Article

Collective ionic dynamics in the liquid Na-Cs alloy: an ab initio molecular dynamics study.

Departamento de Física Teórica, Facultad de Ciencias, Universidad de Valladolid, Spain.
Physical Review E (impact factor: 2.26). 05/2003; 67(4 Pt 1):041204. pp.041204
Source: PubMed

ABSTRACT 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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Keywords

available experimental data
 
good agreement
 
liquid Na-Cs alloy
 
local ionic pseudopotentials
 
orbital-free ab initio molecular dynamics method
 

J Blanco