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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    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 - Does NOT include content added after October 2018: Materials and Engineering Research Institute > Polymers Nanocomposites and Modelling Research Centre > Materials and Fluid Flow Modelling Group
    Identification Number:
    Page Range: 1105-1112
    Depositing User: Hilary Ridgway
    Date Deposited: 09 Apr 2010 14:05
    Last Modified: 18 Mar 2021 09:30

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