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

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.

4 pages, 2 figures

References in corpus (3)

• Observation of empty liquids and equilibrium gels in a colloidal clay
• Replica exchange Monte Carlo applied to Hard Spheres
• Equilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte-Carlo simulations

Cited by in corpus (4)

• Revisiting the phase diagram of hard ellipsoids
• Machine-learning effective many-body potentials for anisotropic particles using orientation-dependent symmetry functions
• Hard ellipsoids: analytically approaching the exact overlap distance
• Ordering transitions of weakly anisotropic hard rods in narrow slit-like pores