# SPPARKS 'potts' model for modeling 'grain' growth; # Initialize microstructure with synthetic data # kT="0.5" # let Q=2048 # mpiexec -np 8 spk_flame.gnu -var kT $kT -var Q $Q < synthetic.in seed 56689 # Use 'Potts' app to simulate grain growth; # Site 'spins' can assume values of its nearest neighbors. app_style potts/neighonly ${Q} # 3d lattice; Each site has 26 neighbors dimension 3 lattice sc/26n 1.0 # Define lattice extent called 'brick'; region brick block 0 128 0 128 0 128 # Define 'axis' aligned simulation domain on 'square' create_box brick # Creates sites on lattice defined above; also creates neighborhood list for each site create_sites box # Read synthetic data read_sites spparks.init.sites # Simulation temperature; Units of energy temperature ${kT} # KMC solver solve_style tree # sectors are required to run 'tree' kmc in parallel sector yes # Diagnostic style energy computes the total energy for all sites diag_style energy # Print diagnostic information to screen and log file every 50.0 seconds stats 50.0 # Write snapshot of site values to 'synthetic.dump' every 50.0 seconds dump 1 text 50.0 synthetic.dump dump synthetic_image image 50 synthetic.*.jpg site site crange 1 ${Q} drange 1 1 boundary site 1 shape cube box no 1 zoom 1.5 size 256 256 dump_modify synthetic_image boundcolor black backcolor white pad 4 # Run for 800 steps run 800.00