Module Parameters

  #------------------------------------------------------------------------------------------------------------------------------------------ #
  # Librairies
  #------------------------------------------------------------------------------------------------------------------------------------------#

  import numpy as np
  import math

  #------------------------------------------------------------------------------------------------------------------------------------------ #
  # Parameters
  #------------------------------------------------------------------------------------------------------------------------------------------#

  def get_parameters():
      '''
      Define the parameters used in the simulation.
      '''
      #---------------------------------------------------------------------#
      # Norrmalization
      n_dist = 100*1e-6 # m
      n_time = 24*60*60 # s
      n_mol = 0.73*1e3 * n_dist**3 # mol

      #---------------------------------------------------------------------#
      # Algorithm

      n_ite_max = 50 # number of iterations
      n_proc = 8 # number of processors used
      j_total = 0 # index global of results
      j_movie = 0 # index global of the movie
      save_simulation = False # indicate if the simulation is saved
      n_max_vtk_files = 2 # maximum number of vtk files (can be None to save all files)

      # Select Figures to plot
      # Available:
      # ic, diff_map, tilt, processor, config, movie
      # front, m_c_well, fit, mass_loss, eta_profile, as
      # tilt_in_film, sat_in_film, c_removed, c_removed_map
      L_figures = ['front', 'm_c_well', 'config', 'sat_in_film', 'movie', 'as']

      # max profile in plot
      max_plot = 10

      # the time stepping and duration of PF simulation
      dt_PF = (0.0001*24*60*60)/n_time # time step
      n_t_PF = 300 # number of iterations
      # n_t_PF*dt_PF gives the total time duration

      #---------------------------------------------------------------------#
      # Sollicitation
      # the solid activity is computed with as=exp(PV/RT)

      # pressure
      pressure_applied = (200*1e6)/(1/(n_dist*n_time**2)) # (kg m-1 s-2)/(m-1 s-2)
      # temperature
      temperature = 623 # K
      # molar volume
      V_m = (2.2*1e-5)/(n_dist**3/n_mol) # (m3 mol-1)/(m3 mol-1)
      # constant
      R_cst = (8.32)/(n_dist**2/(n_time**2*n_mol)) # (kg m2 s-2 mol-1 K-1)/(m2 s-2 mol-1)

      # adapt ic
      adapt_ic = False
      L_adapt_as_ic = [1.151, 1.138, 1.094, 1.001, 0.842, 0.686]
      L_adapt_x_ic = [0, 0.22, 0.435, 0.65, 0.865, 1.075]

      # control the front
      control_front = True
      # monitor, constant
      control_technique = 'monitor'
      # monitor
      control_front_factor = 40 #m/m / -
      # constant adaptation
      #control_front_factor = 0.04

      #---------------------------------------------------------------------#
      # Indenter description

      # the size of grain / indenter
      d_indenter = (400*1e-6)/n_dist # m/m
      h_grain = (15*1e-6)/n_dist # m/m

      #---------------------------------------------------------------------#
      # Mesh

      # size of the mesh
      m_size_mesh = (d_indenter/2)/200

      #---------------------------------------------------------------------#
      # PF material parameters

      # the energy barrier
      Energy_barrier = 1
      # number of mesh in the interface
      n_int = 6
      # the interface thickness
      w = m_size_mesh*n_int
      # the gradient coefficient
      kappa_eta = Energy_barrier*w*w/9.86
      # Mobility
      mobility = (100*1e-6/(24*60*60))/(n_dist/n_time) # m.s-1/(m.s-1)
      # the criteria on residual
      crit_res = 1e-7

      #---------------------------------------------------------------------#
      # Indenter description

      # Solute well
      size_solute_well = 8*m_size_mesh #

      # Tubes
      size_tube = m_size_mesh*15 # m/m

      #---------------------------------------------------------------------#
      # Mesh

      x_min = 0
      x_max = d_indenter/2 + size_tube
      y_min = 0
      y_max = h_grain + size_solute_well + size_tube
      n_mesh_x = int((x_max-x_min)/m_size_mesh+1)
      n_mesh_y = int((y_max-y_min)/m_size_mesh+1)

