Theory and simulation of biaxial nematic and orthogonal smectic phases formed by mixtures of board-like molecules
Theory and simulation of biaxial nematic and orthogonal smectic phases formed by mixtures of board-like molecules
Variational cluster calculations and Monte Carlo simulations are applied to hard-body board-like models of biaxial molecules forming liquid crystalline phases. The molecular long axes are assumed for simplicity to be fully oriented. Depending on the extent of transverse anisometry in the molecular shape, these systems can exhibit biaxial nematic phases as well as uniaxial and biaxial orthogonal smectic phases. It is shown that the region of thermodynamic stability for the biaxial nematic phase is considerably broadened in binary mixtures of molecules with the same cross section but differing in their long dimension.
liquid-crystal mixtures, bent-core molecules, computer-simulation, binary-mixtures, orientational order, monte-carlo, anisotropic systems, particles, transition, behavior
3700-3706
Vanakaras, A.G.
3115d402-1be0-4793-a7f5-c474ee547348
Bates, M.A.
6001a185-ebdb-4ed1-959c-6bba80c61ed2
Photinos, D.J.
cb089a8c-e167-4433-a89b-b87a20b8c75f
2003
Vanakaras, A.G.
3115d402-1be0-4793-a7f5-c474ee547348
Bates, M.A.
6001a185-ebdb-4ed1-959c-6bba80c61ed2
Photinos, D.J.
cb089a8c-e167-4433-a89b-b87a20b8c75f
Vanakaras, A.G., Bates, M.A. and Photinos, D.J.
(2003)
Theory and simulation of biaxial nematic and orthogonal smectic phases formed by mixtures of board-like molecules.
Physical Chemistry Chemical Physics, 5 (17), .
(doi:10.1039/b306271f).
Abstract
Variational cluster calculations and Monte Carlo simulations are applied to hard-body board-like models of biaxial molecules forming liquid crystalline phases. The molecular long axes are assumed for simplicity to be fully oriented. Depending on the extent of transverse anisometry in the molecular shape, these systems can exhibit biaxial nematic phases as well as uniaxial and biaxial orthogonal smectic phases. It is shown that the region of thermodynamic stability for the biaxial nematic phase is considerably broadened in binary mixtures of molecules with the same cross section but differing in their long dimension.
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Published date: 2003
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Keywords:
liquid-crystal mixtures, bent-core molecules, computer-simulation, binary-mixtures, orientational order, monte-carlo, anisotropic systems, particles, transition, behavior
Identifiers
Local EPrints ID: 20096
URI: http://eprints.soton.ac.uk/id/eprint/20096
ISSN: 1463-9076
PURE UUID: 7b9d3f77-0eaa-423e-b447-bc5b161f06d5
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Date deposited: 23 Feb 2006
Last modified: 15 Mar 2024 06:22
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Author:
A.G. Vanakaras
Author:
M.A. Bates
Author:
D.J. Photinos
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