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arXiv · 1105.2789

Equation of state of hard oblate ellipsoids by replica exchange Monte Carlo

G. Odriozola·F. de J. Guevara-Rodríguez
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Abstract

We implemented the replica exchange Monte Carlo technique to produce the equation of state of hard 1:5 aspect-ratio oblate ellipsoids for a wide density range. For this purpose, we considered the analytical approximation of the overlap distance given by Bern and Pechukas and the exact numerical solution given by Perram and Wertheim. For both cases we capture the expected isotropic-nematic transition at low densities and a nematic-crystal transition at larger densities. For the exact case, these transitions occur at the volume fraction 0.341, and in the interval $0.584-0.605$, respectively.

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G. Odriozola, F. de J. Guevara-Rodríguez. 2011-05-20. Equation of state of hard oblate ellipsoids by replica exchange Monte Carlo. https://doi.org/10.1063/1.3596728

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