Gay-Berne model: Difference between revisions

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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==
:''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/10.1063/1.441483  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/10.1103/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]]

Revision as of 15:14, 19 February 2008

The Gay-Berne model 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)