Journal article

Oxide potentials from ab initio molecular dynamics: An assessment of their transferability

Abstract:: The potentials to transfer equally well between chemically similar systems, according to well-defined, physically motivated rules involving ion radii and polarizabilities were shown. These scaling rules allow one to transmute a potential for a given element in order to obtain a very reasonable first-order description of interactions in a different, related material. In addition, it was shown that the potentials to transfer equally well between chemically similar systems physically motivated rules involving ion radii and polarizabilities.

Publication status:: Published

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APA Style

Aguado, A., & Madden, P. (2003). Oxide potentials from ab initio molecular dynamics: An assessment of their transferability. JOURNAL OF CHEMICAL PHYSICS, 118(13), 5718–5728.

MLA Style

Aguado, A, and P Madden. “Oxide Potentials from Ab Initio Molecular Dynamics: An Assessment of Their Transferability.” JOURNAL OF CHEMICAL PHYSICS, vol. 118, no. 13, 2003, pp. 5718–28.

Chicago Style

Aguado, A, and P Madden. 2003. “Oxide Potentials from Ab Initio Molecular Dynamics: An Assessment of Their Transferability.” JOURNAL OF CHEMICAL PHYSICS 118 (13): 5718–28.
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Publisher copy:: 10.1063/1.1556073

Authors

+ Aguado, A More by this author

Role:: Author

+ Madden, P More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Materials
Role:: Author

Journal:: JOURNAL OF CHEMICAL PHYSICS More from this journal
Volume:: 118
Issue:: 13
Pages:: 5718-5728
Publication date:: 2003-04-01
DOI:: 10.1063/1.1556073
ISSN:: 0021-9606

Language:: English
Pubs id:: pubs:369771
UUID:: uuid:f6764c28-6194-4454-bbc6-71ef48c0efaa
Local pid:: pubs:369771
Source identifiers:: 369771
Deposit date:: 2013-11-16
ARK identifier:: ark:/29072/ora_f6764c2861944454bbc671ef48c0efaa

Terms of use

Copyright date:: 2003

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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