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Simultaneous melting of shell and core atoms, a molecular dynamics study of lithium-copper nanoalloys

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成果类型:
期刊论文
作者:
Tang, Jianfeng;Yang, Jianyu*
通讯作者:
Yang, Jianyu
作者机构:
[Tang, Jianfeng] Hunan Agr Univ, Dept Appl Phys, Changsha 410128, Hunan, Peoples R China.
[Yang, Jianyu] Hunan Inst Engn, Xiangtan 411104, Peoples R China.
通讯机构:
[Yang, Jianyu] H
Hunan Inst Engn, Xiangtan 411104, Peoples R China.
语种:
英文
关键词:
Energy storage;Melting;Modeling and simulation;Molecular dynamics;Nanoalloy;Solid–liquid interface
期刊:
Journal of Nanoparticle Research
ISSN:
1388-0764
年:
2015
卷:
17
期:
7
页码:
1-12
基金类别:
National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [50971058, 51171064]; Hunan Provincial Natural Science Foundation of ChinaNatural Science Foundation of Hunan Province [12JJ3043]
机构署名:
本校为第一机构
院系归属:
理学院
摘要:
Melting of nanoalloys originates from the alloy surface and gradually propagates into the interior region. The thermal stability of Li cores and Cu shells nanoalloy with size of 3.5 nm is studied through molecular dynamics and embedded atom method with the use of potential energy, Lindemann index, and radial distribution function. Results show that the shell and core Li atoms are melted in two steps: first, some Li atoms in the core migrate to the nanoalloy surface and maintain a typical solid state despite that the system temperature is higher...

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