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TÜBİTAK

Turkish Journal of Physics

Journal

2000

Microcanonical molecular dynamics

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Full-Text Articles in Physical Sciences and Mathematics

Molecular Dynamics Simulations Of Super Heated Ni_4 Cluster, M. Haluk Güven Jan 2000

Molecular Dynamics Simulations Of Super Heated Ni_4 Cluster, M. Haluk Güven

Turkish Journal of Physics

The fragmentation mechanism of the super heated Ni4 cluster is studied by employing the microcanonical 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.