Journal of Jilin University Science Edition
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CHEN Nianke, LI Xianbin
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To explore the fracture mechanism of metal nanowires, a fracture process of Cu nanowire upon stretch was theoretically studied by molecular dynamic (MD) simulations based on embeddedatom method (EAM) potential. The relationship between stress, strain and dislocation before fracture as well as the morp hology evolution after fracture was analyzed. The results demonstrate that the tips on the two ends of the nanowire can stuck the dislocation motion. Then the stacking fault by the first partial dislocation could be annihilated by a full dislocation formed by another partial dislocation. This process can thus enhance the fracture strength. The sharp structure after fracture can retract and become obtuse spontaneously. The atomic scale analysis of the morphology change demonstrates that the fracture is a process of eliminating the high energy structures, such as isolated atoms, twin boundary and surface kink. The surface of the fracture finally emerge many (111) facets with lower energies. Therefore the physical mechanism is attributed to the rule of energy minimization.
Key words: Cu nanowire, material fracture, dislocation motion; micro-morphology
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CHEN Nianke, LI Xianbin. Fracture of Cu Nanowire upon Stretch by AtomicScale Molecular Dynamic Simulation[J].Journal of Jilin University Science Edition, 2014, 52(05): 1039-1043.
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http://xuebao.jlu.edu.cn/lxb/EN/Y2014/V52/I05/1039
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