Literature DB >> 15904317

Why are alkali halide surfaces not wetted by their own melt?

T Zykova-Timan1, D Ceresoli, U Tartaglino, E Tosatti.   

Abstract

Alkali halide (100) crystal surfaces are anomalous, being very poorly wetted by their own melt at the triple point. We present extensive simulations for NaCl, followed by calculations of the solid-vapor, solid-liquid, and liquid-vapor free energies showing that solid NaCl(100) is a nonmelting surface, and that its full behavior can quantitatively be accounted for within a simple Born-Meyer-Huggins-Fumi-Tosi model potential. The incomplete wetting is 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. The latter is pursued in detail, and it is shown that surface short-range charge order acts to raise the surface tension because incipient NaCl molecular formation anomalously reduces the surface entropy of liquid NaCl much below that of solid NaCl(100).

Entities:  

Year:  2005        PMID: 15904317     DOI: 10.1103/PhysRevLett.94.176105

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  1 in total

1.  Thermodynamic origin of surface melting on ice crystals.

Authors:  Ken-Ichiro Murata; Harutoshi Asakawa; Ken Nagashima; Yoshinori Furukawa; Gen Sazaki
Journal:  Proc Natl Acad Sci U S A       Date:  2016-10-17       Impact factor: 11.205

  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.