      #---------------------------------------------------------------------#
      # kinetics of dissolution, precipitation and diffusion

      # molar concentration at the equilibrium
      C_eq = (0.73*1e3)/(n_mol/n_dist**3) # (mol m-3)/(mol m-3)

      # it affects the tilting coefficient in Ed
      k_diss = 1*(0.005)/(m_size_mesh) # ed_j = ed_i*m_i/m_j
      k_prec = 0 # -
      # here
      # k_prec = k_diss/C_eq

      # diffusion of the solute
      # linked to the size of the tube
      D_solute = (4e-14/size_tube)/(n_dist*n_dist/n_time) # (m2 s-1)/(m2 s-1)

      #---------------------------------------------------------------------#
      # trackers

      y_front_L = []
      min_y_front_L = []
      max_y_front_L = []
      m_c_well_L = []
      time_L = []
      moose_eta = []
      moose_c = []
      moose_mass = []
      moose_eta_p = []
      moose_c_p = []
      moose_mass_p = []
      L_m_ed_in_film = []
      L_L_ed_in_film = []
      L_m_sat_in_film = []
      L_L_sat_in_film = []
      L_L_eta_center = []
      L_L_eta_ext = []
      L_L_as = []
      s_solute_moved_L = []
      L_L_p_solute_moved = []

      #---------------------------------------------------------------------#
      # dictionnary

      dict_user = {
      'n_dist': n_dist,
      'n_time': n_time,
      'n_mol': n_mol,
      'n_ite_max': n_ite_max,
      'n_proc': n_proc,
      'j_total': j_total,
      'j_movie': j_movie,
      'save_simulation': save_simulation,
      'n_max_vtk_files': n_max_vtk_files,
      'L_figures': L_figures,
      'max_plot': max_plot,
      'kappa_eta': kappa_eta,
      'mobility': mobility,
      'crit_res': crit_res,
      'n_int': n_int,
      'w_int': w,
      'Energy_barrier': Energy_barrier,
      'n_t_PF': n_t_PF,
      'k_diss': k_diss,
      'k_prec': k_prec,
      'C_eq': C_eq,
      'D_solute': D_solute,
      'dt_PF': dt_PF,
      'pressure_applied': pressure_applied,
      'adapt_ic': adapt_ic,
      'L_adapt_as_ic': L_adapt_as_ic,
      'L_adapt_x_ic': L_adapt_x_ic,
      'control_front': control_front,
      'control_technique': control_technique,
      'control_front_factor': control_front_factor,
      'temperature': temperature,
      'R_cst': R_cst,
      'V_m': V_m,
      'x_min': x_min,
      'x_max': x_max,
      'y_min': y_min,
      'y_max': y_max,
      'm_size_mesh': m_size_mesh,
      'n_mesh_x': n_mesh_x,
      'n_mesh_y': n_mesh_y,
      'd_indenter': d_indenter,
      'h_grain': h_grain,
      'size_solute_well': size_solute_well,
      'size_tube': size_tube,
      'y_front_L': y_front_L,
      'min_y_front_L': min_y_front_L,
      'max_y_front_L': max_y_front_L,
      'm_c_well_L': m_c_well_L,
      'time_L': time_L,
      'moose_eta': moose_eta,
      'moose_c': moose_c,
      'moose_m': moose_mass,
      'moose_eta_p': moose_eta_p,
      'moose_c_p': moose_c_p,
      'moose_m_p': moose_mass_p,
      'L_m_ed_in_film': L_m_ed_in_film,
      'L_L_ed_in_film': L_L_ed_in_film,
      'L_m_sat_in_film': L_m_sat_in_film,
      'L_L_sat_in_film': L_L_sat_in_film,
      'L_L_eta_center': L_L_eta_center,
      'L_L_eta_ext': L_L_eta_ext,
      'L_L_as': L_L_as,
      's_solute_moved_L': s_solute_moved_L,
      'L_L_p_solute_moved': L_L_p_solute_moved
      }

      return dict_user