Order metrics and order maps of octahedron packings

doi:10.1016/j.physa.2015.10.101

CORC > 北京大学 > 工学院

	Order metrics and order maps of octahedron packings
	Liu, Lufeng ; Lu, Peng ; Meng, Lingyi ; Jin, Weiwei ; Li, Shuixiang
刊名	PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
	2016
关键词	Octahedra Order metrics Order maps Maximally dense random packing (MDRP) RANDOM CLOSE PACKING NUMERICAL-SIMULATION COMPUTER-SIMULATION HARD-SPHERES TETRAHEDRA SPHEROCYLINDERS CRYSTALLINE BEHAVIOR LIQUIDS DENSITY
DOI	10.1016/j.physa.2015.10.101
英文摘要	We apply the ideal octahedron model and the relaxation algorithm in generating octahedron packings. The cubatic order parameter [P-4](1), bond-orientational order metric Q(6), and local cubatic order parameter P-4local of the packings are calculated and their correlations with the packing density are investigated in the order maps. The border curve of packing density separates the geometrically feasible and infeasible regions in the order maps. Observing the transition phenomenon on the border curve, we propose the concept of the maximally dense random packing (MDRP) as the densest packing in the random state in which the particle positions and orientations are randomly distributed and there is no nontrivial spatial correlations among particles. The MDRP characterizes the onset of nontrivial spatial correlations among particles. A special packing with a density about 0.7 is found in the order maps and considered to be the MDRP of octahedra. The P-4local is proposed as a new order parameter for octahedron packings, which measures the average order degree in the neighborhoods of particles. The [P-4](1), Q(6) and P-4local evaluate the order degree of orientation, bond orientation and local structures, respectively and are applied simultaneously to measure the order degree of the octahedron packings. Their thresholds in the random state are determined by Monte Carlo simulations. (C) 2015 Elsevier B.V. All rights reserved.; National Natural Science Foundation of China [11272010, 11572004]; National Basic Research Program of China [2010CB832701]; SCI(E); EI; ARTICLE; lsx@pku.edu.cn; 870-882; 444
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/422582]
专题	工学院
推荐引用方式 GB/T 7714	Liu, Lufeng,Lu, Peng,Meng, Lingyi,et al. Order metrics and order maps of octahedron packings[J]. PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS,2016.
APA	Liu, Lufeng,Lu, Peng,Meng, Lingyi,Jin, Weiwei,&Li, Shuixiang.(2016).Order metrics and order maps of octahedron packings.PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS.
MLA	Liu, Lufeng,et al."Order metrics and order maps of octahedron packings".PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS (2016).