Journal
SURFACE SCIENCE
Volume 600, Issue 18, Pages 4395-4398Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.susc.2006.02.083
Keywords
alkali halides; wetting; surface melting; nanofriction
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Alkali halide (100) surfaces are anomalously poorly wetted by their own melt at the triple point. We carried out simulations for NaCl(100) within a simple (BMHFT) model potential. Calculations of the solid-vapor, solid-liquid and liquid-vapor free energies showed that solid NaCl(100) is a nonmelting surface, and that the incomplete wetting can be traced to the conspiracy of three factors: surface anharmonicities stabilizing the solid surface; a large density jump causing bad liquid-solid adhesion; incipient NaCl molecular correlations destabilizing the liquid surface, reducing in particular its entropy much below that of solid NaCl(I 0 0). Presently, we are making use of the nonmelting properties of this surface to conduct case study simulations of hard tips sliding on a hot stable crystal surface. Preliminary results reveal novel phenomena whose applicability is likely of greater generality. (c) 2006 Elsevier B.V. All rights reserved.
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