Molecular Dynamics Simulation of nCB series

Details Molecular Dynamics Simulation of nCB series Molecular Dynamics Simulation of nCB series

Apr 2007

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2007aipc..899..607c&link_type=abstract

SIXTH INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION. AIP Conference Proceedings, Volume 899, pp. 607-607 (2007).

Physics

Orientational Order Of Liquid Crystals, Electric And Magnetic Field Effects On Order, Molecular And Microscopic Models And Theories Of Liquid Crystal Structure

Scientific paper

This study describes the molecular dynamics (MD) simulations of the 4-n-alkyl-4'-cyanobiphenyl (nCB, n=5-9) liquid crystal homologous series at a selected temperature in the nematic phase. The order parameters and the biaxialities for five mesogens were found to be reasonable agreement with experiments. The orientational distributions of C-C bonds in alkyl chain of nCB were calculated and given for 6CB and 7CB. The odd-even effect was also discussed.

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