NaCl nanodroplet on NaCl(100) at the melting point

[摘要] The self-wetting properties of ionic crystal surfaces are studied, using NaCl(100) as a prototype case. The anomalously large contact angle measured long ago by Mutaftschiev [Surf. Sci. 47 (1975) 723; J. Cryst. Growth 182 (1997) 205] is well reproduced by realistic molecular dynamics simulations. Based on these results, and on independent determinations of the liquid-vapor (gamma(LV)) and the solid-vapor interface free energy (gamma(SV)) [Zykova-Timan et al. to be published], an estimate of the solid-liquid interface free energy (gamma(SL)) is extracted. The solid vapor surface free energy turns out to be small and similar to the liquid-vapor one, providing a direct thermodynamic explanation of the reduced wetting ability of the ionic melt. (C) 2004 Elsevier B.V. All rights reserved.

[发布日期] 2004-09-20

[效力级别]  Proceedings Paper

[关键词] equilibrium thermodynamics and statistical mechanics;molecular dynamics;surface energy;surface stress;surface melting;wetting;alkali halides