Studies of diffusion of a very dilute solute in liquid Cu were presented. Using the simple Enskog theory of diffusion, it was shown that the ratio of the diffusion constant of the solute to the diffusion constant of the solvent for a very dilute solution was approximately constant. This prediction was confirmed by molecular dynamics simulations although the values of ratios agreed only within 20 to 25%. In agreement with experiment, current simulations predicted that within the usually investigated temperature range, the diffusion coefficient was linearly dependent on temperature. A very small contribution of parabolic behavior could only be observed for a temperature range much wider than that available for physical experiments due to materials limitations.

A Molecular Dynamics Simulation of the Diffusion of the Solute (Au) and the Self-Diffusion of the Solvent (Cu) in a Very Dilute Liquid Cu-Au Solution. Szpunar, B., Smith, R.W.: Journal of Physics - Condensed Matter, 2010, 22[3], 035105