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Assessing the utility of structure in amorphous materials
Wei D(魏丹)1,2; Yang J(杨杰)1,2; Jiang MQ(蒋敏强)1,2; Dai LH(戴兰宏)1,2; Wang YJ(王云江)1,2; Dyre JC3; Douglass I4; Harrowell P4
Corresponding AuthorWei, Dan()
Source PublicationJOURNAL OF CHEMICAL PHYSICS
2019-03-21
Volume150Issue:11Pages:10
ISSN0021-9606
AbstractThis paper presents a set of general strategies for the analysis of structure in amorphous materials and a general approach to assessing the utility of any selected structural description. Two measures of structure are defined, "diversity" and "utility," and applied to two model glass forming binary atomic alloys, Cu50Zr50 and a Lennard-Jones A(80)B(20) mixture. We show that the change in diversity associated with selecting Voronoi structures with high localization or low energy, while real, is too weak to support claims that specific structures are the prime cause of these local physical properties. In addition, a new structure-free measure of incipient crystal-like organization in mixtures is introduced, suitable for cases where the stable crystal is a compound structure. (C) 2019 Author(s).
DOI10.1063/1.5064531
Indexed BySCI ; EI
Language英语
WOS IDWOS:000462014500023
WOS KeywordMOLECULAR-DYNAMICS ; METALLIC-GLASS ; LOCAL ORDER ; LIQUID ; SIMULATION ; PACKING ; MODEL
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
Funding ProjectNSFC[11672299] ; NSFC[11522221] ; NSFC[11790292] ; National Key Research and Development Program of China[2017YFB0702003] ; National Key Research and Development Program of China[2017YFB0701502] ; Strategic Priority Research Program[XDB22040303] ; Key Research Program of Frontier Sciences[QYZDJSSW-JSC011] ; Youth Innovation Promotion Association of CAS ; VILLUM Foundation's Matter project[16515] ; University of Sydney ; Chemistry High Performance Computing Facilities
Funding OrganizationNSFC ; National Key Research and Development Program of China ; Strategic Priority Research Program ; Key Research Program of Frontier Sciences ; Youth Innovation Promotion Association of CAS ; VILLUM Foundation's Matter project ; University of Sydney ; Chemistry High Performance Computing Facilities
Classification二类
Ranking1
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/78932
Collection非线性力学国家重点实验室
Affiliation1.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China;
2.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China;
3.Roskilde Univ, Dept Sci & Environm, Glass & Time, IMFUFA, POB 260, DK-4000 Roskilde, Denmark;
4.Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia
Recommended Citation
GB/T 7714
Wei D,Yang J,Jiang MQ,et al. Assessing the utility of structure in amorphous materials[J]. JOURNAL OF CHEMICAL PHYSICS,2019,150(11):10.
APA 魏丹.,杨杰.,蒋敏强.,戴兰宏.,王云江.,...&Harrowell P.(2019).Assessing the utility of structure in amorphous materials.JOURNAL OF CHEMICAL PHYSICS,150(11),10.
MLA 魏丹,et al."Assessing the utility of structure in amorphous materials".JOURNAL OF CHEMICAL PHYSICS 150.11(2019):10.
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