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A chemo mechanical coupling model of oxidation and interlayer cracking of copper nanowires

文献类型：期刊论文

作者Gong, Yulong4; Yan, Xin1; Wen JC(温济慈); Meng, Qinghua; Li, Ang2; Shi, Xinghua4
刊名JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
出版日期2023-05
卷号174页码:105259
ISSN号0022-5096
关键词Chemo mechanical coupling Interlayer cracking ReaxFF Energy release rate Oxidation Copper nanowires
DOI10.1016/j.jmps.2023.105259
英文摘要Copper nanowires have received extensive attention for their potential applications in optics, electricity and catalysis, while oxidation erosion has become the biggest obstacle to their widespread application. Here, we present a chemo mechanical coupling model to investigate the interlayer cracking behaviors of nanowires during oxidation. In contrast to existing chemomechanical models, the present model emphasizes that the process of oxygen entry into copper nanowires is chemical reaction mediated layer by layer replacement rather than vacancymediated diffusion, which means the oxygen ions in the outer layer would not cross over the oxygen atoms in the inner layer during their entry. These conclusions are validated by molecular dynamics simulations. We then discuss the effect of the chemical reaction induced free energy on the stress state of the nanowire during the reaction. Finally, a self developed finite difference procedure is used to solve the control equations and the fracture location is determined according to the energy release rate analysis. We find the fracture of nanowires is closely dependent on the size of nanowire, the reaction rate and the oxygen concentration. This work deepens our understanding of the mechanism of chemo mechanical coupling and fracture behavior of metals due to oxidation, thus has implications in other areas involving chemo mechanical coupling.
分类号一类/力学重要期刊
WOS研究方向Materials Science, Multidisciplinary ; Mechanics ; Physics, Condensed Matter
语种英语
WOS记录号WOS:000954726900001
资助机构Strategic Priority Research Program of Chinese Academy of Sciences [XDB36000000] ; National Natural Science Foundation of China [12072082] ; National Natural Science Foundation for Distinguished Young Scholars of China [12125202]
其他责任者Shi, XH (corresponding author), Chinese Acad Sci, CAS Ctr Excellence Nanosci, Natl Ctr Nanosci & Technol, Lab Theoret & Computat Nanosci, Beijing 100190, Peoples R China. ; Shi, XH (corresponding author), Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China.
源URL[http://dspace.imech.ac.cn/handle/311007/91814]  
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 Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
2.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China
3.Beijing Univ Technol, Beijing Key Lab Microstruct & Properties Adv Mat, Beijing 100124, Peoples R China
4.Chinese Acad Sci, CAS Ctr Excellence Nanosci, Natl Ctr Nanosci & Technol, Lab Theoret & Computat Nanosci, Beijing 100190, Peoples R China
5.Beihang Univ, Sch Mech Engn & Automat, Beijing 100091, Peoples R China
推荐引用方式
GB/T 7714		 Gong, Yulong,Yan, Xin,Wen JC,et al. A chemo mechanical coupling model of oxidation and interlayer cracking of copper nanowires[J]. JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS,2023,174:105259.
APA Gong, Yulong,Yan, Xin,温济慈,Meng, Qinghua,Li, Ang,&Shi, Xinghua.(2023).A chemo mechanical coupling model of oxidation and interlayer cracking of copper nanowires.JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS,174,105259.
MLA Gong, Yulong,et al."A chemo mechanical coupling model of oxidation and interlayer cracking of copper nanowires".JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS 174(2023):105259.

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来源：力学研究所

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