Gay-Berne model: Difference between revisions

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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
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 anisotropic 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}

Revision as of 17:03, 22 November 2011

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

Phase diagram

Main article: Phase diagram of the Gay-Berne model

References

Related reading