Thermal stability and spontaneous breakdown of free-standing metal nanowires

The present study also manifests an unexpected substantial increase of the nanowire lifetime with diminishing the strength of the atomic interactions between the nanowire atoms. The simulation data reveal three energy regions where a large oscillatory variation of nanowire lifetime is realized. The first region of strong atomic interactions is characterized by tight nanowire rigidity and short lifetime. The next, second region in the consecutive step-down of the attractive interatomic force is characterized by generation of wave-shaped morphology of the atomic chain, enhanced flexibility and dramatic increase of nanowire lifetime. In the last, third region, further weakening of the interactions returns the nanowire again to unstable, short-lifetime state. The observed phenomenon is considered as a “stick-like” to “polymer-like” transition in the nanowire atomic structure as a result of interaction energy variation. The enhanced flexibility reduces the nanowire free energy since it favors and facilitates the rate of entropy propagation in the atomic chain structure. The observed phenomenon opens a way for a new type atomic scale control on the thermal stability of both free-standing nanowire and nanowire on crystalline substrate. The present study also extends the validity of the three-step breakdown mechanism of nanowire on crystalline substrate to the specific case of thermally activated free-standing nanowire rupture not affected by any external forces.