Molecular Dynamics Simulation of CB Series Liquid Crystals on HOPG

摘要

We performed the classical molecular dynamics (MD) study at constant temperature during the adsorption process of cyanobiphenyl (CB) liquid crystals to the highly oriented pyrolytic graphite (HOPG) substrate, and compared to the Scanning Tunneling Microscope (STM) images obtained experimentally. The present results agree with one of the important features of the STM observation, i.e. the interdigitate pariring of molecules in single row structures of 7CB and 8CB. Unfortunately, the double row structure of 8CB cannot be realized in the present simulation as opposed to the STM observation. This suggests the necessity to increase the density of molecules and perform long time calculations.