# Editing Gay-Berne model

**Warning:** You are not logged in. Your IP address will be publicly visible if you make any edits. If you **log in** or **create an account**, your edits will be attributed to your username, along with other benefits.

The edit can be undone.
Please check the comparison below to verify that this is what you want to do, and then save the changes below to finish undoing the edit.

Latest revision | Your text | ||

Line 1: | Line 1: | ||

− | 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} | ||

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: | ||

Line 48: | Line 47: | ||

:<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/10.1103/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)] | |

− | |||

− | |||

− | |||

− | |||

− | |||

− | |||

[[category:liquid crystals]] | [[category:liquid crystals]] | ||

[[category:models]] | [[category:models]] |