Allen, M. P. . (2005) Spin dynamics for the Lebwohl-Lasher model. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol.72 (No.3). ISSN 1539-3755

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Abstract

A spin dynamics algorithm, combining checkerboard updating and a rotation algorithm based on the local second-rank ordering field, is developed for the Lebwohl-Lasher model of liquid crystals. The method is shown to conserve energy well and to generate simulation averages that are consistent with those obtained by Monte Carlo simulation. However, care must be taken to avoid the undesirable effects of director rotation, and a method for doing this is proposed.

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Divisions:	Faculty of Science > Physics
Library of Congress Subject Headings (LCSH):	Liquid crystals, Rotational motion
Journal or Publication Title:	Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)
Publisher:	American Physical Society
ISSN:	1539-3755
Date:	14 September 2005
Volume:	Vol.72
Number:	No.3
Identification Number:	10.1103/PhysRevE.72.036703
Status:	Peer Reviewed
Access rights to Published version:	Restricted or Subscription Access
References:	[1] D. P. Landau and K. Binder, A Guide to Monte Carlo Simulations in Statistical Physics (Cambridge University Press, Cambridge, 2000), ISBN 0521653665. [2] P. A. Lebwohl and G. Lasher, Phys. Rev. A 6, 426 (1972). [3] P. A. Lebwohl and G. Lasher, Phys. Rev. A 7, 2222 (1973), erratum. [4] G. R. Luckhurst and P. Simpson, Molec. Phys. 47, 251 (1982). [5] U. Fabbri and C. Zannoni, Molec. Phys. 58, 763 (1986). [6] Z. Zhang, M. J. Zuckermann, and O. G. Mouritsen, Molec. Phys. 80, 1195 (1993). [7] J. D. Ding and Y. L. Yang, Polymer 37, 5301 (1996). [8] Z. Bradaˇc, S. Kralj, and S. ˇZumer, Phys. Rev. E 58, 7447 (1998). [9] C. G. Bac, R. Paredes, C. Vasquez, E. Medina, and A. Hasmy, Phys. Rev. E 63, 042701 (2001). [10] M. Svetec, Z. Bradaˇc, S. Kralj, and S. ˇZumer, Mol. Cryst. Liq. Cryst. 413, 43 (2004). [11] J. Frank, W. Huang, and B. Leimkuhler, J. Comput. Phys. 133, 160 (1997). [12] M. Krech, A. Bunker, and D. P. Landau, Comput. Phys. Commun. 111, 1 (1998). [13] H. Goldstein, Classical Mechanics (Addison Wesley, Reading, Massachusetts, 1980), 2nd ed. [14] A. Dullweber, B. Leimkuhler, and R. McLachlan, J. Chem. Phys. 107, 5840 (1997). [15] H. H. Rugh, Phys. Rev. Lett. 78, 772 (1997). [16] A. A. Chialvo, J. M. Simonson, P. T. Cummings, and P. G. Kusalik, J. Chem. Phys. 114, 6514 (2001).
URI:	http://wrap.warwick.ac.uk/id/eprint/334

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