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.
Monte Carlo simulation of the nematic-vapour interface for a Gay-Berne liquid crystal RID E-3129-2010
FAETTI, SANDRO;
1997-01-01
Abstract
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
