WALL, G. D. and CLEAVER, D. J. (2003). Computer simulations of adsorbed liquid crystal films. Molecular Physics, 101 (8), 1105-1112.
Full text not available from this repository.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 |
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Research Institute, Centre or Group - Does NOT include content added after October 2018: | Materials and Engineering Research Institute > Modelling Research Centre > Materials Modelling group |
Identification Number: | https://doi.org/10.1080/0026897031000068514 |
Page Range: | 1105-1112 |
Depositing User: | Hilary Ridgway |
Date Deposited: | 09 Apr 2010 14:05 |
Last Modified: | 18 Mar 2021 09:30 |
URI: | https://shura.shu.ac.uk/id/eprint/1533 |
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