The nematic-vapour interface of the Gay-Berne liquid crystal model has been studied by Monte Carlo simulation. When the anisotropy parameter kappa' is set to 1.25, a film of particles in a rectangular box has been shown to exhibit nematic-vapour coexistence. Analysis of the orientational ordering across the sample reveals that the anchoring is planar, that is, the preferred alignment is in a direction parallel to the interface. No nematic wetting of the film in the isotropic phase is observed, although there is a strong tendency for the molecules near the surface to be parallel to the interface even at temperatures higher than the isotropic-nematic-vapour triple point. (C) 1997 Published by Elsevier Science B.V.
|Autori:||Emerson APJ; Faetti S; Zannoni C|
|Titolo:||Monte Carlo simulation of the nematic-vapour interface for a Gay-Berne liquid crystal RID E-3129-2010|
|Anno del prodotto:||1997|
|Digital Object Identifier (DOI):||10.1016/S0009-2614(97)00488-0|
|Appare nelle tipologie:||1.1 Articolo in rivista|