Abstract

Abstract The chemical potential μ and the kinetics of the nearest-neighbour-site-exclusion simple-cubic lattice gas have been investigated using the Monte Carlo method. The existence of a second-order phase transition at a reduced density of 0-43 and with μ/kT = 0.06 has been verified. It is shown that the Haven ratio, the ratio of the tracer-atom correlation factor to the physical correlation factor, exhibits a minimum at this second-order phase transition. The consequences and possibilities of this finding are discussed. We have also calculated the rigorous compositional form of the athermal lattice-gas ionic conductivity for comparison with fluorite-related oxides. The tracer-atom diffusivity was also calculated for qualitative comparison with some light-atom diffusivities in interstitial alloys.

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