Study of concentration fluctuations in liquid Li-Na alloy

Abstract

810-813<span style="font-size: 15.0pt;mso-bidi-font-size:8.0pt;font-family:" times="" new="" roman","serif""="">The concentration fluctuations in the long-wavelength limit, Scc(O), in liquid Li-Na alloy have been studied using the Bhatia-March formula, re-derived for <span style="font-size:13.0pt;mso-bidi-font-size:6.0pt;font-family: HiddenHorzOCR;mso-hansi-font-family:" times="" new="" roman";mso-bidi-font-family:="" hiddenhorzocr"="">binary <span style="font-size:15.0pt;mso-bidi-font-size: 8.0pt;font-family:" times="" new="" roman","serif""="">liquid alloys by Hoshino and Young from the first principle <span style="font-size:13.0pt;mso-bidi-font-size: 6.0pt;font-family:HiddenHorzOCR;mso-hansi-font-family:" times="" new="" roman";="" mso-bidi-font-family:hiddenhorzocr"="">calculations. <span style="font-size: 15.0pt;mso-bidi-font-size:8.0pt;font-family:" times="" new="" roman","serif""="">The effective inter-atomic pair potentials in the binary liquid alloy are obtained in the pseudopotential formulism. Since Li possesses simple Is electronic structure, the choice of the pseudopotential is critical for it. The effect of the choice of the input parameter, namely core radius. in the Ashcroft pseudopotential and different local field correction to the dielectric function. on the effective pair potential in Li has been studied. It has been found that, the Ashcroft potential with a suitable choice of the core radius still works. The concentration dependence of S<span style="mso-bidi-font-size: 4.0pt;font-family:" arial","sans-serif""="">cc<span style="font-size: 15.0pt;mso-bidi-font-size:8.0pt;font-family:" times="" new="" roman","serif""="">(0) shows asymmetrical behaviour in qualitative agreement with molecular dynamics results of Mori <span style="font-size:15.5pt;mso-bidi-font-size:8.5pt; font-family:" times="" new="" roman","serif""="">et al. , J Phys Soc Japan, 61 (1992) 1218. The asymmetrical behaviour <span style="font-size: 15.0pt;mso-bidi-font-size:8.0pt;font-family:" times="" new="" roman","serif""="">indicates the phase separation tendency in the Li-Na alloy. </span