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Self-interstitial structures in body-centred-cubic W studied by molecular dynamics simulation
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.ORCID iD: 0000-0002-2837-3656
1999 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 11, no 34, 6509-6514 p.Article in journal (Refereed) Published
Abstract [en]

This paper reports a simulation study of the detailed structure of an interstitial in a body-centred-cubic (bcc) metal, tungsten (W), using molecular dynamics and the embedded-atom method. Several distinct configurations can be discerned, including the well-known split-interstitial [011] dumb-bell. The [111] crowdion is also observed, as is a set of similar, one-dimensional, defect configurations. These are grouped into a proposed classification scheme, in which the traditional crowdion is revealed as part of a whole family. The defect energies of the various configurations are computed, and comparisons are made with bce iron (Fe) results. The [011] dumb-bell is the energetically most favourable configuration in W. It is found to have a radius of approximately one W lattice constant, 3.16 Angstrom.

Place, publisher, year, edition, pages
Institute of Physics Publishing (IOPP), 1999. Vol. 11, no 34, 6509-6514 p.
National Category
Natural Sciences
Identifiers
URN: urn:nbn:se:liu:diva-105973DOI: 10.1088/0953-8984/11/34/302OAI: oai:DiVA.org:liu-105973DiVA: diva2:712805
Available from: 2014-04-16 Created: 2014-04-15 Last updated: 2017-12-05Bibliographically approved

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Münger, PeterHultman, Lars

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