R. Memmer et al., COMPUTER-SIMULATION OF CHIRAL LIQUID-CRYSTAL PHASES .2. THE USE OF TWISTED BOUNDARY-CONDITIONS, Berichte der Bunsengesellschaft fur Physikalische Chemie, 97(10), 1993, pp. 1193-1199
Citations number
14
Categorie Soggetti
Chemistry Physical
Journal title
Berichte der Bunsengesellschaft fur Physikalische Chemie
Using the Monte Carlo technique, we study an ensemble of N = 256 parti
cles interacting via a chiral modified Gay-Berne potential introduced
in part 1. We introduce twisted boundary conditions which allow the fo
rmation of helical phases with lower potential energy and a larger pit
ch in comparison with the results of simulations using cubic periodic
boundary conditions. The amount of chiral and achiral energy contribut
ions to the total potential energy are discussed for the obtained chol
esteric, helical smectic and blue phases.