Computer simulations of adsorbed liquid crystal films

WALL, G. D. and CLEAVER, D. J. (2003). Computer simulations of adsorbed liquid crystal films. Molecular Physics, 101 (8), 1105-1112.

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Link to published version:: 10.1080/0026897031000068514

Abstract

The structures adopted by adsorbed thin films of Gay-Berne particles in the presence of a coexisting vapour phase are investigated by molecular dynamics simulation. The films are adsorbed at a flat substrate which favours planar anchoring, whereas the nematic-vapour interface favours normal alignment. On cooling, a system with a high molecule-substrate interaction strength exhibits substrate-induced planar orientational ordering and considerable stratification is observed in the density profiles. In contrast, a system with weak molecule substrate coupling adopts a director orientation orthogonal to the substrate plane, owing to the increased influence of the nematic-vapour interface. There are significant differences between the structures adopted at the two interfaces, in contrast with the predictions of density functional treatments of such systems.

Item Type: Article
Research Institute, Centre or Group: Materials and Engineering Research Institute > Polymers Nanocomposites and Modelling Research Centre > Materials and Fluid Flow Modelling Group
Identification Number: 10.1080/0026897031000068514
Depositing User: Hilary Ridgway
Date Deposited: 09 Apr 2010 15:05
Last Modified: 29 Sep 2010 10:37
URI: http://shura.shu.ac.uk/id/eprint/1533

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