Where, and how, does a nanowire break?

Using molecular dynamics (MD) simulation, we studied the structural transformation and breaking mechanism of a single crystalline copper nanowire under continuous strain. At a certain strain rate, an ensemble of relaxed initial states of the nanowire can preferentially go through one or more paths of deformation. In each deformation path, disordered atoms can be generated at the specific positions of the nanowire, where necking and breaking take place afterward. Such a breaking position is not predetermined; multiple initial states lead to a strain-rate-dependent, statistical distribution of breaking positions.