Approximate expressions were derived for the phenomenological coefficients for vacancy-mediated matter-transport in a simple model of an ordered alloy. The leading coefficients of the Taylor series expansion of the time-correlation functions were calculated by using a new procedure and were used to construct 2 approximations to the Mori continued-fraction representation. Resultant numerical results for the transport coefficients were compared with some computer simulation results. It was concluded that the Mori method, as previously applied to the random-alloy model, could be applied with equal success to a model with ordering.

Phenomenological Coefficients for Matter Transport in a Model of an Ordered Alloy Z.Qin, A.R.Allnatt, E.L.Allnatt: Philosophical Magazine A, 1997, 76[3], 615-31