app_style phasefield/potts command

Syntax:

app_style phasefield/potts Q PFsteps lambda M_C KappaC a C1 C2 C3 C4 keyword value ... 

• phasefield/potts = application style name
• Q = number of spin states
• PFsteps = number of phase field iterations per KMC/rMC iteration
• lambda = concetration free energy parameter
• M_C = Cahn-Hilliard mobility parameter
• KappaC = Cahn-Hilliard interfacial energy parameter
• a = bulk free energy parameter
• C1 = bulk free energy parameter
• C2 = bulk free energy parameter
• C3 = bulk free energy parameter
• C4 = bulk free energy parameter
• zero or more keyword/value pairs may be appended
• keyword = reset_phasefield or print_connectivity or initialize_values or enforce_concentration_limits

    reset_phasefield value = yes or no
      if yes, enforce concentration boundary conditions: C(xlo) = 0, C(xhi) = 1.0
    print_connectivity value = yes or no
      if yes, print the neighborlist indices in the finite difference stencil
    initialize_values value = yes or no
      if yes, initializes phases with equilibrium concentration dE/dC = 0
    enforce_concentration_limits value = yes or no
      if yes, constrain site concentrations to the physical range of [0,1] 
  

Examples:

app_style phasefield/potts 200 10 0.3 1 1 0.5 0.25 0.75 0.05 0.95
app_style phasefield/potts 200 10 0.3 1 1 0.5 0.25 0.75 0.05 0.95 &
	  reset_phasefield yes &
	  print_connectivity yes &
	  initialize_values yes &
	  enforce_concentration_limits yes 

Description:

This is an on-lattice application which evolves a Q-state Potts model in combination with a phase field Cahn-Hilliard model. It can be used to efficiently simulate grain growth in a two-phase system controlled by diffusion. For a full description of the model, see the paper by Homer et al..

See the examples/potts_pfm directory for an example script using this command. See the Pictures web page for images of simulations performed with this command.

The following additional commands are defined by this application:

Restrictions: none

Related commands:

app_style potts

Default:

The keyword defaults are reset_phasefield = no, print_connectivity = no, initialize_values = no, enforce_concentration_limits = no.

(Homer) Homer, Tikare, Holm, Computational Materials Science, 69, 414-423 (2013).