# Difference between revisions of "Gay-Berne model"

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− | The '''Gay-Berne''' | + | The '''Gay-Berne model''' (Ref. 1) 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} = |

4 \epsilon_0^{\mathrm LJ/GB} | 4 \epsilon_0^{\mathrm LJ/GB} | ||

[\epsilon^{\mathrm LJ/GB}]^{\mu} | [\epsilon^{\mathrm LJ/GB}]^{\mu} | ||

Line 30: | Line 30: | ||

\right], | \right], | ||

</math> | </math> | ||

+ | |||

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

## Revision as of 11:11, 26 September 2008

The **Gay-Berne model** (Ref. 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

- 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) - 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)