Bulg. J. Phys. vol.27 no.S1 (2000), pp. 110-114



Structures and Dynamics of Pd13 Clusters

M. Böyükata1,2, M. Karabacak1, S. Özçelik1, Z.B. Güvenç3,4, J. Jellinek5
1Department of Physics, Gazi Univ., 06500 Teknikokullar, Ankara, Türkiye
2Department of Physics, Celal Bayar Univ., 45000 Manisa, Türkiye
3Department of Computer Engineering, Çankaya Univ., 06530, Ankara, Türkiye
4Department of Chemistry, University of Massachusetts, Amherst MA 01003, USA
5Chemistry Division, Argonne National Laboratory, Argonne, IL 60439, USA
Abstract. Using Molecular Dynamics and thermal quenching simulations the stable geometrical structures and energies of Pd13 clusters are identified. The isomeric probability distribution of cluster is determined. The interaction between the cluster atoms is modeled by an Embedded-Atom Potential Surface. Isomer statistics is obtained from 10000 phase space coordinates generated along a high-energy trajectory (chosen energy value is high enough to melt the cluster) used as the initial configurations for thermal quenching technique. The isomer energy spectrum is determined and the probability of visiting the different stable isomers is computed. Results are compared with other similar studies.

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