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The Landau free energy of hard ellipses obtained from microscopic simulations

Luo, A. M., Sagis, L. M. C. and Ilg, P. (2014) The Landau free energy of hard ellipses obtained from microscopic simulations. The Journal of Chemical Physics, 140. 124901. ISSN 0021-9606

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To link to this item DOI: 10.1063/1.4868988


Systems of two-dimensional hard ellipses of varying aspect ratios and packing fractions are studied by Monte Carlo simulations in the generalised canonical ensemble. From this microscopic model, we extract a coarse-grained macroscopic Landau-de Gennes free energy as a function of packing fraction and orientational order parameter. We separate the free energy into the ideal orientational entropy of non-interacting two-dimensional spins and an excess free energy associated with excluded volume interactions. We further explore the isotropic-nematic phase transition using our empirical expression for the free energy and find that the nature of the phase transition is continuous for the aspect ratios we studied.

Item Type:Article
Divisions:Science > School of Mathematical, Physical and Computational Sciences > Department of Mathematics and Statistics
ID Code:36274
Publisher:American Institute of Physics

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