A review was presented of the simulation techniques that were used to calculate diffusion coefficients and defect energies; especially molecular dynamics and self-diffusion. It was noted that the techniques could be divided into 2 types. In one type, the diffusion coefficients were calculated directly by using molecular dynamics. In the other type, energy minimization was combined with molecular dynamics calculations in order to calculate the defect energies and their diffusivities.

M.Meyer: Journal de Physique III, 1995, 5[11], 1771-86