Atomistic Exploration of Deformation Properties of Copper Nanowires with Pre-Existing Defects
H.F. Zhan, Y.T. Gu1
CMES-Computer Modeling in Engineering & Sciences, Vol.80, No.1, pp. 23-56, 2011, DOI:10.3970/cmes.2011.080.023
Abstract Based on the embedded atom method (EAM) and molecular dynamics (MD) method, in this paper, the tensile deformation properties of Cu nanowires (NWs) with different pre-existing defects, including single surface defects, surface bi-defects and single internal defects, are systematically studied. In-depth deformation mechanisms of NWs with pre-existing defects are also explored. It is found that Young's modulus is insensitive to different pre-existing defects, but yield strength shows an obvious decrease. Defects are observed influencing greatly on NWs' tensile deformation mechanisms, and playing a role of dislocation sources. Besides of the traditional deformation process dominated by More >
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