Computer simulation study of the Manning relations and related approximations in a strictly regular solution model

Abstract

The phenomenological coefficients and the tracer diffusion coefficients for a strictly regular solution model of a binary f.c.c. alloy with a very small vacancy content have been calculated by Monte Carlo simulations for four temperatures above the critical solution temperature over the complete concentration range. The results have been used to test the Manning relations, which express the phenomenological coefficients in terms of the tracer diffusion coefficients, and some related approximations. The Manning relations are not adequate to calculate intrinsic diffusion coefficients over the complete composition range.