Title of article :
NaCl nanodroplet on NaCl(1 0 0) at the melting point
Author/Authors :
T. ZYKOVA-TIMAN، نويسنده , , T. and Tartaglino، نويسنده , , U. and Ceresoli، نويسنده , , D. and Sekkal-Zaoui، نويسنده , , W. and Tosatti، نويسنده , , E.، نويسنده ,
Issue Information :
هفته نامه با شماره پیاپی سال 2004
Abstract :
The self-wetting properties of ionic crystal surfaces are studied, using NaCl(1 0 0) 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 (γLV) and the solid–vapor interface free energy (γSV) [Zykova-Timan et al. to be published], an estimate of the solid–liquid interface free energy (γSL) 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.
Keywords :
Equilibrium thermodynamics and statistical mechanics , Molecular dynamics , surface energy , Surface stress , Wetting , Alkali Halides , Surface melting
Journal title :
Surface Science
Journal title :
Surface Science