Moleculer dynamics simulations of super heated $Ni_4$ cluster

Özet

The fragmentation mechanism of the super heated Nİ4 cluster is studied by em­ploying the micro canonical molecular dynamics simulations and an empirical model potential. $Ni_4$ cluster is heated up above the bulk Ni evaporation point temperature and then classical trajectory analysis as well as RRK theory are used to calculate survival probability, evaporation rate, average kinetic energy release and dissociation energy.