Monte Carlo simulation of interacting liquid crystal and substrate using rigid model molecules

Abstract

In the present study, we propose Monte Carlo simulation that takes into consideration the interface phenomena between liquid crystal and substrate. We use rigid model molecules of liquid crystal and substrate. Interface is generated using potential field that induces decomposition of molecules. We use hard spherocylinders as model liquid crystal molecules. Substrate is modeled as region composed of shorter spherocylinders. Our results show that there is a case in which nematic order is reinforced in the vicinity of rubbed substrate.

Keywords:

• Monte Carlo simulation
• Nematic phase
• Interface
• Substrate

Notes

Graduate School of Science and Engineering , Yamagata University, 4–3–16 Jonan, Yonezawa 992–8510, Japan

LG. Philips LCD Co., Ltd. Japan R&D Lab. 453, Hakusan High‐Tech Park, 18–2, 1‐Chome, Hakusan, Midori‐ku, Yokohama 226–0006, Japan