Abstract

The tracer diffusion correlation factor has been studied for a simple cubic lattice gas with two energetically inequivalent sublattices and sites restricted to accommodate a maximum of one atom. The model serves as a paradigm for solids with site inequivalence but no algebraic formulae have previously been derived and compared with available Monte Carlo simulation data. An expression based on a kinetic equation theory which neglects the highest order in concentration fluctuations is shown to lead to a good description of the simulation results. The time dependence of the associated time correlation function appears to be unusually complex for diffusion in a two sublattice system. © 1997 Elsevier Science Ltd. All rights reserved

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