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

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.

KEYWORDS:

• Monte Carlo simulation
• liquid crystal
• Gay–Berne model
• interfaces
• anchoring
• surface tension

Acknowledgments

We acknowledge financial support from the Portuguese Foundation for Science and Technology under Contract No. EXCL/FIS-NAN/0083/2012, the Spanish Ministerio de Economía y Competitividad through grant no. FIS2012-32455, and Junta de Andalucía through grant no. P09-FQM-4938, all co-funded by the EU FEDER.

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

Consejería de Economía, Innovación, Ciencia y Empleo, Junta de Andalucía [grant number P09-FQM-4938]; Fundação para a Ciência e a Tecnologia [grant number EXCL/FIS-NAN/0083/2012]; Ministerio de Economía y Competitividad [grant number FIS2012-32455].