Angular-momentum-driven chaos in small clusters

The effects of the rotational motion on the chaotic behavior of triatomic Lennard-Jones clusters are studied. A set of initial momentum distributions with tunable parameters is chosen to correspond to various rigid-body rotations around symmetry axes of the cluster. By smoothly varying the direction of the initial kicks given to the cluster, periodic transitions between regular and chaotic regimes are obtained. A study of initial conditions leading up to such transitions shows that the major factor that determines the extent of the chaotic behavior is the initial partitioning of the kinetic energy between the rotational and vibrational motion. From the analysis of the time evolution of various properties it is concluded that the basic role of this initial partitioning is to control the energy transfer between the kinetic and the potential energy.