Representation of pair correlations in nematics
Representation of pair correlations in nematics
A complete expansion of equilibrium pair correlation functions for a uniaxial nematic phase composed of axially symmetric, non-polar and chiral molecules is proposed. Full advantage is taken of the symmetry of the nematic state and of the molecules. The explicit analysis and classification of the terms involving spherical harmonics with indices not exceeding 4 is given and illustrated using computer simulations for the nematic phase of a Gay-Berne mesogen. The theory is contrasted with the commonly used approach employing invariants that describe orientational correlations in molecular fluids. The role of the new representation in obtaining a correct understanding of a variety of observables, like the elastic constants, is demonstrated. In particular, the long-standing puzzle concerning the splay-bend degeneracy is resolved.
liquid-crystals, elastic-constants, computer-simulation, anisotropic
systems
51-57
Longa, L.
b1bdaa69-95cc-47fa-86dd-4f65aa1a6b7a
Cholewiak, G.
6675ce0e-79dc-44b6-aa64-2f660a583297
Trebin, R.
62e8968d-3f91-4c23-aca5-2633a845a45d
Luckhurst, G.R.
7807d1c6-54a1-414f-9abe-22de4d9c30f7
1 January 2001
Longa, L.
b1bdaa69-95cc-47fa-86dd-4f65aa1a6b7a
Cholewiak, G.
6675ce0e-79dc-44b6-aa64-2f660a583297
Trebin, R.
62e8968d-3f91-4c23-aca5-2633a845a45d
Luckhurst, G.R.
7807d1c6-54a1-414f-9abe-22de4d9c30f7
Longa, L., Cholewiak, G., Trebin, R. and Luckhurst, G.R.
(2001)
Representation of pair correlations in nematics.
European Physical Journal:Soft Matter E, 4 (1), .
Abstract
A complete expansion of equilibrium pair correlation functions for a uniaxial nematic phase composed of axially symmetric, non-polar and chiral molecules is proposed. Full advantage is taken of the symmetry of the nematic state and of the molecules. The explicit analysis and classification of the terms involving spherical harmonics with indices not exceeding 4 is given and illustrated using computer simulations for the nematic phase of a Gay-Berne mesogen. The theory is contrasted with the commonly used approach employing invariants that describe orientational correlations in molecular fluids. The role of the new representation in obtaining a correct understanding of a variety of observables, like the elastic constants, is demonstrated. In particular, the long-standing puzzle concerning the splay-bend degeneracy is resolved.
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Published date: 1 January 2001
Keywords:
liquid-crystals, elastic-constants, computer-simulation, anisotropic
systems
Identifiers
Local EPrints ID: 19559
URI: http://eprints.soton.ac.uk/id/eprint/19559
PURE UUID: a5401e64-5de8-467a-a949-79fe67629590
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Date deposited: 15 Feb 2006
Last modified: 11 Nov 2024 17:54
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Contributors
Author:
L. Longa
Author:
G. Cholewiak
Author:
R. Trebin
Author:
G.R. Luckhurst
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