Molecular dynamics simulation study of the interdiffusion properties of liquid Na-K alloys

Abstract

We use classical molecular dynamics simulations to study the inter-diffusion properties of liquid Na-K alloys versus concentration for several compositions ranging from 10 to 90 atomic percent of Na. The self- and inter-diffusion coefficients are deduced from the successive configurations. The results are compared with the predictions of Darken's law and the validity of this approximation is discussed. © 2008 IOP Publishing Ltd.