Editing Gay-Berne model
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The '''Gay-Berne | The '''Gay-Berne''' model 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} = | |||
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: | ||
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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> | ||
==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/10.1103/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/10.1080/00268970210121605 Enrique De Miguel "Reexamining the phase diagram of the Gay-Berne fluid", Molecular Physics '''100''' pp. 2449-2459 (2002)] | |||
#[http://dx.doi.org/10.1103/PhysRevE.57.6685 Julian T. Brown, Michael P. Allen, Elvira Martín del Río and Enrique de Miguel "Effects of elongation on the phase behavior of the Gay-Berne fluid", Physical Review E '''57''' pp. 6685 - 6699 (1998)] | |||
[[category:liquid crystals]] | [[category:liquid crystals]] | ||
[[category:models]] | [[category:models]] |