Grain Size DistributionsΒΆ

  • Run spparks

  • Visualize

    • Lattice: 128x128; (spparks rendered): dump image

      ../images/grain_growth.0.png ../images/grain_growth.3.png ../images/grain_growth.28.png
    • Lattice: 1024x1024; (paraview rendered)

      ../images/N.1024.kT=0.050.grains.0.png ../images/N.1024.kT=0.050.grains.3.png ../images/N.1024.kT=0.050.grains.12.png
  • Post-process and analyze grain-size distributions

    • Use python/fortran/c++ to process dump and/or cluster files

      • dump file snippet

        • header information

        • typical dump file contains 1 or more time steps (depending)

        • for brevity, snippet shows single time step

        • for brevity, snippet clips all but 2 atoms

          ITEM: TIMESTEP
          1    27.0398
          ITEM: NUMBER OF ATOMS
          1048576
          ITEM: BOX BOUNDS
          0 1024
          0 1024
          -1 1
          ITEM: ATOMS id type x y z 
          1 120505 0 0 0 
          2 120505 1 0 0 
          ...
          
    • Average growth size versus time; Note trends

    ../images/N.1024.grainsize_versus_time.jpg
    • Grain size distributions
    ../images/N.1024.kT=0.050.grains.12.png ../images/N.1024.kT=0.050.12.jpg ../images/N.1024.kT=0.250.grains.12.png ../images/N.1024.kT=0.250.12.jpg ../images/N.1024.kT=0.500.grains.12.png ../images/N.1024.kT=0.500.12.jpg