Potential effects on atomic motions in liquid alkali metals

Abstract

Molecular dynamics simulations of liquid sodium and cesium have been carried out using the Dagens-Rasolt-Taylor (DRT) interatomic potentials. Results for the static pair correlation function and the velocity autocorrelation function have been obtained and compared with similarly obtained recent data using the Price-Singwi-Tosi (PST) potentials. Both potentials are found to provide excellent agreement with experimental static pair correlation function. Results for the velocity autocorrelation function do not seem to be too different in spite of the fact that the DRT potentials possess no scaling features as exhibited by the PST potentials. However, the mean square displacement of the particles are found to reveal more clearly the effects of differences in potentials.