Statistical complexity of potential energy landscape as a dynamic signature of the glass transition
文献类型：期刊论文
| 作者 | Han D(韩栋)3,4; Wei D(魏丹)3,4; Cao PH1,2; Wang YJ(王云江)3,4; Dai LH(戴兰宏)3,4; Wang YJ(王云江) ; Dai LH(戴兰宏); Wei D(魏丹)
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| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 2020-02-18 |
| 卷号 | 101期号:6页码:14 |
| ISSN号 | 2469-9950 |
| DOI | 10.1103/PhysRevB.101.064205 |
| 通讯作者 | Wang, Yun-Jiang(yjwang@imech.ac.cn) |
| 英文摘要 | Dynamic heterogeneity is an intrinsic characteristic of amorphous materials that is closely related to the mysterious glass transition. However, there is seldom an intuitive physical parameter characterizing the degree of dynamic heterogeneity and linking it quantitatively to the dynamic arrest phenomenon at the glass transition. Here, we propose a general theoretical protocol to explain the glass transition via a statistical parameter quantifying the dynamic heterogeneity of glass-forming systems. The parameter can be calculated using the concept of the Shannon information entropy associated with the variation in the activation barriers to local structural excitations on the underlying potential energy landscape, which can be explored extensively using the recently developed activation-relaxation technique in inherent structures spanning a wide range of configurational space. The concept is demonstrated successfully in a model of a prototypical glass-forming system Cu50Zr50. The Shannon entropy and statistical variation in the activation barriers are found to change dramatically at the glass-to-liquid transition and, therefore, can be treated as a novel signature of the glass transition, beyond the conventional thermodynamic indicators, such as the volume, potential energy, enthalpy, and heat capacity. The temperature-dependent Shannon entropy coincides with the evolution of the experimentally available stretching exponent during the glass-to-liquid transition and provides an intuitive explanation for the obscure decrease in dynamic heterogeneity from a metastable glass to an equilibrium liquid. Finally, possible relationships among structures, thermodynamics, and dynamics are discussed in terms of quantitative correlations among the structural Shannon entropy, excess total entropy, and dynamic Shannon entropy, respectively. |
| 分类号 | 二类/Q1 |
| WOS关键词 | STRUCTURAL RELAXATION ; SUPERCOOLED LIQUIDS ; METALLIC GLASSES ; DEFORMATION ; PLASTICITY ; FRAGILITY ; KINETICS ; ENTROPY |
| 资助项目 | National Key Research and Development Program of China[2017YFB0701502] ; National Key Research and Development Program of China[2017YFB0702003] ; NSFC[11672299] ; NSFC[11790292] ; Strategic Priority Research Program[XDB22040303] ; Key Research Program of Frontier Sciences[QYZDJSSW-JSC011] ; Youth Innovation Promotion Association of Chinese Academy of Sciences[2017025] |
| WOS研究方向 | Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000514174400005 |
| 资助机构 | National Key Research and Development Program of China ; NSFC ; Strategic Priority Research Program ; Key Research Program of Frontier Sciences ; Youth Innovation Promotion Association of Chinese Academy of Sciences |
| 其他责任者 | Wang, Yun-Jiang |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/81640]  |
| 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 Calif Irvine, Dept Mat Sci & Engn, Irvine, CA 92697 USA 2.Univ Calif Irvine, Dept Mech & Aerosp Engn, Irvine, CA 92697 USA; 3.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, 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 | Han D,Wei D,Cao PH,et al. Statistical complexity of potential energy landscape as a dynamic signature of the glass transition[J]. PHYSICAL REVIEW B,2020,101(6):14. |
| APA | 韩栋.,魏丹.,Cao PH.,王云江.,戴兰宏.,...&Wei D.(2020).Statistical complexity of potential energy landscape as a dynamic signature of the glass transition.PHYSICAL REVIEW B,101(6),14. |
| MLA | 韩栋,et al."Statistical complexity of potential energy landscape as a dynamic signature of the glass transition".PHYSICAL REVIEW B 101.6(2020):14. |
入库方式： OAI收割
来源：力学研究所
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