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.Full text not available from this repository.
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.
|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|
|Depositing User:||Hilary Ridgway|
|Date Deposited:||12 Apr 2010 09:17|
|Last Modified:||29 Sep 2010 09:29|
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