Computer simulations of the ordering in a hybrid cylindrical film of nematic liquid crystals

Abstract

We present an investigation of the ordering in a nematic liquid-crystal film confined between two cylindrical surfaces with antagonistic (radial and planar) anchoring alignments. A Monte Carlo study of a Lebwohl-Lasher model with suitable boundary conditions has been performed to calculate the ordering and the molecular organization for different film thicknesses. The simulation results are compared with some theoretical predictions obtained with the elastic continuum approach. The agreement between theory and simulation is improved as the thickness decreases.

Equilibrium structure and dynamics of organic crystals by Monte Carlo simulation: critical assessment of force fields and comparison with static packing analysis

“…4 MC is routinely used in the optimization of the fit between experiment and calculation for the solution of powder crystal studies, 5 and in the simulation of crystal growth; 6,7 it is a staple of the molecular simulation of liquid crystals. 8 Its reaction-ensemble variant has been used to simulate polymorphic phase behaviour. 9 Details of crystal melting have been explored by MD, 10,11 while crystal assembling has been tentatively studied by biased MC methods 12 and by MD.…”