Reaction-field and Ewald summation methods in Monte Carlo simulations of dipolar liquid crystals

摘要

The treatment of the long-range dipolar interactions in simulations of mesogens is examined. After a brief reformulation of the standard Ewald summation and reaction-field methods in The general context of electrostatics using Green functions, we report the results of Monte Carlo simulations of liquid crystalline phases for L/D=5 hare spherocylinders (cylinder Length L and diameter D) with central point dipoles oriented along the main axis of the Cylinder.