Effect of potential energy topography on dynamics and phase behaviour of clusters

DANIEL T. MAINZ
1996 Molecular Physics  
Clusters of seven identical particles, bound by pairwise Morse potentials, simulated at constant energy, exhibit zones of dynamic coexistence of solid-like and liquid-like forms if the range parameter q !¯b r ! of the potential is large, corresponding to a short-range pair interaction. However no such phase coexistence occurs for longer-range Morse potentials, according to the criterion of bimodality (or unimodality, for no coexistence) of the distribution of shorttime average vibrational
more » ... e vibrational temperatures. The diOE erence is due to the smoother topography of the multidimensional potential surface generated by the longerrange pair potentials, particularly in the higher-energy reaches of that surface.
doi:10.1080/00268979650026244 fatcat:exqz7qhpibhe3mg3zpldu2mxsq