Self-interstitial structures in body-centred-cubic W studied by molecular dynamics simulation
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
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  dumb-bell. The  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  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.
IdentifiersURN: urn:nbn:se:liu:diva-105973DOI: 10.1088/0953-8984/11/34/302OAI: oai:DiVA.org:liu-105973DiVA: diva2:712805