Investigation on the most probable breaking behaviors of copper nanowires with the dependence of temperature

The deformation and breaking behaviors of metallic nanowires have raised concerns owing to their applied reliability in a nanoelectromechanical system. In this paper, molecular dynamics simulations are used to study the deformation and breaking properties of the [1 0 0] oriented single-crystal copper nanowires subjected to uniaxial tension at different temperatures. With a dependence of temperature, statistical samples identify a most probable breaking position of the nanowire, and the “most probable” feature reveals that the breaking behavior is correlated with nanoscale compression wave propagation at different temperatures. Macro-breaking position distributions confirm the influence of temperature on micro-atomic fluctuation during the symmetric stretching of the nanowires.

► The breaking behavior of metallic nanowires are various among the samples.
► Statistical feature identifies a most probable breaking position (MPBP).
► MPBP is correlated with the compression wave propagation.
► Breaking position distribution reveals the influence atomic fluctuation during the nanostretching.