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Self-consistent Monte Carlo simulations of the electron and ion distributions of inhomogeneous liquid alkali metals. II. Longitudinal and transverse density distributions in the liquid-vapor interface of binary metallic alloys
Authors:Jonathan G. Harris  Jan Gryko  Stuart A. Rice
Affiliation:(1) Department of Chemistry and James Franck Institute, University of Chicago, 60637 Chicago, Illinois;(2) Present address: Institute of Physical Chemistry, 01-223 Warsaw, Poland
Abstract:We present the results of Monte Carlo simulations of the liquid-vapor interface of sodium-cesium alloys. The longitudinal density profile of each alloy shows that the liquid-vapor interface consists of a well-defined monolayer of cesium sitting on top of a slab of the bulk alloy. Underneath the monolayer there is a slight excess of sodium. A comparison with a van der Waals analog of one of the alloys shows that the presence of the well-defined monolayer of cesium on the outside of the liquid-vapor interface is a feature peculiar to metallic mixtures. The transverse pair correlation functions of the cesium monolayer are insensitive to the composition of the bulk of the slab.
Keywords:Liquid metals  liquid-vapor interface  surface segregation  quantum statistical mechanics  Monte Carlo simulations  inhomogeneous liquids  alloys
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