Journal article
Comparison of embedded atom method potentials for small aluminium cluster simulations
Journal of Physics: Condensed Matter, Vol.21(14), Article 144206
2009
Abstract
In this paper, we present a comparison of the performance of a series of embedded atom method potentials for the evaluation of bulk and small aluminium cluster geometries and relative energies, against benchmark density functional theory calculations. In general, the non-pairwise potential-B (NP-B), which was parametrized against Al cluster data, performs the best.
Details
- Title
- Comparison of embedded atom method potentials for small aluminium cluster simulations
- Authors/Creators
- A. Budi (Author/Creator)D.J. Henry (Author/Creator) - RMIT UniversityJ.D Gale (Author/Creator) - Curtin UniversityI. Yarovsky (Author/Creator) - RMIT University
- Publication Details
- Journal of Physics: Condensed Matter, Vol.21(14), Article 144206
- Publisher
- IOP Publishing Ltd.
- Identifiers
- 991005542078107891
- Copyright
- © 2009 IOP Publishing Ltd.
- Murdoch Affiliation
- Murdoch University
- Language
- English
- Resource Type
- Journal article
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InCites Highlights
These are selected metrics from InCites Benchmarking & Analytics tool, related to this output
- Collaboration types
- Domestic collaboration
- Citation topics
- 2 Chemistry
- 2.15 Physical Chemistry
- 2.15.647 Metal Clusters
- Web Of Science research areas
- Physics, Condensed Matter
- ESI research areas
- Physics