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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2010, 4, 61—69.
Simulation of LC Octylcyanobiphenyl Molecules Orientation on Crystals Surface
A. K. Dadivanyan, D. N. Chausov, Y. M. Pashinina, V. V. Belyaev
Author affiliations Moscow Region State University, Theoretical Physics Department,
10a, Radio str., Moscow, 105005, Russia E-mail: firstname.lastname@example.org
Abstract The goal of the work is the simulation of LC and their fragments orientation calculating an interaction energy between atoms of different molecules with atoms of a substrate surface with regular structure (graphite, polyethylene) and angles characterizing their orientation towards the surface. A model of a contacting surface is proposed to explain the type of LC alignment.