Rotational viscosity of a liquid crystal mixture: a fully atomistic molecular dynamics study |
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| Authors: | Zhang Ran Peng Zeng-Hui Liu Yong-Gang Zheng Zhi-Gang and Xuan Li |
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| Affiliation: | State Key Laboratory of Applied Optics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033, China; Graduate School of the Chinese Academy of Sciences, Beijing 100049, China |
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| Abstract: | Fully atomistic molecular dynamics (MD) simulations at 293, 303 and
313~K have been performed for the four-component liquid crystal
mixture, E7, using the software package Material Studio. Order
parameters and orientational time correlation functions (TCFs) were
calculated from MD trajectories. The rotational viscosity
coefficients (RVCs) of the mixture were calculated using the
Nemtsov--Zakharov and Fialkowski methods based on
statistical-mechanical approaches. Temperature dependences of RVC
and density were discussed in detail. Reasonable agreement between
the simulated and experimental values was found. |
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| Keywords: | rotational viscosity molecular
dynamic simulation nematic liquid crystal mixture |
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