Gay-Berne model: Difference between revisions

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The '''Gay-Berne''' model is used extensively in simulations of [[liquid crystals | liquid crystalline]] systems. The Gay-Berne model
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}
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\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 10:11, 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

  1. 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)
  2. 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)