The occurrence of tracer diffusion via vacancies in an ordered body-centered cubic binary alloy was simulated by using Monte Carlo methods. The tracer correlation factors and the average cosines of the angle between the first and second tracer jumps were calculated in an average sense (regardless of the sub-lattice) as well as in a sub-lattice sense. It was found that the results for the correlation factors were considerably lower than those found in an earlier Monte Carlo study and, in general, the fit to previous analytical results deteriorated. The suggested idea of partitioning the correlation factor into sub-lattice components was found to be a generally better approximation than attempting to calculate this quantity by using average cosines; regardless of a sub-lattice.

G.E.Murch, H.Zhang: Philosophical Magazine A, 1995, 72[1], 249-65