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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)
AbstractIt 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.
Indexed BySCI ; EI
WOS IDWOS:000455065000007
WOS Research AreaPhysics, Multidisciplinary
WOS SubjectPhysics
Funding OrganizationNSFC [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]
ContributorWang, YJ ; Jiang, MQ 
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Cited Times:15[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Affiliation1.{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
Recommended Citation
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.
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