Ergodic Structural Diversity Predicts Dynamics in Amorphous Materials | |
Yang ZY(杨增宇)1,2![]() ![]() | |
Source Publication | FRONTIERS IN MATERIALS
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2022-03-14 | |
Volume | 9Pages:8 |
ISSN | 2296-8016 |
Abstract | 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. |
Keyword | shannon entropy structure-property relationship amorphous materials potential-energy landscape boson peak |
DOI | 10.3389/fmats.2022.855681 |
Indexed By | SCI ; EI |
Language | 英语 |
WOS ID | WOS:000777058300001 |
WOS Keyword | MOLECULAR-DYNAMICS ; RELAXATION ; ORDER ; FLOW |
WOS Research Area | Materials Science |
WOS Subject | Materials Science, Multidisciplinary |
Funding Project | National Natural Science Foundation of China[12072344] ; Youth Innovation Promotion Association of the Chinese Academy of Sciences[2017025] |
Funding Organization | National Natural Science Foundation of China ; Youth Innovation Promotion Association of the Chinese Academy of Sciences |
Classification | 二类 |
Ranking | 1 |
Contributor | Wang, Yun-Jiang |
Citation statistics | |
Document Type | 期刊论文 |
Identifier | http://dspace.imech.ac.cn/handle/311007/88836 |
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, Peoples R China; 2.Univ Chinese Acad Sci, Sch Engn Sci, Beijing, Peoples R China |
Recommended Citation GB/T 7714 | Yang ZY,Wang YJ. Ergodic Structural Diversity Predicts Dynamics in Amorphous Materials[J]. FRONTIERS IN MATERIALS,2022,9:8.Rp_Au:Wang, Yun-Jiang |
APA | Yang ZY,&Wang YJ.(2022).Ergodic Structural Diversity Predicts Dynamics in Amorphous Materials.FRONTIERS IN MATERIALS,9,8. |
MLA | Yang ZY,et al."Ergodic Structural Diversity Predicts Dynamics in Amorphous Materials".FRONTIERS IN MATERIALS 9(2022):8. |
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Jp2022FA482_2022_Erg(3497KB) | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download |
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