Computer simulation of bi-disperse liquid crystals: The effect of concentration on phase behaviour and structural properties

BEMROSE, R. A., CARE, C. M., CLEAVER, D. J. and NEAL, M. P. (1997). Computer simulation of bi-disperse liquid crystals: The effect of concentration on phase behaviour and structural properties. Molecular Crystals and Liquid Crystals Science and Technology Section A - Molecular Crystals and Liquid Crystals, 299, 27-32.

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Link to published version:: 10.1080/10587259708041969

Abstract

We present results from constant-NPT molecular dynamics simulations of bi-disperse liquid crystal mixtures at a range of concentrations. These simulations are performed using the generalised Gay-Berne interaction potential. We observe that the transition temperature between ordered and disordered phases varies linearly with mole fraction. Also, the layer spacing in the smectic-B phase varies approximately linearly with mole fraction. We find that the region of nematic phase stability is very narrow in the NPT ensemble, but establish it for a single-component system. The difficulty in determining this region is related to the sensitivity of the nematic phase to density fluctuations.

Item Type: Article
Additional Information: 16th International Liquid Crystal Conference JUN 24-28, 1996 KENT, OH
Research Institute, Centre or Group: Materials and Engineering Research Institute > Polymers Nanocomposites and Modelling Research Centre > Materials and Fluid Flow Modelling Group
Identification Number: 10.1080/10587259708041969
Depositing User: Hilary Ridgway
Date Deposited: 12 Apr 2010 10:17
Last Modified: 29 Sep 2010 10:29
URI: http://shura.shu.ac.uk/id/eprint/1511

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