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...

Full description

Saved in:
Bibliographic Details
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
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.463594