A molecular dynamics study of freezing in a confined geometry

The dynamics of freezing of a Lennard-Jones liquid in narrow channels bounded by molecular walls is studied by computer simulation. The time development of ordering is quantified and a novel freezing mechanism is observed. The liquid forms layers and subsequent in-plane ordering within a layer is ac...

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Published in:The Journal of chemical physics 1992-07, Vol.97 (1, Ju), p.485-493
Main Authors: Ma, Wen-Jong, Banavar, Jayanth R., Koplik, Joel
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Equations of state, phase equilibria, and phase transitions
Exact sciences and technology
General studies of phase transitions
Physics
Thermodynamics And Statistical Physics
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description The dynamics of freezing of a Lennard-Jones liquid in narrow channels bounded by molecular walls is studied by computer simulation. The time development of ordering is quantified and a novel freezing mechanism is observed. The liquid forms layers and subsequent in-plane ordering within a layer is accompanied by a sharpening of the layer in the transverse direction. The effects of channel size, the methods of quench, the liquid-wall interaction and the roughness of walls on the freezing mechanism are elucidated. Comparison with recent experiments on freezing in confined geometries is presented.
doi_str_mv 10.1063/1.463594
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source AIP_美国物理联合会现刊（与NSTL共建）
subjects Condensed matter: structure, mechanical and thermal properties
Equations of state, phase equilibria, and phase transitions
Exact sciences and technology
General studies of phase transitions
Physics
Thermodynamics And Statistical Physics
title A molecular dynamics study of freezing in a confined geometry
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