Assessing the utility of structure in amorphous materials
文献类型：期刊论文
| 作者 | Wei D(魏丹)3,4 ; Yang J(杨杰)3,4; Jiang MQ(蒋敏强)3,4; Dai LH(戴兰宏)3,4; Wang YJ(王云江)3,4; Dyre JC2; Douglass I1; Harrowell P1
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| 刊名 | JOURNAL OF CHEMICAL PHYSICS
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| 出版日期 | 2019-03-21 |
| 卷号 | 150期号:11页码:10 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.5064531 |
| 通讯作者 | Wei, Dan() |
| 英文摘要 | 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). |
| 分类号 | 二类 |
| WOS关键词 | MOLECULAR-DYNAMICS ; METALLIC-GLASS ; LOCAL ORDER ; LIQUID ; SIMULATION ; PACKING ; MODEL |
| 资助项目 | 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 |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000462014500023 |
| 资助机构 | 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 |
| 其他责任者 | Wei, Dan |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/78931]  |
| 专题 | 力学研究所_非线性力学国家重点实验室 |
| 作者单位 | 1.Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia 2.Roskilde Univ, Dept Sci & Environm, Glass & Time, IMFUFA, POB 260, DK-4000 Roskilde, Denmark; 3.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China; 4.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China; |
| 推荐引用方式 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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来源：力学研究所
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