A molecular dynamics study of freezing in a confined geometry

Publisher Website
Google Scholar
Abstract
The dynamics of freezing of a Lennard‐Jones liquid in narrow channels bounded by molecular walls is studied by computer simulation. We quantify the time development of ordering and observe a novel freezing mechanism. 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.