Smectic-A Free Standing Film of Lennard-Jones Spherocylinder Model

Details Smectic-A Free Standing Film of Lennard-Jones Spherocylinder Model Smectic-A Free Standing Film of Lennard-Jones Spherocylinder Model

2008-06-27

arxiv.org/abs/0806.4438v1

J. Phys. Soc. Jpn. 77 (2008) 074602

Physics

Condensed Matter

Soft Condensed Matter

7 pages, 9 figures

Scientific paper

10.1143/JPSJ.77.074602

A spherocylinder-like molecule with a Lennard-Jones type interaction is proposed as a model of smectic-A (Sm-A) liquid crystals, which can form a free-standing film. By means of Gibbs ensemble simulations, the isotropic, nematic, and Sm-A phases of the model fluid are found to coexist with a vapor phase; and the coexistence conditions of the liquid crystal phases with the vapor phase are determined. For a set of the interaction-parameters of the model molecule, the Sm-A free-standing film is produced below the bulk isotropic--Sm-A phase transition temperature by using Monte Carlo simulations. The film tension of the Sm-A free-standing film is calculated and its dependencies on the temperature and on the number of molecules are discussed.

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