2008/06/26 by Masashi Torikai
Engineering · Materials Science · Physics and Astronomy · #Canonical ensemble #Characterization and Applications of Magnetic Nanoparticles #Crystal (programming language) #Liquid Crystal Research Advancements #Liquid crystal #Material Dynamics and Properties #Molecule #Monte Carlo method #Phase (matter) #Phase diagram #Phase transition #cond-mat.soft
paper · pdf · doi:10.1143/jpsj.77.074602
published as J. Phys. Soc. Jpn. 77 (2008) 074602 · 7 pages, 9 figures
openalex publication_date 2008/06/26 · arxiv created 2008/06/27 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
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.