Europhys. Lett.
Volume 65, Number 1, January 2004
Page(s) 48 - 54
Section Condensed matter: structure, mechanical and thermal properties
Published online 01 December 2003
Europhys. Lett., 65 (1) , pp. 48-54 (2004)
DOI: 10.1209/epl/i2003-10046-x

Computer simulation of liquid-crystal surface modification

M. T. Downton1 and M. P. Allen2

1  Centre for Molecular Simulation, Swinburne University of Technology P.O. Box 218, Hawthorn, Victoria 3122, Australia
2  Centre for Scientific Computing, University of Warwick Coventry CV4 7AL, UK

(Received 11 August 2003; accepted 17 October 2003)

Metropolis Monte Carlo simulations are used to study the interplay between two different anchoring effects of spherocylinders on a modified surface consisting of hard walls onto which liquid-crystal molecules have been perpendicularly grafted. By varying both the length and grafting density of the surface molecules, a number of different and novel anchoring regimes are observed including: planar, homeotropic, tilted and decoupled planar.

61.30.Hn - Surface phenomena: alignment, anchoring, anchoring transitions, surface-induced layering, surface-induced ordering, wetting, prewetting transitions, and wetting transitions.
61.20.Ja - Computer simulation of liquid structure.
02.70.Uu - Applications of Monte Carlo methods.

© EDP Sciences 2004