Simulation

A simulation consists of a prescription for the calculation of the energy combined with a numerical solution of the equation of motion for the system.

For KMC the prescription for the calculation of the energy of the system consists of a table of the kinetics parameters, i.e the preexponentail factor and activation energy, for each of the elementary reactions in the system.

For KMC the equation of motion is obviously the KMC algorithm.

  1. Software
  2. Phases in a simulation
  3. Timesteps


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Author Per Stoltze stoltze@fysik.dtu.dk