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 Publication | COMPUTATIONAL MATERIALS SCIENCE |
2019-12-01 | |
Volume | 170Pages:UNSP 109151 |
ISSN | 0927-0256 |
Abstract | Metal/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. |
Keyword | Interface energy Interface slip Dislocation network Atomistic simulation |
DOI | 10.1016/j.commatsci.2019.109151 |
Indexed By | SCI ; EI |
Language | 英语 |
WOS ID | WOS:000498062100010 |
WOS Keyword | MOLECULAR-DYNAMICS SIMULATIONS ; METAL-CERAMIC ADHESION ; MECHANICAL-BEHAVIOR ; PAIR POTENTIALS ; 1ST PRINCIPLES ; ENERGY ; DEFORMATION ; PLASTICITY ; MORPHOLOGY ; STRENGTH |
WOS Research Area | Materials Science, Multidisciplinary |
WOS Subject | Materials Science |
Funding Organization | National 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 |
Ranking | 1 |
Contributor | Liang, LH (reprint author) ; Wei, YG (reprint author) |
Citation statistics | |
Document Type | 期刊论文 |
Identifier | http://dspace.imech.ac.cn/handle/311007/80789 |
Collection | 非线性力学国家重点实验室 |
Affiliation | 1.[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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Jp2019461.pdf(3150KB) | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Application Full Text |
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