Comparison of embedded atom method potentials for small aluminium cluster simulations
| dc.contributor.author | Budi, A. | |
| dc.contributor.author | Henry, D. | |
| dc.contributor.author | Gale, Julian | |
| dc.contributor.author | Yarovsky, I. | |
| dc.date.accessioned | 2017-01-30T10:47:54Z | |
| dc.date.available | 2017-01-30T10:47:54Z | |
| dc.date.created | 2009-04-05T20:02:27Z | |
| dc.date.issued | 2009 | |
| dc.identifier.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. | |
| dc.identifier.uri | http://hdl.handle.net/20.500.11937/5689 | |
| dc.identifier.doi | 10.1088/0953-8984/21/14/144206 | |
| dc.description.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. | |
| dc.publisher | IOP: Institute of Physics Publishing Ltd | |
| dc.title | Comparison of embedded atom method potentials for small aluminium cluster simulations | |
| dc.type | Journal Article | |
| dcterms.source.volume | 21 | |
| dcterms.source.startPage | 1 | |
| dcterms.source.endPage | 12 | |
| dcterms.source.issn | 09538984 | |
| dcterms.source.title | Journal of Physics: Condensed Matter | |
| curtin.note |
A link to the journal's website is available at: | |
| curtin.department | Nanochemistry Research Institute (Research Institute) | |
| curtin.accessStatus | Open access | |
| curtin.faculty | School of Science | |
| curtin.faculty | Science and Engineering |