Structural modelling of liquid NaxCs1-x alloys using the reverse Monte Carlo method

被引：11

作者：

Arai, T ^{[1
]}

McGreevy, RL

机构：

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

[2] CCLRC, Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2005年 / 17卷 / 05期

关键词：

D O I：

10.1088/0953-8984/17/5/003

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The structures of liquid NaxCs1-x alloys have been modelled using the reverse Monte Carlo method on the basis of x-ray and neutron diffraction data. The partial structure factors and partial radial distribution functions obtained were consistent with previous work. The average coordination numbers and coordination number distributions for the four distinct kinds of atom pairs have been calculated over a wide range of composition. Cs forms complex clusters near 85 at.% Na, near to the maximum of the density fluctuation in these alloys.

引用

页码：S23 / S30

页数：8

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