Gay-Berne model: Difference between revisions

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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>
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

Related reading