A molecular dynamics study of the tensile behaviour of ultrathin gold nanowires

摘要

A molecular dynamics simulation of ultrathin gold nanowires for tensile behaviour has been carried out. Ultrathin nanowires, unlike the bulk FCC structure, have a multi-shell helical structure. This work compares the mechanical properties of the 7-1 multi-shell helical structure with those of the FCC structure. The results reveal that the temperature and the strain rate influence the yielding stress. One atom chain was detected before the nanowire broke when the temperature was near absolute zero. At room temperature, severe interaction between atoms caused successive yielding and a cluster of three atoms in cross-section was formed before the nanowire broke.