Dense crystalline packings of ellipsoids

Citation:

Jin W, Jiao Y, Liu L, Yuan Y, Li S. Dense crystalline packings of ellipsoids. Physical Review E [Internet]. 2017;95:033003.

摘要:

An ellipsoid, the simplest nonspherical shape, has been extensively used as a model for elongated building blocks for a wide spectrum of molecular, colloidal, and granular systems. Yet the densest packing of congruent hard ellipsoids, which is intimately related to the high-density phase of many condensed matter systems, is still an open problem. We discover an unusual family of dense crystalline packings of self-dual ellipsoids (ratios of the semiaxes α:α:1), containing 24 particles with a quasi-square-triangular (SQ-TR) tiling arrangement in the fundamental cell. The associated packing density ϕ exceeds that of the densest known SM2 crystal [ A. Donev et al.Phys. Rev. Lett. 92, 255506 (2004)] for aspect ratios α in (1.365, 1.5625), attaining a maximal ϕ0.75806... at α=93/64. We show that the SQ-TR phase derived from these dense packings is thermodynamically stable at high densities over the aforementioned α range and report a phase diagram for self-dual ellipsoids. The discovery of the SQ-TR crystal suggests organizing principles for nonspherical particles and self-assembly of colloidal systems.

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