Dislocation stimulus dependence of atomic collective vibration in an icosahedral cluster

The dynamics of the monopole collective vibration of a Leonard-Jones 147-atom cluster has been examined using molecular dynamics simulation. It is found that the process of energy release of the vibrating cluster depends on the extent of the initial atomic dislocation stimulus. A relatively larger-scale perturbation will cause a faster decay of the vibration magnitude despite the higher potential and kinetic energy compared to the vibration stimulated by a small-scale dislocation stimulus. Due to the compression by the outermost shells, the potential energy of atoms in the inner shells increases while that of the outer shells decreases during the process of energy release until equilibrium state. Findings provide hitherto insight into the dynamics of energy releases of an atomic cluster induced by a sudden dislocation stimulus.