Atomic transport via point defects in crystals. I. General kinetic theory of diffusion

Abstract

This paper presents a general formulation of the kinetic theory of solid state diffusion applicable to systems showing small degrees of vacancy and interstitial disorder. These equations are solved in the linear approximation, specifically for steady state conditions. The results verify the correctness of the phenomenological equations provided by non-equilibrium thermodynamics including the Onsager reciprocal relation. This theory includes previous kinetic theories made for a variety of systems as special cases and shows how systematic improvements in accuracy can be made within this framework. The relations between this theory and alternative theories, those derived from the Einstein-Smoluchowski equation and from Kubo linear response theory, are briefly touched upon.