On the basis of recent ab initio studies, criteria (energy, partial molar volume, relaxation) were defined which were expected to be met by effective potentials in order that they be helpful in the study of O self-diffusion. Unfortunately, the effective potentials were not generally able to provide a good representation of defective solids.

Use of Effective Potentials to Simulate Self-Diffusion in Silica. A.Lagraa, N.Capron, S.Carniato, G.Boureau: Radiation Effects and Defects in Solids, 1999, 151[1-4], 1041-5