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Atom-based bond-order potentials for modelling mechanical properties of metals

Abstract:

Physical and mechanical properties of crystalline materials are commonly controlled by the atomic structure and atomic level behaviour of crystal defects. Both experimental observations and theoretical treatments of such complex atomic scale phenomena and structures are rather limited and it is the atomic level computer modelling that is the most promising approach in such research. The principal precursor of such calculations is a reliable description of atomic interactions. Rigorous density...

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Publication status:
Published
Peer review status:
Peer reviewed

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Institution:
Gifu University, Yanagido, Japan
Department:
Department of Mathematical and Design Engineering,Faculty of Engineering
Role:
Author
More by this author
Institution:
EURATOM/UKAEA Fusion Association, Abingdon, UK
Role:
Author
More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author
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Institution:
University of Pennsylvania, Philadelphia, PA, USA
Department:
Department of Materials Science and Engineering
Role:
Author
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Funding agency for:
Nguyen-Manh, D
US Department of Energy More from this funder
Publisher:
Elsevier Publisher's website
Journal:
Progress in Materials Science Journal website
Volume:
52
Issue:
2-3
Pages:
154-195
Publication date:
2006-11-14
DOI:
ISSN:
0079-6425
Language:
English
Subjects:
UUID:
uuid:1ec7c7d2-33c9-4b72-90df-3c41fd75a4b5
Local pid:
ora:3377
Deposit date:
2010-02-18

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