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Computer simulation study of the nematic–vapour interface in the Gay–Berne model

 

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Opened Access Computer simulation study of the nematic–vapour interface in the Gay–Berne model
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Author: Romero Enrique, José Manuel
Rull Fernández, Luis Felipe
Department: Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear
Date: 2017-01-13
Published in: Molecular Physics, 115 (9-12), 1214-1224.
Document type: Article
Abstract: We present computer simulations of the vapour–nematic interface of the Gay–Berne model. We considered situations which correspond to either prolate or oblate molecules. We determine the anchoring of the nematic phase and correlate it with the intermolecular potential parameters. On the other hand, we evaluate the surface tension associated to this interface. We find a corresponding states law for the surface tension dependence on the temperature, valid for both prolate and oblate molecules.
Cite: Romero Enrique, J.M. y Rull Fernández, L.F. (2017). Computer simulation study of the nematic–vapour interface in the Gay–Berne model. Molecular Physics, 115 (9-12), 1214-1224.
Size: 648.4Kb
Format: PDF

URI: http://hdl.handle.net/11441/64639

DOI: 10.1080/00268976.2016.1274437

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