IMECH-IR  > 非线性力学国家重点实验室
Statistical complexity of potential energy landscape as a dynamic signature of the glass transition
Han D(韩懂)1,2; Wei D(魏丹)1,2; Cao PH3,4; Wang YJ(王云江)1,2; Dai LH(戴兰宏)1,2
发表期刊PHYSICAL REVIEW B
2020-02-18
卷号101期号:6页码:14
ISSN2469-9950
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.

DOI10.1103/PhysRevB.101.064205
收录类别SCI ; EI
语种英语
WOS记录号WOS:000514174400005
关键词[WOS]STRUCTURAL RELAXATION ; SUPERCOOLED LIQUIDS ; METALLIC GLASSES ; DEFORMATION ; PLASTICITY ; FRAGILITY ; KINETICS ; ENTROPY
WOS研究方向Materials Science ; Physics
WOS类目Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter
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]
项目资助者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
论文分区二类/Q1
力学所作者排名1
RpAuthorWang, Yun-Jiang
引用统计
被引频次:15[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://dspace.imech.ac.cn/handle/311007/81641
专题非线性力学国家重点实验室
作者单位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 100049, Peoples R China;
3.Univ Calif Irvine, Dept Mech & Aerosp Engn, Irvine, CA 92697 USA;
4.Univ Calif Irvine, Dept Mat Sci & Engn, Irvine, CA 92697 USA
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.Rp_Au:Wang, Yun-Jiang
APA Han D,Wei D,Cao PH,Wang YJ,&Dai LH.(2020).Statistical complexity of potential energy landscape as a dynamic signature of the glass transition.PHYSICAL REVIEW B,101(6),14.
MLA Han D,et al."Statistical complexity of potential energy landscape as a dynamic signature of the glass transition".PHYSICAL REVIEW B 101.6(2020):14.
条目包含的文件 下载所有文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
Jp2020022A.pdf(1522KB)期刊论文出版稿开放获取CC BY-NC-SA浏览 下载
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
Lanfanshu学术
Lanfanshu学术中相似的文章
[Han D(韩懂)]的文章
[Wei D(魏丹)]的文章
[Cao PH]的文章
百度学术
百度学术中相似的文章
[Han D(韩懂)]的文章
[Wei D(魏丹)]的文章
[Cao PH]的文章
必应学术
必应学术中相似的文章
[Han D(韩懂)]的文章
[Wei D(魏丹)]的文章
[Cao PH]的文章
相关权益政策
暂无数据
收藏/分享
文件名: Jp2020022A.pdf
格式: Adobe PDF
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。