NaCl nanodroplet on NaCl(100) at the melting point

详细信息	查看全文 | 推荐本文 |

• 作者：Zykova-Timan ; T. ; Tartaglino ; U. ; Ceresoli ; D. ; Sekkal-Zaoui ; W. ; Tosatti ; E.
• 关键词：Equilibrium thermodynamics and statistical mechanics ; Molecular dynamics ; Surface energy ; Surface stress ; Surface melting ; Wetting ; Alkali halides
• 刊名：Surface Science
• 出版年：2004
• 期刊代码：104_00396028
• 类别：ch
• 出版时间：September 20, 2004
• 卷：566-568
• 期：Part 2
• 页码：794-798
• 文件大小：605 K

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 (γ_LV) and the solid–vapor interface free energy (γ_SV) [Zykova-Timan et al. to be published], an estimate of the solid–liquid interface free energy (γ_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.