# Difference between revisions of "Gay-Berne model"

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:<math>\frac{\chi \prime }{\alpha \prime^{2}}=1- {\left(\frac{\epsilon_{ee}}{\epsilon_{ss}}\right)} ^{\frac{1}{\mu}}.</math> | :<math>\frac{\chi \prime }{\alpha \prime^{2}}=1- {\left(\frac{\epsilon_{ee}}{\epsilon_{ss}}\right)} ^{\frac{1}{\mu}}.</math> | ||

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+ | A modification of the Gay-Berne potential has recently been proposed that is said to result in a 10-20% improvement in computational speed, as well as accuracy <ref>[http://dx.doi.org/10.1063/1.4729745 Rasmus A. X. Persson "Note: Modification of the Gay-Berne potential for improved accuracy and speed", Journal of Chemical Physics '''136''' 226101 (2012)]</ref>. | ||

==Phase diagram== | ==Phase diagram== | ||

:''Main article: [[Phase diagram of the Gay-Berne model]]'' | :''Main article: [[Phase diagram of the Gay-Berne model]]'' |

## Revision as of 11:42, 13 June 2012

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

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

and

with

and

A modification of the Gay-Berne potential has recently been proposed that is said to result in a 10-20% improvement in computational speed, as well as accuracy ^{[2]}.

## Phase diagram

*Main article: Phase diagram of the Gay-Berne model*

## References

- ↑ 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) - ↑ Rasmus A. X. Persson "Note: Modification of the Gay-Berne potential for improved accuracy and speed", Journal of Chemical Physics
**136**226101 (2012)

**Related reading**

- R. Berardi, C. Fava and C. Zannoni "A generalized Gay-Berne intermolecular potential for biaxial particles", Chemical Physics Letters
**236**pp. 462-468 (1995) - 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) - Roberto Berardi, Carlo Fava, Claudio Zannoni "A Gay–Berne potential for dissimilar biaxial particles", Chemical Physics Letters
**297**pp. 8-14 (1998)