A relationship between structural, thermodynamic, transport and surface properties of liquid metals: a hard-sphere description

被引：48

作者：

Yokoyama, I ^{[1
]}

机构：

[1] Natl Def Acad, Dept Math & Phys, Yokosuka, Kanagawa 2398686, Japan

来源：

PHYSICA B | 2000年 / 291卷 / 1-2期

关键词：

excess entropy; self-diffusion coefficient; viscosity coefficient; surface tension; liquid metals; hard-sphere model;

D O I：

10.1016/S0921-4526(99)01871-2

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Using the values of the self-diffusion coefficient, D-HS, in the hard-sphere fluid obtained by computer simulations, we have investigated a relationship between structural, thermodynamic, transport and surface properties of liquid metals near the melting point. The packing fraction, xi, used in this D-HS were determined from the excess entropy including a contribution arising from the softness of the interatomic forces. The value of xi thus determined is 0.463, by which the hard-sphere structure factor can well describe experimental structure factor data of liquid metals near the melting point. Then, the viscosity coefficient, eta, and the surface tension, gamma, were calculated using D-HS. The surface entropy and the temperature derivative of eta at constant volume were also calculated with xi = 0.463. Predicted values of the transport and the surface properties are reasonable in comparison with available experimental data. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：145 / 151

页数：7