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.
📌 3 Key Takeaways
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Objective & Hypothesis: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.
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Key Findings & Data: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.
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Conclusion & Impact: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.
🔬Design:Modeling & Simulation
📍Scope:Comprehensive Sample
⚙️Variables:Domain Parameters
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.
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Cite This Article
GÜVEN, M. H. (2000). Moleculer dynamics simulations of super heated $Ni_4$ cluster. Turkish Journal of Physics, Cilt: 24 - Sayı: 5, 607–615. https://ajindex.com/articles/378752
L.Lian, C.-X. Su, P.B. Armentrout, J.Chem.Phys., 96 (1992) 7542
C. Walther, St. Becker, G. Dietrich, H.-J.Kluge, M. Lindinger, K. Lützenkirchen, L. Scheikhard, J. Ziegler Z.Phys., D 38 (1996). 51
C.E. Roman, L. Garzon in Physics and Chemistry of Finite Systems:From Clusters to Crystals edited by P. Jena, S.N. Khanna, B.K.Rao, vol.1 (Kluwer Academic, Dortrecht,1992) p.459
M.J. Lopez, J.Jellinek Phys.Rev, A 50 (1994) 1445
X. Hu, C. Martens Z.Phys., D 29 (1994) 139
Ş. Katırcıoğlu, Ş. Erkoç Mol. Sim. 44 (1989) 247
W. Forst, Theory of Unimolecular Reactions (Academic, New York) 1973
Ş. Erkoç, Phys.Stat.Sol. (b) 152 (1989) 447
Ş. Erkoç, Phys.Rep. 278 (1997) 79
M.H. Güven, M. Eryürek, Phys.Stat.Sol (b) 213 (1999) 283
R. S. Berry, S. A. Rice, J. Ross, Physical Chemistry (John Wiley and Sons, NewYork) 1980.