Rate-dependent energy release mechanism of gold nanowires under elongation

J Am Chem Soc. 2008 Dec 31;130(52):17907-12. doi: 10.1021/ja806319g.

Abstract

The mechanism of the formation of different junction structures of gold nanowires under stretching has been studied by comprehensive molecular dynamics (MD) simulations using the second-moment approximation of the tight-binding (TB-SMA) potential. The simulations (540 MD runs in total) reveal that there is an inherent rate-dependent energy release law that unifies the effects of the system size, the temperature, and elongation rate on the dynamic elongations of gold nanowires.