Computer simulation study of the nematic-vapour interface in the Gay-Berne model

TL;DR

This paper uses computer simulations to study the vapour-nematic interface in the Gay-Berne model, analyzing molecular orientation, surface tension, and their dependence on temperature for different molecular shapes.

Contribution

It provides new insights into the anchoring behavior and surface tension of nematic-vapour interfaces in the Gay-Berne model, including a universal law for surface tension dependence on temperature.

Findings

Anchoring of nematic phase correlates with intermolecular potential parameters.

Surface tension follows a corresponding states law with temperature.

Results apply to both prolate and oblate molecules.

Abstract

We present computer simulations of the vapour-nematic interface of the Gay-Berne model. We considered situations which correspond to either prolate or oblate molecules. We determine the anchoring of the nematic phase and correlate it with the intermolecular potential parameters. On the other hand, we evaluate the surface tension associated to this interface. We find a corresponding states law for the surface tension dependence on the temperature, valid for both prolate and oblate molecules.