Abstract
The breaking behaviors of the metallic nanowires have been studied with molecular dynamics simulations. The statistical analysis based on the simulation data has demonstrated that the breaking position and the fracture strain follow the specific distribution functions. The results show a Gaussian distribution feature for about 95% of all the samples in the breaking position and the fracture strain. The others without clear distribution feature can be attributed to the occasional events. Compared to the probability events, the occasional events are more worthy to be investigated due to the importance in the application of nanodevices. In the present study, an occasional event which breaking position is located at the nanowire center has been focused. A series of initial configurations have been established corresponding to the different stretching stages of the occasional event. With the nano-stretching simulations of 2400 samples in total, the variations of the distribution waves of the breaking position and the fracture strain have been detailed. For the sample in the yielding region, the distribution feature is very similar with that of the single crystal nanowire in spite of some initial dislocations generated in the system. For the sample in the early stage of the plastic deformation, most of the distribution features remain, but obvious shift of the distribution wave appears. For the sample in the middle stage of the plastic deformation, new distribution wave emerges close to the breaking position of the occasional event, demonstrating that the occasional event changes to the probability event. For the sample in the last stage of the plastic deformation, the original distribution vanishes, and a sharp distribution wave appears, indicating the occasional event changes to the certain event. The methodology proposed in the present study paves the way to evaluate the lifetime of the nanomaterials and nanodevices.
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