Dense crystalline packings of ellipsoids

doi:10.1103/PhysRevE.95.033003

CORC > 北京大学 > 工学院

	Dense crystalline packings of ellipsoids
	Jin, Weiwei ; Jiao, Yang ; Liu, Lufeng ; Yuan, Ye ; Li, Shuixiang
刊名	PHYSICAL REVIEW E
	2017
关键词	MOLECULAR-DYNAMICS SIMULATION NONSPHERICAL HARD PARTICLES PHASE-DIAGRAM TRUNCATED TETRAHEDRA MONTE-CARLO SPHEROCYLINDERS FLUID
DOI	10.1103/PhysRevE.95.033003
英文摘要	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 alpha :root alpha: 1), containing 24 particles with a quasi-square-triangular (SQ-TR) tiling arrangement in the fundamental cell. The associated packing density phi exceeds that of the densest known SM2 crystal [A. Donev et al., Phys. Rev. Lett. 92, 255506 (2004)] for aspect ratios a in (1.365, 1.5625), attaining a maximal phi approximate to 0.758 06... at alpha = 93/64. We show that the SQ-TR phase derived from these dense packings is thermodynamically stable at high densities over the aforementioned a 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.; National Natural Science Foundation of China [11272010, 11572004]; Science Challenge Project [JCKY2016212A502]; SCI(E); ARTICLE; 3; 95
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/474505]
专题	工学院
推荐引用方式 GB/T 7714	Jin, Weiwei,Jiao, Yang,Liu, Lufeng,et al. Dense crystalline packings of ellipsoids[J]. PHYSICAL REVIEW E,2017.
APA	Jin, Weiwei,Jiao, Yang,Liu, Lufeng,Yuan, Ye,&Li, Shuixiang.(2017).Dense crystalline packings of ellipsoids.PHYSICAL REVIEW E.
MLA	Jin, Weiwei,et al."Dense crystalline packings of ellipsoids".PHYSICAL REVIEW E (2017).