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Comparison of embedded atom method potentials for small aluminium cluster simulations

Authors :
Budi, A.
Henry, D.J.
Gale, J.D
Yarovsky, I.
Budi, A.
Henry, D.J.
Gale, J.D
Yarovsky, I.
Source :
Budi, A., Henry, D.J. <
Publication Year :
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

Database :
OAIster
Journal :
Budi, A., Henry, D.J. <
Notes :
English
Publication Type :
Electronic Resource
Accession number :
edsoai.ocn839868621
Document Type :
Electronic Resource