Computer simulation of liquid-crystal surface modificationM. 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