Simulations were used to investigate the diffusion processes in the liquid metal alloys NacK1-c at three different concentrations. Self-correlation and distinct velocity correlation functions, together with the corresponding diffusion coefficients, were calculated and analysed in order to study the phase-separation phenomenon. It was found that the Na3K3 and Na5K5 compositions displayed significant dynamic cross-correlations, indicating a de-mixing behaviour for these alloys, whereas the Na8K2 alloy was a nearly ideal mixture. The results agreed well with experimental observations of a tendency towards phase separation exhibited by liquid Na-K alloys.

A Molecular Dynamics Study of the Diffusion Processes in Liquid Na-K Alloys. Baumketner, A., Chushak, Y.: Journal of Physics - Condensed Matter, 1999, 11[2-6], 1397-408