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Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network
Fu XQ(付雪琼); Liang LH(梁立红); Wei YG(魏悦广)
Source PublicationCOMPUTATIONAL MATERIALS SCIENCE
2019-12-01
Volume170Pages:UNSP 109151
ISSN0927-0256
AbstractMetal/ceramic interfaces have broad applications and misfit dislocation network (MDN) is a prominent feature of the equilibrium metal/ceramic interfaces. As one main failure mode, interface shear failure is strongly affected by the motion of MDN. In this work, we investigate the equilibrium interface structure and shear failure of Ag/MgO interface via atomistic simulation method. Periodically distributed in-plane strain field caused by MDN and severe strain concentration at dislocation node regions are found by strain analysis. During interface shearing, these dislocation nodes act as strong pinning points to the gliding motion of MDN, which leads to bending of dislocation lines. Besides, energy analysis shows the interface shear stress is largely dependent on the variation of misfit dislocation energy. To understand interface shear failure under more complex conditions, we study the effect of model thickness and shear direction further. Due to transformation of nodal structure, the shear strength of thick model eventually decreases by almost a quarter; shear failure along the direction of Burgers vector is found to be energetically favored, with the lowest interface shear strength. This work reveals the crucial role of MDN in interface shear process, and the theoretical understanding gives some hints to metal/ceramic interface design.
KeywordInterface energy Interface slip Dislocation network Atomistic simulation
DOI10.1016/j.commatsci.2019.109151
Indexed BySCI ; EI
Language英语
WOS IDWOS:000498062100010
WOS KeywordMOLECULAR-DYNAMICS SIMULATIONS ; METAL-CERAMIC ADHESION ; MECHANICAL-BEHAVIOR ; PAIR POTENTIALS ; 1ST PRINCIPLES ; ENERGY ; DEFORMATION ; PLASTICITY ; MORPHOLOGY ; STRENGTH
WOS Research AreaMaterials Science, Multidisciplinary
WOS SubjectMaterials Science
Funding OrganizationNational Natural Science Foundation of ChinaNational Natural Science Foundation of China [11672296, 91860102, 11432014, 11672301, 11890681] ; Strategic Priority Research Program of the Chinese Academy of SciencesChinese Academy of Sciences [XDB22040501]
Classification二类
Ranking1
ContributorLiang, LH (reprint author) ; Wei, YG (reprint author)
Citation statistics
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/80789
Collection非线性力学国家重点实验室
Affiliation1.[Fu, X. Q.] Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China
2.[Liang, L. H.] Beijing Univ Chem Technol, Coll Mech & Elect Engn, Beijing 100029, Peoples R China
3.[Wei, Y. G.] Peking Univ, Coll Engn, Beijing 100871, Peoples R China
4.[Fu, X. Q.] Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China
Recommended Citation
GB/T 7714
Fu XQ,Liang LH,Wei YG. Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network[J]. COMPUTATIONAL MATERIALS SCIENCE,2019,170:UNSP 109151.
APA 付雪琼,梁立红,&魏悦广.(2019).Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network.COMPUTATIONAL MATERIALS SCIENCE,170,UNSP 109151.
MLA 付雪琼,et al."Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network".COMPUTATIONAL MATERIALS SCIENCE 170(2019):UNSP 109151.
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