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    Comparison of embedded atom method potentials for small aluminium cluster simulations

    118449_Comparison%20of%20embedded%20atom%20method.pdf (470.2Kb)
    Access Status
    Open access
    Authors
    Budi, A.
    Henry, D.
    Gale, Julian
    Yarovsky, I.
    Date
    2009
    Type
    Journal Article
    
    Metadata
    Show full item record
    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
    DOI
    10.1088/0953-8984/21/14/144206
    ISSN
    09538984
    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

    URI
    http://hdl.handle.net/20.500.11937/5689
    Collection
    • Curtin Research Publications
    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.

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