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Bautista-Carbajal G, Moncho-Jordá A, Odriozola G. Further details on the phase diagram of hard ellipsoids of revolution. J Chem Phys. 2013;138(6):064501doi: 10.1063/1.4789957.
Bautista-Carbajal, G., Moncho-Jordá, A., & Odriozola, G. (2013). Further details on the phase diagram of hard ellipsoids of revolution. The Journal of chemical physics, 138(6), 064501. https://doi.org/10.1063/1.4789957
Bautista-Carbajal, Gustavo, et al. "Further details on the phase diagram of hard ellipsoids of revolution." The Journal of chemical physics vol. 138,6 (2013): 064501. doi: https://doi.org/10.1063/1.4789957
Bautista-Carbajal G, Moncho-Jordá A, Odriozola G. Further details on the phase diagram of hard ellipsoids of revolution. J Chem Phys. 2013 Feb 14;138(6):064501. doi: 10.1063/1.4789957. PMID: 23425473.
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J Chem Phys. 2013 Feb 14;138(6):064501. doi: 10.1063/1.4789957.

Further details on the phase diagram of hard ellipsoids of revolution.

The Journal of chemical physics

Gustavo Bautista-Carbajal, Arturo Moncho-Jordá, Gerardo Odriozola

Affiliations

  1. Departamento de Física, Universidad Autónoma Metropolitana-Iztapalapa, 09340 México, Distrito Federal, Mexico.

PMID: 23425473 DOI: 10.1063/1.4789957

Abstract

In recent work we revisited the phase diagram of hard ellipsoids of revolution (spheroids) by means of replica exchange Monte Carlo simulations. This was done by setting random initial configurations, and allows to confirm the formation of sm2 crystal structures at high densities [P. Pfleiderer and T. Schilling, Phys. Rev. E 75, 020402 (2007)] for large anisotropies and stretched-fcc for small anisotropies. In this work we employed the same technique but setting the starting cells as sm2 crystal structures having the maximum known packing density [A. Donev, F. H. Stillinger, P. M. Chaikin, and S. Torquato, Phys. Rev. Lett. 92, 255506 (2004)]. This procedure yields a very rich behavior for quasi-spherical oblates and prolates. These systems, from low to high pressures, show the following phases: isotropic fluid, plastic solid, stretched-fcc solid, and sm2 solid. The first three transitions are first order, whereas the last one is a subtle, probably high order transition. This picture is consistent with the fact of having the sm2 structure capable of producing the maximally achievable density.

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