Comparison of embedded atom method potentials for small aluminium cluster simulations
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), wh...
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
IOP: Institute of Physics Publishing Ltd
2009
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| Online Access: | http://hdl.handle.net/20.500.11937/5689 |
| _version_ | 1848744867095642112 |
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| author | Budi, A. Henry, D. Gale, Julian Yarovsky, I. |
| author_facet | Budi, A. Henry, D. Gale, Julian Yarovsky, I. |
| author_sort | Budi, A. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T06:08:17Z |
| format | Journal Article |
| id | curtin-20.500.11937-5689 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T06:08:17Z |
| publishDate | 2009 |
| publisher | IOP: Institute of Physics Publishing Ltd |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-56892018-12-14T00:46:05Z Comparison of embedded atom method potentials for small aluminium cluster simulations Budi, A. Henry, D. Gale, Julian Yarovsky, I. 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. 2009 Journal Article http://hdl.handle.net/20.500.11937/5689 10.1088/0953-8984/21/14/144206 IOP: Institute of Physics Publishing Ltd fulltext |
| spellingShingle | Budi, A. Henry, D. Gale, Julian Yarovsky, I. Comparison of embedded atom method potentials for small aluminium cluster simulations |
| title | Comparison of embedded atom method potentials for small aluminium cluster simulations |
| title_full | Comparison of embedded atom method potentials for small aluminium cluster simulations |
| title_fullStr | Comparison of embedded atom method potentials for small aluminium cluster simulations |
| title_full_unstemmed | Comparison of embedded atom method potentials for small aluminium cluster simulations |
| title_short | Comparison of embedded atom method potentials for small aluminium cluster simulations |
| title_sort | comparison of embedded atom method potentials for small aluminium cluster simulations |
| url | http://hdl.handle.net/20.500.11937/5689 |