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The atomistic simulation study of Ag/MgO interface tension fracture
You XM(由希孟); Liang LH(梁立红); Wei YG(魏悦广); Liang, LH; Wei, YG
2018-02-01
发表期刊COMPUTATIONAL MATERIALS SCIENCE
卷号142页码:277-284
ISSN0927-0256
摘要

Metal/ceramic interfaces have wide applications and the interface fracture plays an important role in determining mechanical behaviors of related structures. The cohesive zone model is widely used to modelling the crack opening and extension, especially used to modelling the interface crack. Although this model is widely used, it is a macroscopic phenomenological model, and its atomistic scale mechanism attracts great attention. In this paper an interface atomistic model of Ag/MgO is used to study the microscopic interface opening mode and some interesting results are discovered. By considering all atomic interaction potentials related to the interfacial structure in the molecular mechanics calculation, the interface tension stress-displacement curves for several interface structures with different sizes are simulated, and fracture properties upon displacing Ag and MgO adjacent to the interface are revealed based on the simulation results and by developing a series model on interface fracture properties. The results indicate that the interface fracture strength is independent of the size of interface structures for ideal interfaces, the total tension displacement of interface structures increases and the fracture appears catastrophic characteristic with increasing unit thickness, which is explained well by the series model. Furthermore, the interface separation behaviors of interfaces with the atomic vacancy and dislocations are simulated, the study indicates that the interface strength decreases for the interfaces with defects, and the defects decrease the catastrophic tendency. (C) 2017 Elsevier B. V. All rights reserved.

关键词Interface Fracture Stress Displacement Molecular Simulation
DOI10.1016/j.commatsci.2017.10.029
收录类别SCI ; EI
语种英语
WOS记录号WOS:000414875300032
关键词[WOS]MISFIT DISLOCATION ; CRACK-GROWTH ; SEPARATION
WOS研究方向Materials Science
WOS类目Materials Science, Multidisciplinary
项目资助者NSFC(11372318 ; Chinese Academy of Sciences(XDB22040501) ; 11672296 ; 11432014 ; 11672301)
课题组名称LNM新型材料及结构的多尺度力学
论文分区二类
力学所作者排名1
引用统计
被引频次:1[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/311007/71936
专题非线性力学国家重点实验室
通讯作者Liang, LH; Wei, YG
推荐引用方式
GB/T 7714
You XM,Liang LH,Wei YG,et al. The atomistic simulation study of Ag/MgO interface tension fracture[J]. COMPUTATIONAL MATERIALS SCIENCE,2018,142:277-284.
APA You XM,Liang LH,Wei YG,Liang, LH,&Wei, YG.(2018).The atomistic simulation study of Ag/MgO interface tension fracture.COMPUTATIONAL MATERIALS SCIENCE,142,277-284.
MLA You XM,et al."The atomistic simulation study of Ag/MgO interface tension fracture".COMPUTATIONAL MATERIALS SCIENCE 142(2018):277-284.
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