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Fragmentation of water clusters: Molecular-dynamics simulation study |
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| Authors: | Ş. Erkoç H. Kökten Z. Güvenç |
| Affiliation: | Department of Physics, Middle East Technical University, 06531 Ankara, Turkey, TR Department of Computer Engineering, ?ankaya University, 06530 Ankara, Turkey, TR |
| Abstract: | The fragmentation of water clusters, [(H 2 O)n;n = 2-8], have been investigated by using molecular-dynamics simulation method. In the simulations a polarizable-dissociable potential energy function for water has been used. Particular attention has bee paid to investigate the effect of structural properties and cluster size on the fragmentation. Received 27 April 2000 and Received in final form 6 October 2000 |
| Keywords: | PACS. 36.40.Qv Stability and fragmentation of clusters – 61.46.+w Clusters, nanoparticles, and nanocrystalline materials – 31.15.Qg Molecular dynamics and other numerical methods |
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