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Real Space vs. Bit Space (Part 1): PART1; PART2

starting from a spherical cluster in empty space

3D Lattice Kinetic Monte Carlo Simulation



  • perspective view

  • unary system: atoms ('1') and vacancies ('0')

  • atomic migration is modeled by shifting 1's in the virtual bit space

  • conserved-order-parameter Ising model with nearest neighbor (NN) interaction JNN

  • f.c.c. lattice (12NNs; JNN/kTc = 0.40837) with periodic boundaries

  • here: JNN/kT = 1.0

  • color key: coordination number from red (monomers) to purple (12NNs)

  • simulation cell size = (128x128x128) a3 = 1'048'576 lattice sites

  • number of atoms = 7'011

  • time is measured in Monte Carlo steps (MCS)

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    Copyright: Lars Röntzsch, Dresden, GERMANY.