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Durham University

Department of Physics

Staff profile

Publication details for Professor Stewart Clark

Cheung, D.L., Clark, S.J. & Wilson, M.R. (2002). Calculation of the rotational viscosity of a nematic liquid crystal. Chemical Physics Letters 356(1-2): 140-146.

Author(s) from Durham


Equilibrium molecular dynamics calculations have been performed for the liquid crystal molecule n-4-(trans-4-n-pentylcyclohexyl)benzonitrile (PCH5) using a fully atomistic model. Simulation data has been obtained for a series of temperatures in the nematic phase. The rotational viscosity co-efficient, γ1, has been calculated using the angular velocity correlation function of the nematic director, n, the mean squared diffusion of n and statistical mechanical methods based on the rotational diffusion co-efficient. We find good agreement between the first two methods and experimental values.