Plasticity-mediated collapse and recrystallization in hollow copper nanowires: a molecular dynamics simulation

Abstract

SummaryWe study the thermal stability of hollow copper nanowires using molecular dynamics simulation. We find that the plasticity-mediated structural evolution leads to transformation of the initial hollow structure to a solid wire. The process involves three distinct stages, namely, collapse, recrystallization and slow recovery. We calculate the time scales associated with different stages of the evolution process. Our findings suggest a plasticity-mediated mechanism of collapse and recrystallization. This contradicts the prevailing notion of diffusion driven transport of vacancies from the interior to outer surface being responsible for collapse, which would involve much longer time scales as compared to the plasticity-based mechanism.

Thermal Stability and Mechanical Properties of Hollow Si Nanowires from Atomic Modeling Combined with a Machine-Learning Prediction for Application as Li-Ion Battery Anodes

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