Structure of Liquid Metals

Abstract

The structure factors and radial distribution functions of liquid sodium and aluminium were calculated using the Hypernetted chain equation and the Machin-Woodhead-Chihara (MWC) integral equation. Various oscillatory potentials suggested for these metals were considered in an attempt to determine the applicability of these integral equations for these potentials. The calculated results are compared with molecular dynamic simulation results. These results indicate that the HNC equation underestimates the main peak in S(k). When the Friedel oscillations are absent then MWC theory gives good results for S(k). But when Friedel oscillations are present then MWC equation reproduces simulation results beyond the main diffraction peak.