期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 20, 期 11, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/20/11/114118
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We report the results of ab initio molecular dynamics simulations for the liquid-vapor interface of the liquid metals Ga, In and the eutectic binary alloy Ga-In (16.5% In) for which experimental data are available. The study was performed by using samples of 3000 particles in a slab geometry with periodic boundary conditions. In those systems, the total ionic density distributions along the normal to the interface display some layering and in the case of the Ga-In alloy there appears a highly enriched layer of the lower surface tension component located outermost at the interface. The results are compared with the available experimental data.
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