Computer simulation of the field-induced alignment of the smectic A phase of the Gay-Berne mesogen GB(4.4,20.0,1,1)
Computer simulation of the field-induced alignment of the smectic A phase of the Gay-Berne mesogen GB(4.4,20.0,1,1)
As an aid to understanding the mechanism for the field-induced alignment of the smectic A phase we have attempted to simulate this process for the Gay-Berne model mesogen GB(4.4,20.0,1,1). The results for the quasi-dynamical behaviour of the alignment process obtained from a constant pressure-constant temperature Monte Carlo simulation are discussed. It. is found that the molecules realign parallel to the field without destroying the layer structure and, more or less, as a monodomain in the simulations. This is qualitatively in agreement with the results obtained from recent deuterium NMR and small angle X-ray experiments. In addition, the relationship between the box shape and structures formed during the alignment process is discussed. The choice of box is found to be important for the simulation of the field-induced alignment process.
field-induced alignment, smectic a, computer simulation, gay-berne
mesogen, quasi-dynamicsanisotropic systems, lattice-dynamics, liquid-crystal, model, mesophases
153-169
Luckhurst, G.R.
7807d1c6-54a1-414f-9abe-22de4d9c30f7
Satoh, K.
413dd1fa-14f1-466d-828c-d903a354c339
2003
Luckhurst, G.R.
7807d1c6-54a1-414f-9abe-22de4d9c30f7
Satoh, K.
413dd1fa-14f1-466d-828c-d903a354c339
Luckhurst, G.R. and Satoh, K.
(2003)
Computer simulation of the field-induced alignment of the smectic A phase of the Gay-Berne mesogen GB(4.4,20.0,1,1).
Molecular Crystals and Liquid Crystals, 394, .
Abstract
As an aid to understanding the mechanism for the field-induced alignment of the smectic A phase we have attempted to simulate this process for the Gay-Berne model mesogen GB(4.4,20.0,1,1). The results for the quasi-dynamical behaviour of the alignment process obtained from a constant pressure-constant temperature Monte Carlo simulation are discussed. It. is found that the molecules realign parallel to the field without destroying the layer structure and, more or less, as a monodomain in the simulations. This is qualitatively in agreement with the results obtained from recent deuterium NMR and small angle X-ray experiments. In addition, the relationship between the box shape and structures formed during the alignment process is discussed. The choice of box is found to be important for the simulation of the field-induced alignment process.
This record has no associated files available for download.
More information
Published date: 2003
Keywords:
field-induced alignment, smectic a, computer simulation, gay-berne
mesogen, quasi-dynamicsanisotropic systems, lattice-dynamics, liquid-crystal, model, mesophases
Identifiers
Local EPrints ID: 20031
URI: http://eprints.soton.ac.uk/id/eprint/20031
ISSN: 1542-1406
PURE UUID: 1ced7c93-2ece-4164-b677-bb5851807a56
Catalogue record
Date deposited: 24 Feb 2006
Last modified: 08 Jan 2022 03:47
Export record
Contributors
Author:
G.R. Luckhurst
Author:
K. Satoh
Download statistics
Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.
View more statistics