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 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 and313~K have been performed for the four-component liquid crystalmixture, E7, using the software package Material Studio. Orderparameters and orientational time correlation functions (TCFs) werecalculated from MD trajectories. The rotational viscositycoefficients (RVCs) of the mixture were calculated using theNemtsov--Zakharov and Fialkowski methods based onstatistical-mechanical approaches. Temperature dependences of RVCand density were discussed in detail. Reasonable agreement betweenthe simulated and experimental values was found. |
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| Keywords: | rotational viscosity moleculardynamic simulation nematic liquid crystal mixture |
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