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Math. Comput. Appl. 1999, 4(1), 75-81; doi:10.3390/mca4010075

Structural Forms and Energies of Nin, n=12-14, Clusters

1
Department of Computer Engineering, Çnkaya University, 06530 Ankara, Turkey
2
Department of Mathematics, Bilkent University, 06530 Ankara, Turkey
3
Chemistry Division, Argonne National Laboratory, Argonne, IL 60439, USA
*
Authors to whom correspondence should be addressed.
Published: 1 April 1999
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Abstract

Equilibrium structural forms of the Nin, n=12-14, clusters, as defined by an embedded-atom potential, are obtained using molecular dynamics and thermal quenching simulations. The isomers (locally stable geometric forms) are distinguished from those stationary structures that correspond to saddle points of the potential energy surface. Isomer statistics are obtained using a large number of initial quenching configurations generated along high-energy trajectories (the energies are high enough to “melt” the clusters). Probabilities of sampling the basins of attraction of the different isomers are computed and the spectra of their energies are analyzed.
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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MDPI and ACS Style

Güvenç, Z.B.; Güvenç, D.; Jellinek, J. Structural Forms and Energies of Nin, n=12-14, Clusters. Math. Comput. Appl. 1999, 4, 75-81.

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