Gay-Berne model

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The Gay-Berne model (Ref. 1) 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. R. Berardi, C. Fava and C. Zannoni "A generalized Gay-Berne intermolecular potential for biaxial particles", Chemical Physics Letters 236 pp. 462-468 (1995)
  3. 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)
  4. Roberto Berardi, Carlo Fava, Claudio Zannoni "A Gay–Berne potential for dissimilar biaxial particles", Chemical Physics Letters 297 pp. 8-14 (1998)