Structural Parameter of Orientational Order to Predict the Boson Vibrational Anomaly in Glasses

doi:10.1103/PhysRevLett.122.015501

CORC > 力学研究所 > 中国科学院力学研究所 > 非线性力学国家重点实验室

	Structural Parameter of Orientational Order to Predict the Boson Vibrational Anomaly in Glasses
	Yang J; Wang YJ(王云江); Ma E ; Zaccone A ; Dai LH(戴兰宏); Jiang MQ(蒋敏强)
刊名	PHYSICAL REVIEW LETTERS
	2019-01-04
卷号	122 期号:1 页码:AR15501
ISSN号	0031-9007
DOI	10.1103/PhysRevLett.122.015501
英文摘要	It has so far remained a major challenge to quantitatively predict the boson peak, a THz vibrational anomaly universal for glasses, from features in the amorphous structure. Using molecular dynamics simulations of amodel Cu50Zr50 glass, we decompose the boson peak to contributions from atoms residing in different types of Voronoi polyhedra. We then introduce a microscopic structural parameter to depict the "orientational order," using the vector pointing from the center atom to the farthest vertex of its Voronoi coordination polyhedron. This order parameter represents the most probable direction of transverse vibration at low frequencies. Its magnitude scales linearly with the boson peak intensity, and its spatial distribution accounts for the quasilocalized modes. This correlation is shown to be universal for different types of glasses.
分类号	一类
WOS关键词	LIGHT-SCATTERING ; SIMULATION ; LIQUID ; PEAK ; DYNAMICS ; PHONONS
WOS研究方向	Physics, Multidisciplinary
语种	英语
WOS记录号	WOS:000455065000007
资助机构	NSFC [11522221, 11790292, 11672299] ; Strategic Priority Research Program [XDB22040303] ; Key Research Program of Frontier Sciences [QYZDJSSW-JSC011] ; Youth Innovation Promotion Association of CAS [2017025] ; US-NSF-DMR [1505621]
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/78429]
专题	力学研究所_非线性力学国家重点实验室
作者单位	1.{Yang, J、Wang, Yun-Jiang、Dai, LH、Jiang, MQ} Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China 2.{Yang, J、Wang, Yun-Jiang、Dai, LH、Jiang, MQ} Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China 3.{Ma, E} Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA 4.{Zaccone, A} Univ Cambridge, Dept Chem Engn & Biotechnol, Cambridge CB2 3RA, England 5.{Zaccone, A} Univ Cambridge, Cavendish Lab, Cambridge CB3 9HE, England 6.{Zaccone, A} Univ Milan, Dept Phys, Via Celoria 16, I-20133 Milan, Italy
推荐引用方式 GB/T 7714	Yang J,Wang YJ,Ma E,et al. Structural Parameter of Orientational Order to Predict the Boson Vibrational Anomaly in Glasses[J]. PHYSICAL REVIEW LETTERS,2019,122(1):AR15501.
APA	Yang J,王云江,Ma E,Zaccone A,戴兰宏,&蒋敏强.(2019).Structural Parameter of Orientational Order to Predict the Boson Vibrational Anomaly in Glasses.PHYSICAL REVIEW LETTERS,122(1),AR15501.
MLA	Yang J,et al."Structural Parameter of Orientational Order to Predict the Boson Vibrational Anomaly in Glasses".PHYSICAL REVIEW LETTERS 122.1(2019):AR15501.