Structure, compressibility factor, and dynamics of highly size-asymmetric binary hard-disk liquids

doi:10.1063/1.4751546

CORC > 化学研究所 > 中国科学院化学研究所

	Structure, compressibility factor, and dynamics of highly size-asymmetric binary hard-disk liquids
	Xu, Wen-Sheng; Sun, Zhao-Yan; An, Li-Jia
刊名	JOURNAL OF CHEMICAL PHYSICS
	2012-09-14
卷号	137 期号:10
ISSN号	0021-9606
DOI	10.1063/1.4751546
英文摘要	By using event-driven molecular dynamics simulation, we investigate effects of varying the area fraction of the smaller component on structure, compressibility factor, and dynamics of the highly size-asymmetric binary hard-disk liquids. We find that the static pair correlations of the large disks are only weakly perturbed by adding small disks. The higher-order static correlations of the large disks, by contrast, can be strongly affected. Accordingly, the static correlation length deduced from the bond-orientation correlation functions first decreases significantly and then tends to reach a plateau as the area fraction of the small disks increases. The compressibility factor of the system first decreases and then increases upon increasing the area fraction of the small disks and separating different contributions to it allows to rationalize this non-monotonic phenomenon. Furthermore, adding small disks can influence dynamics of the system in quantitative and qualitative ways. For the large disks, the structural relaxation time increases monotonically with increasing the area fraction of the small disks at low and moderate area fractions of the large disks. In particular, "reentrant" behavior appears at sufficiently high area fractions of the large disks, strongly resembling the reentrant glass transition in short-ranged attractive colloids and the inverted glass transition in binary hard spheres with large size disparity. By tuning the area fraction of the small disks, relaxation process for the small disks shows concave-to-convex crossover and logarithmic decay behavior, as found in other binary mixtures with large size disparity. Moreover, diffusion of both species is suppressed by adding small disks. Long-time diffusion for the small disks shows power-law-like behavior at sufficiently high area fractions of the small disks, which implies precursors of a glass transition for the large disks and a localization transition for the small disks. Therefore, our results demonstrate the generic dynamic features in highly size-asymmetric binary mixtures. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4751546]
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000309100400036
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/47455]
专题	中国科学院化学研究所
通讯作者	Sun, Zhao-Yan
作者单位	Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China
推荐引用方式 GB/T 7714	Xu, Wen-Sheng,Sun, Zhao-Yan,An, Li-Jia. Structure, compressibility factor, and dynamics of highly size-asymmetric binary hard-disk liquids[J]. JOURNAL OF CHEMICAL PHYSICS,2012,137(10).
APA	Xu, Wen-Sheng,Sun, Zhao-Yan,&An, Li-Jia.(2012).Structure, compressibility factor, and dynamics of highly size-asymmetric binary hard-disk liquids.JOURNAL OF CHEMICAL PHYSICS,137(10).
MLA	Xu, Wen-Sheng,et al."Structure, compressibility factor, and dynamics of highly size-asymmetric binary hard-disk liquids".JOURNAL OF CHEMICAL PHYSICS 137.10(2012).