Ergodic Structural Diversity Predicts Dynamics in Amorphous Materials
文献类型：期刊论文
| 作者 | Yang, Zeng-Yu1,2 ; Wang, Yun-Jiang1,2; Wang YJ(王云江); Yang ZY(杨增宇); Wang YJ(王云江); Yang ZY(杨增宇)
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| 刊名 | FRONTIERS IN MATERIALS
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| 出版日期 | 2022-03-14 |
| 卷号 | 9页码:8 |
| 关键词 | shannon entropy structure-property relationship amorphous materials potential-energy landscape boson peak |
| ISSN号 | 2296-8016 |
| DOI | 10.3389/fmats.2022.855681 |
| 通讯作者 | Wang, Yun-Jiang(yjwang@imech.ac.cn) |
| 英文摘要 | Identification of flexible local environments from a disordered medium has been a long-standing challenge. Here, we introduce a time-relevant structural Shannon entropy as a unique feature of the atomic-scale environment in glass, which is based on a metric of the time-invariant, or ergodic, and Voronoi structural diversity that an atom experiences during a sufficiently long-time thermal fluctuation. This new concept of time-relevant Shannon entropy simultaneously integrates the static topology and the vibrational feature such that it potentially probes all the possible configurational space in a sub-basin of the local potential energy landscape. This structural representation is not only capable of predicting the energy barrier of an elementary structural excitation but also demonstrates a robust correlation with the boson peak in metallic glasses, although the physical entity is defined from a purely structural aspect. The proposition, therefore, represents a successful demonstration of the physics-informed structure-property relationship in amorphous materials. |
| WOS关键词 | MOLECULAR-DYNAMICS ; RELAXATION ; ORDER ; FLOW |
| 资助项目 | National Natural Science Foundation of China[12072344] ; Youth Innovation Promotion Association of the Chinese Academy of Sciences[2017025] |
| WOS研究方向 | Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000777058300001 |
| 资助机构 | National Natural Science Foundation of China ; Youth Innovation Promotion Association of the Chinese Academy of Sciences |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/88835]  |
| 专题 | 力学研究所_非线性力学国家重点实验室 |
| 通讯作者 | Wang, Yun-Jiang |
| 作者单位 | 1.Univ Chinese Acad Sci, Sch Engn Sci, Beijing, Peoples R China 2.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Zeng-Yu,Wang, Yun-Jiang,Wang YJ,et al. Ergodic Structural Diversity Predicts Dynamics in Amorphous Materials[J]. FRONTIERS IN MATERIALS,2022,9:8. |
| APA | Yang, Zeng-Yu,Wang, Yun-Jiang,王云江,杨增宇,Wang YJ,&Yang ZY.(2022).Ergodic Structural Diversity Predicts Dynamics in Amorphous Materials.FRONTIERS IN MATERIALS,9,8. |
| MLA | Yang, Zeng-Yu,et al."Ergodic Structural Diversity Predicts Dynamics in Amorphous Materials".FRONTIERS IN MATERIALS 9(2022):8. |
入库方式： OAI收割
来源：力学研究所
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