MICROSCOPIC APPROACH TO THE STRUCTURE OF LIQUID AL80MN20 AND AL80NI20 ALLOYS

被引：24

作者：

PHUONG, LD ^{[1
]}

MANH, DN ^{[1
]}

PASTUREL, A ^{[1
]}

机构：

[1] POLYTECH UNIV HANOI,DEPT PHYS,HANOI,VIETNAM

来源：

PHYSICAL REVIEW LETTERS | 1993年 / 71卷 / 03期

关键词：

D O I：

10.1103/PhysRevLett.71.372

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new tight-binding-bond approach to interatomic forces in liquid aluminum-transition metal (Al-M) alloys is presented. It is shown that the bond order depends strongly on the strength of the pd hybridization in the Al-M alloy, leading to nonadditive potentials with a strong preference for the formation of a pair of unlike atoms and short bond distances in the Al-M pairs. This is illustrated by studying the structural properties of liquid Al80Ni20 and Al80Mn20 alloys using molecular dynamics simulations and by comparing our results with the available experimental ones.

引用

页码：372 / 375

页数：4

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