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Computer simulation study of a nematogenic lattice model based on an elastic energy mapping of the pair potential
Abstract:Director configurations in a nematic liquid crystal can be determined by minimizing its total elastic free energy, for given elastic constants and specific boundary conditions. In some cases, these configurations have been obtained by numerical procedures where the elastic free energy density plays the same role as the overall potential energy in a standard Metropolis Monte Carlo simulation. The interaction energies or potentials used in these studies are short ranged but, in general, not pairwise additive, unless the three elastic constants are set to a common value, thus reducing the potential to that in the well-known Lebwohl-Lasher lattice model. On the other hand, we can construct, in different ways, a lattice model with pairwise additive interactions, which approximately reproduces the elastic free energy density, where the parameters defining the pair potential are expressed as linear combinations of elastic constants. An anisotropic nematogenic pair interaction of this kind, originally proposed by Gruhn and Hess (T. Gruhn and S. Hess, Z. Naturforsch. A51, 1 (1996)), has recently been investigated by one of us, using a Monte Carlo simulation (S. Romano, Int. J. Mod. Phys. B 12, 2305 (1998)). Here we propose another approximate procedure for the mapping, and study the resulting pair potential model with the aid of Monte Carlo simulations. The behaviour of the nematic phases formed by the two models is compared together with the predictions of molecular field theory and the properties of the Lebwohl-Lasher model.
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