Next Article in Journal
Application of Chebyshev Approximation in the Process of Variational Iteration Method for Solving Differentialalgebraic Equations
Previous Article in Journal
On the Coupling of Auxiliary Parameter, Adomian's Polynomials and Correction Functional
Article Menu

Article Versions

Export Article

Mathematical and Computational Applications is published by MDPI from Volume 21 Issue 1 (2016). Articles in this Issue were published by another publisher in Open Access under a CC-BY (or CC-BY-NC-ND) licence. Articles are hosted by MDPI on mdpi.com as a courtesy and upon agreement with the previous journal publisher.
Open AccessArticle
Math. Comput. Appl. 1999, 4(1), 75-81; https://doi.org/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
PDF [2405 KB, uploaded 1 April 2016]

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).
SciFeed

Share & Cite This Article

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.

Show more citation formats Show less citations formats

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Math. Comput. Appl. EISSN 2297-8747 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top