The path probability method: An atomistic technique of diffusion

Abstract

The path probability method (PPM) of irreversible statistical mechanics has been successfully applied to various diffusion problems. The major advantage of this atomistic treatment over the phenomenological approach of irreversible thermodynamics is that all Onsager matrix coefficients can be derived analytically so that relations among measurable quantities can be clearly understood in terms of microscopic parameters. This review article attempts to present the PPM in the simplest possible form. The importance of the PPM as an atomistic technique is illustrated using a simple example. The applicability and limitations of the technique are also emphasized.