Dynamic behaviour of multi-shell 14-7-1 gold nanowire under different axial tensile strains

The dynamic behaviour of a multi-shell 14-7-1 Au nanowire is investigated and compared with that of a 7-1 Au nanowire under various tensile strains. The molecular dynamics (MD) simulations performed in this study compute the frequency shift and change in intensity of the characteristic frequency peaks of the phonon density of states of the global and substructure atoms in the radial and axial directions. The results show that the frequency shift and intensity change of the characteristic frequency peaks in the strained 14-7-1 nanowire are caused by a change in the radial atomic coupling and a higher degree of structural anisotropy due to the applied strain.