Use of effective potentials to simulate self-diffusion in silica

Using recent ab initio studies, we define the criteria which should have to be met by effective potentials to be of some help in the study of self-dif fusion of oxygen (energy, partial molar volume and relaxation). Unfortunate ly, generally the effective potentials are not able to provide a good repre sentation of defective solids. Some changes have been proposed to make them of some help.