Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1485910 | Journal of Non-Crystalline Solids | 2006 | 4 Pages |
Abstract
We present an operational method to determine the ‘locally preferred structure’ of model liquids, a notion often put forward to explain supercooling of a liquid and glass formation. The method relies on finding the global minimum in the (free) energy landscape of clusters of atoms or molecules embedded in a liquid-like environment. We propose a more systematic approach of the external potential mimicking the influence of the surrounding bulk liquid on the cluster than in our previous work. The procedure is tested on the one-component Lennard-Jones liquid and we recover, without a priori input, that the locally preferred structure is an icosahedral arrangement of 13 atoms.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
S. Mossa, G. Tarjus,