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Computer simulation studies of anisotropic systems. XXXII. Field-induction of a smectic A phase in a Gay-Berne mesogen

Computer simulation studies of anisotropic systems. XXXII. Field-induction of a smectic A phase in a Gay-Berne mesogen
Computer simulation studies of anisotropic systems. XXXII. Field-induction of a smectic A phase in a Gay-Berne mesogen
Molecular field theory predicts the induction of a smectic A phase by the application of a field, either magnetic or electric, to a nematic phase. This intriguing behavior results from an enhancement of the orientational order which is coupled to the translational order and so shifts the smectic A-nematic transition. To test this prediction we have investigated a system of Gay-Berne mesogenic molecules subject to an applied field of second rank using isothermal-isobaric Monte Carlo simulations. The results of our calculations are compared with the Kventsel-Luckhurst-Zewdie molecular field theory of smectogens, modified to include the effect of an external field. We have also used the simulations to explore the possibility of inducing more ordered smectic phases with stronger fields.
liquid-crystals, a-phase, transition, model
0021-9606
4342-4350
Luckhurst, G. R.
923cc3f5-cc34-4c4c-8508-1fe3b83aac16
Saielli, G.
d4ee9f77-2932-4f9b-95f7-94c14923ab92
Luckhurst, G. R.
923cc3f5-cc34-4c4c-8508-1fe3b83aac16
Saielli, G.
d4ee9f77-2932-4f9b-95f7-94c14923ab92

Luckhurst, G. R. and Saielli, G. (2000) Computer simulation studies of anisotropic systems. XXXII. Field-induction of a smectic A phase in a Gay-Berne mesogen. The Journal of Chemical Physics, 112 (9), 4342-4350. (doi:10.1063/1.480981).

Record type: Article

Abstract

Molecular field theory predicts the induction of a smectic A phase by the application of a field, either magnetic or electric, to a nematic phase. This intriguing behavior results from an enhancement of the orientational order which is coupled to the translational order and so shifts the smectic A-nematic transition. To test this prediction we have investigated a system of Gay-Berne mesogenic molecules subject to an applied field of second rank using isothermal-isobaric Monte Carlo simulations. The results of our calculations are compared with the Kventsel-Luckhurst-Zewdie molecular field theory of smectogens, modified to include the effect of an external field. We have also used the simulations to explore the possibility of inducing more ordered smectic phases with stronger fields.

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Published date: 1 March 2000
Keywords: liquid-crystals, a-phase, transition, model

Identifiers

Local EPrints ID: 19053
URI: http://eprints.soton.ac.uk/id/eprint/19053
ISSN: 0021-9606
PURE UUID: 57878343-b332-43ba-9aaa-c4fd3ce75364

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Date deposited: 21 Dec 2005
Last modified: 15 Mar 2024 06:10

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Contributors

Author: G. R. Luckhurst
Author: G. Saielli

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