Abstracto

Semi-empirical calculation of coefficients of bulk oxygen self-diffusion in binary metal oxides

Evgenia Vykhodets

The results of semi-empirical calculations of the coefficients of bulk oxygen self-diffusion in binarymetal oxides are presented. The vacancymechanism of oxygen ion diffusion using thermal equilibriumand structural vacancies in the oxygen sublattice of these oxides is considered. The calculations are based on the empirical relationships for vacancy formation and migration enthalpies in oxide systems, which are obtained by analyzing the most reliable experimental data on bulk oxygen diffusion in oxides. Using the proposed model, the diffusion coefficients can be calculated with accuracy of one order of magnitude and the diffusion activation enthalpy – with an error of about 10%.