A review was presented of recent progress in the application of computer simulation techniques to thermodynamics and diffusion in highly non-stoichiometric materials. The study of the thermodynamics involved the application of Monte Carlo methods and its integration with lattice relaxation methods. The study of diffusion also involved the application of Monte Carlo methods; especially with regard to concentrated and defective systems, and integration with lattice relaxation methods. The testing of relationships between phenomenological coefficients, tracer diffusivities and ionic conductivities was considered.

G.E.Murch: Radiation Effects and Defects in Solids, 1995, 134[1-4], 1-6