Molecular Graphics and the Computer Simulation of Liquid Crystals

Abstract

Molecular dynamics simulations of systems of hard ellipsoids of revolution have been carried out. Using configurations generated in these simulations, it is shown how molecular graphics can be used to examine the structure within the nematic liquid crystal phase, and close to the isotropic-nematic phase transition. A way of visualizing the degree of orientational order in these systems is presented.

Key Words:

• Molecular graphics
• Liquid crystals
• structure
• nematic phase
• orientational order