Diffusion via vacancies in a binary bcc ordered alloy was simulated using a Monte Carlo method. Collective correlation factors and the average cosines of the angle between the first jump of a species and the second of the same species (diagonal) or of the other species (off-diagonal) were calculated, the latter for each sub-lattice as well as in an average sense. The cosine relations were generally not as successful in approximating the correlation factors as compared with the earlier tracer study by Murch and Zhang. The cosine relations for the diagonal correlation factors were in reasonable agreement if they were applied to the sub-lattice components of the correlation factor and the total correlation factor formed as the harmonic mean.

Collective Correlation Factors in the Ising Ordered Alloy with the B2 Structure. G.E.Murch, I.V.Belova, H.Zhang: Defect and Diffusion Forum, 1996, 136-137, 1-20