536 | 0.0394 | 0.0304 | 0.0243 | 0.0200 |
+  # rho (g/cm^3)     | 0.9676 | 0.9789 | 0.9862 | 0.9912 | 0.9946 | 0.9970 | 0.9986 | 0.9995 |
+  # M_phi ()         | 0.0205 | 0.0455 | 0.0817 | 0.1274 | 0.0000 | 0.2718 | 0.0000 | 0.0000 |
+  #-------------------------------------------------------------------------------------------
+
+  k_B                   = 1.3806488e-16                     	# Boltzmann's constant [units: erg/K]
+  T_init                = 235.0  	                        # [units: K] IMP: Change visc_coef, rho, c_init_1, c_init_2 accordingly.
+  M_phi                 = 0.0205				# Mobility in AC equation
+
+  # Viscous friction L phi operator
+  # if abs(visc_type) = 1, L = div beta grad
+  # if abs(visc_type) = 2, L = div [ beta (grad + grad^T) ]
+  # if abs(visc_type) = 3, L = div [ beta (grad + grad^T) + I (gamma - (2/3)*beta) div ]
+  # positive = assume constant coefficients
+  # negative = assume spatially-varying coefficients
+  visc_coef             = 0.2588                           	# [units: g*cm-1*s-1] dynamic (shear) viscosity of water at T_init
+  visc_type             = 1
+
+  nspecies              = 2
+  fh_monomers           = 1. 1.
+  monomer_mass          = 2.98e-23                          	# [units: g] (mass per molecule, *not* molar mass)
+  rho0                  = 0.9676                            	# [units: g/cm^3]
+  rhobar                = 0.9676 0.9676                     	# pure component densities for all species. Same for ice and water for now.
+
+  # initial values for c (phi)
+  c_init_1              = 0.0957 1.0591                    	# ice   ~ -1.605e-05*T_init^2+0.006603*T_init+0.3938
+  c_init_2              = 1.0591 0.0957                     	# water ~ -0.002575*T_init+0.7005
+
+  #-----------------------------------------------
+  # Boundary conditions
+  #-----------------------------------------------
+
+  # -1 = periodic
+  #  1 = slip
+  #  2 = no-slip
+  bc_vel_lo             = -1 2 -1
+  bc_vel_hi             = -1 2 -1
+
+  # -1 = periodic
+  #  1 = wall
+  #  2 = reservoir (Dirichlet values must be suppled by other means)
+  bc_mass_lo            = -1 2 -1
+  bc_mass_hi            = -1 2 -1
+  bc_Yk_y_lo 		= 0.0957 1.0591     			# lo BC Dirichlet values
+  bc_Yk_y_hi 		= 1.0591 0.0957     			# hi BC Dirichlet values
+
+  #-----------------------------------------------
+  # Simulation controls
+  #-----------------------------------------------
+  max_step              = 10000000
+  plot_int              = 1000
+  chk_int               = 2000000
+  restart               = 2000000
+  use_ice_nucleation    = 1                                 	# usual multispec if set to 0
+  algorithm_type        = 6
+  is_ideal_mixture      = 0
+
+  #-----------------------------------------------
+  # Stochastic parameters
+  #-----------------------------------------------
+  seed                  = 1
+  variance_coef_mom     = 1.
+  variance_coef_mass    = 1.
+  initial_variance_mom  = 0.
+
+  struct_fact_int       = -1
+  n_steps_skip          = 0
+
+  mg_verbose            = 0                                 	# multigrid verbosity
+
+  #-----------------------------------------------
+  # Staggered multigrid solver parameters
+  #-----------------------------------------------
+  stag_mg_verbosity     = 0          # verbosity
+  stag_mg_max_vcycles   = 1         # max number of v-cycles
+  stag_mg_minwidth      = 2            # length of box at coarsest multigrid level
+  stag_mg_bottom_solver = 0       # bottom solver type
+  # 0 = smooths only, controlled by mg_nsmooths_bottom
+  # 4 = Fancy bottom solve that coarsens additionally
+  #     and then applies stag_mg_nsmooths_bottom smooths
+  stag_mg_nsmooths_down = 2  # number of smooths at each level on the way down
+  stag_mg_nsmooths_up   = 2    # number of smooths at each level on the way up
+  stag_mg_nsmooths_bottom = 8     # number of smooths at the bottom
+  stag_mg_max_bottom_nlevels = 10 # for stag_mg_bottom_solver 4, number of additional levels of multigrid
+  stag_mg_omega         = 1.e0            # weighted-jacobi omega coefficient
+  stag_mg_smoother      = 1            # 0 = jacobi; 1 = 2*dm-color Gauss-Seidel
+  stag_mg_rel_tol       = 1.e-9         # relative tolerance stopping criteria
+
+  #-----------------------------------------------
+  # GMRES solver parameters
+  #-----------------------------------------------
+  gmres_rel_tol         = 1.e-12                # relative tolerance stopping criteria
+  gmres_abs_tol         = 0                     # absolute tolerance stopping criteria
+  gmres_verbose         = 1                     # gmres verbosity; if greater than 1, more residuals will be printed out
+  gmres_max_outer       = 20                  # max number of outer iterations
+  gmres_max_inner       = 5                   # max number of inner iterations, or restart number
+  gmres_max_iter        = 100                  # max number of gmres iterations
+  gmres_min_iter        = 1                    # min number of gmres iterations