Fragmentation of a Non-Rotating Ni19 Cluster: A Molecular Dynamics Study

Halil Avcı; Mehmet Çivi; Ziya B. Güvenç; Julius Jellinek

doi:10.3390/mca4020099

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Article

1 August 1999

Fragmentation of a Non-Rotating Ni19 Cluster: A Molecular Dynamics Study

and

Department of Physics, Gazi University, Beşevler 06500 Ankara, Turkey

Department of Computer Engineering, Çankaya University, Yülzüncüyil, Balgat 06530 Ankara Turkey

Chemistry Division, Argonne National Laboratory, Argonne IL 60439, USA

Authors to whom correspondence should be addressed.

Math. Comput. Appl.1999, 4(2), 99-106;https://doi.org/10.3390/mca4020099

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Abstract

Collisionless fragmentation of a non-rotating Ni₁₉ cluster is studied using constant-energy molecular dynamics computer simulations. The cluster is modelled by an embedded atom model (EAM) energy surface. Distribution of the channel-specific fragmentation probabilities, and global rate constants are computed and analyzed as functions of the internal energy of the cluster. The results are compared with those obtained using the RRK statistical approach, and also compared with the other multi-channel fragmentation work.

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