Gay-Berne model: Difference between revisions

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The '''Gay-Berne model''' (Ref. 1) is used extensively in simulations of [[liquid crystals | liquid crystalline]] systems. The Gay-Berne model
The '''Gay-Berne model''' <ref>[http://dx.doi.org/10.1063/1.441483  J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics '''74''' pp. 3316-3319  (1981)]</ref> is used extensively in simulations of [[liquid crystals | liquid crystalline]] systems. The Gay-Berne model
is an anistropic form of the [[Lennard-Jones model | Lennard-Jones 12:6 potential]].
is an anistropic form of the [[Lennard-Jones model | Lennard-Jones 12:6 potential]].
:<math>U_{ij}^{\mathrm LJ/GB} =
:<math>U_{ij}^{\mathrm LJ/GB} =
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:''Main article: [[Phase diagram of the Gay-Berne model]]''
:''Main article: [[Phase diagram of the Gay-Berne model]]''
==References==
==References==
#[http://dx.doi.org/10.1063/1.441483  J. G. Gay and B. J. Berne "Modification of the overlap potential to mimic a linear site–site potential", Journal of Chemical Physics '''74''' pp. 3316-3319  (1981)]
<references/>
#[http://dx.doi.org/10.1016/0009-2614(95)00212-M R. Berardi, C. Fava and C. Zannoni "A generalized Gay-Berne intermolecular potential for biaxial particles", Chemical Physics Letters '''236''' pp. 462-468 (1995)]
'''Related reading'''
#[http://dx.doi.org/10.1103/PhysRevE.54.559  Douglas J. Cleaver, Christopher M. Care, Michael P. Allen, and Maureen P. Neal "Extension and generalization of the Gay-Berne potential" Physical Review E '''54''' pp. 559-567 (1996)]
*[http://dx.doi.org/10.1016/0009-2614(95)00212-M R. Berardi, C. Fava and C. Zannoni "A generalized Gay-Berne intermolecular potential for biaxial particles", Chemical Physics Letters '''236''' pp. 462-468 (1995)]
#[http://dx.doi.org/10.1016/S0009-2614(98)01090-2 Roberto Berardi, Carlo Fava, Claudio Zannoni "A Gay–Berne potential for dissimilar biaxial particles",  Chemical Physics Letters '''297''' pp. 8-14 (1998)]
*[http://dx.doi.org/10.1103/PhysRevE.54.559  Douglas J. Cleaver, Christopher M. Care, Michael P. Allen, and Maureen P. Neal "Extension and generalization of the Gay-Berne potential" Physical Review E '''54''' pp. 559-567 (1996)]
*[http://dx.doi.org/10.1016/S0009-2614(98)01090-2 Roberto Berardi, Carlo Fava, Claudio Zannoni "A Gay–Berne potential for dissimilar biaxial particles",  Chemical Physics Letters '''297''' pp. 8-14 (1998)]
[[category:liquid crystals]]
[[category:liquid crystals]]
[[category:models]]
[[category:models]]

Revision as of 12:31, 11 November 2009

The Gay-Berne model [1] is used extensively in simulations of liquid crystalline systems. The Gay-Berne model is an anistropic form of the Lennard-Jones 12:6 potential.

where, in the limit of one of the particles being spherical, gives:

and

with

and

Phase diagram

Main article: Phase diagram of the Gay-Berne model

References

Related reading