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

doi:10.1016/j.jmps.2023.105259

IMECH-IR > 非线性力学国家重点实验室

	A chemo mechanical coupling model of oxidation and interlayer cracking of copper nanowires
	Gong, Yulong 1; Yan, Xin 2; Wen JC(温济慈); Meng, Qinghua ; Li, Ang 4; Shi, Xinghua1
发表期刊	JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
	2023-05
卷号	174 页码:105259
ISSN	0022-5096
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.
关键词	Chemo mechanical coupling Interlayer cracking ReaxFF Energy release rate Oxidation Copper nanowires
DOI	10.1016/j.jmps.2023.105259
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000954726900001
WOS研究方向	Materials Science, Multidisciplinary ; Mechanics ; Physics, Condensed Matter
WOS类目	Materials Science ; Mechanics ; Physics
项目资助者	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]
论文分区	一类/力学重要期刊
力学所作者排名	3
RpAuthor	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.
引用统计	被引频次：2[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/311007/91814
专题	非线性力学国家重点实验室
作者单位	1.Chinese Acad Sci, CAS Ctr Excellence Nanosci, Natl Ctr Nanosci & Technol, Lab Theoret & Computat Nanosci, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 3.Beihang Univ, Sch Mech Engn & Automat, Beijing 100091, Peoples R China 4.Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China 5.Beijing Univ Technol, Beijing Key Lab Microstruct & Properties Adv Mat, Beijing 100124, 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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