DIFFUSION IN LIQUID ALKALI-METALS

A simple model of atomic motion has been used to calculate the velocit y autocorrelation function, its frequency spectrum, the associated mem ory function, and the self-diffusion coefficients for liquid alkali me tals. There are no adjustable parameters in the model and the only inp uts required are the interatomic potential and the pair con-elation fu nction. The predicted results are in good agreement with recent comput er simulation data. The self-diffusion coefficients are found to be ve ry close to actual experimental values for all liquid alkaline metals, including lithium, and they seem to scale, the scaling being determin ed by energy and length parameters for the interatomic potential and t he mass.