A computer simulation investigation of the Freedericksz transition for the nematic phase of a Gay-Berne mesogen
Luckhurst, G.R. and Satoh, K. (2003) A computer simulation investigation of the Freedericksz transition for the nematic phase of a Gay-Berne mesogen. Molecular Crystals and Liquid Crystals, 402, 321-338.
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Description/Abstract
We present the first computer simulation study of the Freederichsz transition in a nematic phase using a Gay-Berne model mesogen, in which the constituent molecules can both rotate and translate freely. The behaviour and structure of the nematic obtained from the simulation for the Freederichsz transition are compared with those for real nematogens. The twist elastic constant has been estimated directly from the threshold field and found to be significantly larger than for real systems although comparable to another Gay-Berne nematogen. The molecules in the middle of the cell are observed to have a biaxial order in the vicinity of the Freederichsz transition. Those molecules adjacent to the surface are found to be unpinned in a discontinuous transition at a field significantly larger than the threshold field for the Freederichsz transition.
| Item Type: | Article |
|---|---|
| ISSN: | 1058-725 (print) |
| Uncontrolled Keywords: | nematic, elastic constant, freedericksz transition, gay-berne mesogen, computer simulationliquid-crystals, elastic-constants, anisotropic systems, statistical-theory |
| Related URLs: | http://www.ingentaconnect.com/...1/art00001 |
| Subjects: | Q Science > QA Mathematics > QA75 Electronic computers. Computer science Q Science > QD Chemistry |
| Divisions: | University Structure - Pre August 2011 > School of Chemistry |
| ePrint ID: | 20030 |
| URI: | http://eprints.soton.ac.uk/id/eprint/20030 |
| Deposited On: | 24 Feb 2006 |
| Last Modified: | 01 Jun 2011 04:56 |
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