Editing Gay-Berne model
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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 | 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} | ||
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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> | ||
==Phase diagram== | ==Phase diagram== | ||
:''Main article: [[Phase diagram of the Gay-Berne model]]'' | :''Main article: [[Phase diagram of the Gay-Berne model]]'' | ||
==References== | ==References== | ||
#[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)] | |||
''' | #[http://dx.doi.org/10.1016/0009-2614(95)00212-M R. Berardi, C. Fava and C. Zannoni "A generalized Gay-Berne intermolecular potential for biaxial particles", Chemical Physics Letters '''236''' pp. 462-468 (1995)] | ||
#[http://dx.doi.org/10.1103/PhysRevE.54.559 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)] | |||
#[http://dx.doi.org/10.1016/S0009-2614(98)01090-2 Roberto Berardi, Carlo Fava, Claudio Zannoni "A Gay–Berne potential for dissimilar biaxial particles", Chemical Physics Letters '''297''' pp. 8-14 (1998)] | |||
[[category:liquid crystals]] | [[category:liquid crystals]] | ||
[[category:models]] | [[category:models]] |