作者: Giles W. Turner , Lawrence S. Bartell
DOI: 10.1021/JP058098X
关键词: Supercooling 、 Thermodynamics 、 Molecular dynamics 、 Nucleation 、 Drop (liquid) 、 Model system 、 Chemistry
摘要: Recent publications have proposed that nucleation in the freezing of supercooled drops occurs at drop surface, an idea supported by statistical thermodynamic arguments Cahn [J. Chem. Phys. 1977, 66, 3667] coupled with Tabazadeh et al. [Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 15873]. Whether this phenomenon is general examined molecular dynamics simulations deeply liquid clusters SeF6. It found for model system while not infrequently it more often takes place interior. The probability surface increases depth supercooling. How relates to theories and discussed briefly.