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Collective ionic dynamics in the liquid Na-Cs alloy:: An ab initio molecular dynamics study -: art. no. 041204

被引：33
作者：
Blanco, J [1 ]
González, DJ
González, LE
López, JM
Stott, MJ
机构：
[1] Univ Valladolid, Fac Ciencias, Dept Fis Teor, E-47011 Valladolid, Spain
[2] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada
来源：
PHYSICAL REVIEW E | 2003年 / 67卷 / 04期
关键词：
D O I：
10.1103/PhysRevE.67.041204
中图分类号：
O35 [流体力学]; O53 [等离子体物理学];
学科分类号：
070204 ; 080103 ; 080704 ;
摘要：
We present results for several structural and dynamical properties of the liquid Na-Cs alloy. The study has been carried out by means of the orbital-free ab initio molecular dynamics method, combined with local ionic pseudopotentials constructed within the same framework. The results show good agreement with the available experimental data, reproducing the homocoordinating tendency exhibited by this alloy.
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页数：14
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