Bending properties of Ag nanowires with pre-existing surface defects AITranslate

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DOI：https://doi.org/10.1016/j.commatsci.2013.05.032

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Highlights • Bending deformation of the defected nanowire is reproduced. • The nonlinear elastic deformation agrees with the modified beam theory. • The nonlinear behavior and flexural rigidity are insensitive to defects. • Presence of defects will lead to an evident decrease to the yield strength. • Lomer–Cottrell lock thwarted attempts of early yielding of the nanowire. Materials used in the engineering always contain imperfections or defects which significantly affect their performances. Based on the large-scale molecular dynamics simulation and the Euler–Bernoulli beam theory, the influence from different pre-existing surface defects on the bending properties of Ag nanowires (NWs) is studied in this paper. It is found that the nonlinear-elastic deformation, as well as the flexural rigidity of the NW is insensitive to different surface defects for the studied defects in this paper. On the contrary, an evident decrease of the yield strength is observed due to the existence of defects. In-depth inspection of the deformation process reveals that, at the onset of plastic deformation, dislocation embryos initiate from the locations of surface defects, and the plastic deformation is dominated by the nucleation and propagation of partial dislocations under the considered temperature. Particularly, the generation of stair-rod partial dislocations and Lomer–Cottrell lock are normally observed for both perfect and defected NWs. The generation of these structures has thwarted attempts of the NW to an early yielding, which leads to the phenomenon that more defects does not necessarily mean a lower critical force.