Pressure, alignment and phase behavior of a simple model liquid crystal. A Monte Carlo simulation study

✍ Scribed by Haiko Steuer; Siegfried Hess; Martin Schoen

• Book ID: 104340943
• Publisher: Elsevier Science
• Year: 2003
• Tongue: English
• Weight: 646 KB
• Volume: 328
• Category: Article
• ISSN: 0378-4371
• DOI: 10.1016/s0378-4371(03)00547-8

✦ Synopsis

Monte Carlo simulations for a simple model for liquid crystals in the bulk are presented. The model potential describes the anisotropy of the particles in the attractive part of the Lennard Jones-like pair interaction. Isotherms were calculated with constant-volume and constant-pressure simulations. Comparison with previously presented analytical calculations show a good agreement for high temperatures. Isochores for two di erent densities were calculated. A nematic phase is observed, often metastable. By decreasing the temperature further, we get a phase transition to a layered phase where the system shows a crystalline structure. In the heating process the nematic phase is very narrow, so we have a nearly monotropic nematic phase.