Collective ionic dynamics in the liquid Na-Cs alloy: An <i>ab initio</i> molecular dynamics study

J. Blanco; D. J. González; L. E. González; J. M. López; M. J. Stott

doi:10.1103/PhysRevE.67.041204

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

J. Blanco, D. J. González, L. E. González, J. M. López, and M. J. Stott

Phys. Rev. E 67, 041204 – Published 21 April 2003

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.

Received 17 September 2002

DOI:https://doi.org/10.1103/PhysRevE.67.041204

Authors & Affiliations

J. Blanco¹, D. J. González^1,2, L. E. González¹, J. M. López¹, and M. J. Stott²

¹Departamento de Física Teórica, Facultad de Ciencias, Universidad de Valladolid, 47011 Valladolid, Spain
²Department of Physics, Queen’s University, Kingston, Ontario, Canada K7L 3N6

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Vol. 67, Iss. 4 — April 2003

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