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Simulation of Mechanical Behavior and Deformation Mechanism of Al Nanowires Along Different Crystal Orientations
Zhaoyang HOU, Yuan NIU, Qixin XIAO, Zhen WANG, Qingtian DENG
Chinese Journal of Computational Physics    2022, 39 (3): 341-351.   DOI: 10.19596/j.cnki.1001-246x.8433
Abstract290)   HTML14)    PDF (14775KB)(1184)      

Mechanical behavior and deformation mechanism of Al nanowire along different crystal orientations are investigated with molecular dynamics simulation. They are compared with those of FCC metal nanowires with lower fault energy such as Ni, Cu, Au and Ag under same computational conditions. It is found that the elastic module of Al nanowire along different crystal orientations displays a relationship of E[111] > E[110] > E[100], which is generally true in FCC nanowires. The yield stress of Al nanowire along different crystal orientations displays a relationship of σy[100] > σy[111] > σy[110], which is not generally true in FCC nanowires. Furthermore, deformation mechanism of Al nanowire along crystal orientations is clarified according to the evolution of microstructures. It is compared with that of nanowires of Ni, Cu, Au and Ag. It was found that it is difficult to predict deformation mechanism accurately with Schmid factor and stacking fault energy for Al nanowire with high fault energy in small scales.

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