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Investigating the Calculation of Rotational Viscosity of the Mixture Comprising Different Kinds of Liquid Crystals:Molecular Dynamics Computer Simulation Approach
Authors:Kim Jinsoo  Jamil Muhammad  Jung Jae Eun  Jang Jae Eun  Farzana Ahmad  Jin Woo Lee  Sang Woo Park  Woo Min-Kyung  Kwak Ji Yeon  Jeon Young-Jae
Affiliation:1. Liquid Crystal Research Centre, Department of Chemistry, Konkuk University, 143‐701 Seoul, Korea;2. Division of International Affairs, University College, Konkuk University, 143‐701 Seoul, Korea;3. Samsung Advanced Institute of Technology (SAID), Yongin‐shi, Gyeonggi‐do 446‐712, Korea
Abstract:
Molecular dynamics (MD) computer simulation techniques, as a powerful tool commonly utilized by the liquid crystal display (LCD) community, usually are employed for computing the equilibrium and transport properties of a classical many body system, since they are very similar to real experiments in many respects. In this paper we present molecular dynamics computer simulation results taken for a mixture of the two different kinds of nematic liquid crystals (LCs). We calculated rotational viscosity from Brownian behavior with friction of the mean director of the mixture comprising pentylcyanobiphenol (5CB) and decylcyanobiphenol (10CB) by using molecular dynamics computer simulation, where intermolecular potential parameter is Generalized AMBER force field (GAFF). Our computed results show a good agreement with the experimental results.
Keywords:liquid crystal mixture  ab initio calculations  rotational viscosity, generalized AMBER force field (GAFF)  molecular dynamics simulation  nematic liquid crystals  computer simulation
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