Monte Carlo simulations of orientational ordering of ...

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Title Monte Carlo simulations of orientational ordering of solutes in a nematic solvent: comparison with mean-field models
Author(s) James M. Polson, E. E. Burnell
Journal Molecular Physics
Date 1996
Volume 88
Issue 3
Start page 767
End page 782
Abstract Monte Carlo simulations were used to study orientational ordering of solutes in a nematic phase. Nematogens were modelled as hard prolate ellipsoids with an axis ratio of 5:1. Solutes were also modelled as hard prolate ellipsoids, with a variety of sizes and shape anisotropies. Solute order parameters and singlet orientational distribution functions were analysed using several mean-field models. The results confirm that these empirical mean-field potentials are closely linked to the anisotropic short-range repulsive forces that are crucial for the formation of the nematic phase.

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