SHAPE OF HEXATIC DOMAINS OF A 2-DIMENSIONAL LENNARD-JONES SYSTEM

Citation
B. Garzon et Me. Costas, SHAPE OF HEXATIC DOMAINS OF A 2-DIMENSIONAL LENNARD-JONES SYSTEM, Journal of physical chemistry, 97(51), 1993, pp. 13860-13863
Citations number
27
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
97
Issue
51
Year of publication
1993
Pages
13860 - 13863
Database
ISI
SICI code
0022-3654(1993)97:51<13860:SOHDOA>2.0.ZU;2-I
Abstract
We determine the shape of an hexatic inclusion surrounded by an isotro pic medium using the Wulff construction to obtain the minimal surface energy. The thermodynamic states (hexagonal solid and hexatic and liqu id phases) are obtained via Monte Carlo simulations in the NVT ensembl e, and the surface energy as a function of orientation is derived from the general Gibbs formulation. We find that the shape of the hexatic domain changes with temperature from an irregular hexagon to a shape w here more facets are developed, becoming closer to a circular one.