标题:A structural signature of the breakdown of the Stokes-Einstein relation in metallic liquids
作者:Pan, Shao-Peng; Feng, Shi-Dong; Qiao, Jun-Wei; Niu, Xiao-Feng; Wang, Wei-Min; Qin, Jing-Yu
作者机构:[Pan, Shao-Peng; Qiao, Jun-Wei; Niu, Xiao-Feng] Taiyuan Univ Technol, Coll Mat Sci & Engn, Taiyuan 030024, Shanxi, Peoples R China.; [Pan, Shao-Peng 更多
通讯作者:Pan, SP;Pan, SP
通讯作者地址:[Pan, SP]Taiyuan Univ Technol, Coll Mat Sci & Engn, Taiyuan 030024, Shanxi, Peoples R China;[Pan, SP]Taiyuan Univ Technol, Shanxi Key Lab Adv Magnesiu 更多
来源:PHYSICAL CHEMISTRY CHEMICAL PHYSICS
出版年:2017
卷:19
期:33
页码:22094-22098
DOI:10.1039/c7cp03475j
摘要:The breakdown of the Stokes-Einstein relation (SER) in three model metallic liquids is investigated via molecular dynamics simulations. It is found that the breakdown of SER is closely correlated with the clustering behavior of well-packed atoms. When the SER breaks down, many cluster properties have almost the same value in these metallic liquids. At the breakdown temperature of SER, the temperature dependence of the number of clusters begins to deviate from a linear increase and the average number of well-packed atoms in the clusters reaches about 2, which indicates an increase in structure heterogeneity. Moreover, the size of the largest cluster shows a direct correlation with the SER. Therefore, our study provides a possible structural origin for the breakdown of SER in metallic liquids.
收录类别:SCOPUS;SCIE
WOS核心被引频次:1
Scopus被引频次:1
资源类型:期刊论文
原文链接:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85028431520&doi=10.1039%2fc7cp03475j&partnerID=40&md5=0d4bf3fcac5e6f81aa48002c5c57f74a
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