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Comparison of embedded atom method potentials for small aluminium cluster simulations

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Open access
Authors
Budi, A.
Henry, D.
Gale, Julian
Yarovsky, I.
Date
2009
Type
Journal Article

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Citation
Budi, Akin and Henry, David and Gale, Julian and Yarovsky, Irene. 2009. Comparison of embedded atom method potentials for small aluminium cluster simulations. Journal of Physics: Condensed Matter. 21: pp. 1-12.
Source Title
Journal of Physics: Condensed Matter
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ISSN
Faculty
School of Science
Science and Engineering
School
Nanochemistry Research Institute (Research Institute)
Remarks

A link to the journal's website is available at: http://www.iop.org/EJ/abstract/0953-8984/21/14/144206

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Abstract

In this paper, we present a comparison of the performance of a series of embedded atom methodpotentials for the evaluation of bulk and small aluminium cluster geometries and relativeenergies, against benchmark density functional theory calculations. In general, the non-pairwisepotential-B (NP-B), which was parametrized against Al cluster data, performs the best.