Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network

doi:10.1016/j.commatsci.2019.109151

CORC > 力学研究所 > 中国科学院力学研究所 > 非线性力学国家重点实验室

	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)
刊名	COMPUTATIONAL MATERIALS SCIENCE
	2019-12-01
卷号	170 页码:UNSP 109151
关键词	Interface energy Interface slip Dislocation network Atomistic simulation
ISSN号	0927-0256
DOI	10.1016/j.commatsci.2019.109151
英文摘要	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.
分类号	二类
WOS关键词	MOLECULAR-DYNAMICS SIMULATIONS ; METAL-CERAMIC ADHESION ; MECHANICAL-BEHAVIOR ; PAIR POTENTIALS ; 1ST PRINCIPLES ; ENERGY ; DEFORMATION ; PLASTICITY ; MORPHOLOGY ; STRENGTH
WOS研究方向	Materials Science, Multidisciplinary
语种	英语
WOS记录号	WOS:000498062100010
资助机构	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]
其他责任者	Liang, LH (reprint author) ; Wei, YG (reprint author)
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/80789]
专题	力学研究所_非线性力学国家重点实验室
作者单位	1.[Fu, X. Q.] Univ Chinese Acad Sci, Sch Engn Sci, Beijing 101408, Peoples R China 2.[Wei, Y. G.] Peking Univ, Coll Engn, Beijing 100871, Peoples R China 3.[Liang, L. H.] Beijing Univ Chem Technol, Coll Mech & Elect Engn, Beijing 100029, Peoples R China 4.[Fu, X. Q.] Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China
推荐引用方式 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.