| 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
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| Corresponding Author | Wei, Dan() |
| Source Publication | JOURNAL OF CHEMICAL PHYSICS
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| 2019-03-21 | |
| Volume | 150Issue:11Pages:10 |
| ISSN | 0021-9606 |
| Abstract | This 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). |
| DOI | 10.1063/1.5064531 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000462014500023 |
| WOS Keyword | MOLECULAR-DYNAMICS ; METALLIC-GLASS ; LOCAL ORDER ; LIQUID ; SIMULATION ; PACKING ; MODEL |
| WOS Research Area | Chemistry ; Physics |
| WOS Subject | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| Funding Project | NSFC[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 Organization | NSFC ; 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 |
| Ranking | 1 |
| Contributor | Wei, Dan |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/78931 |
| Collection | 非线性力学国家重点实验室 |
| Affiliation | 1.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.Rp_Au:Wei, Dan |
| 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. |
| Files in This Item: | Download All | |||||
| File Name/Size | DocType | Version | Access | License | ||
| Jp2019148.pdf（2264KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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