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Self-trapped interstitial-type defects in iron
School of Mathematics and Physics, Queen's University Belfast, United Kingdom.ORCID iD: 0000-0002-2381-3309
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2008 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 100, no 14Article in journal (Refereed) Published
Abstract [en]

Small interstitial-type defects in iron with complex structures and very low mobilities are revealed by molecular dynamics simulations. The stability of these defect clusters formed by nonparallel < 110 > dumbbells is confirmed by density functional theory calculations, and it is shown to increase with increasing temperature due to large vibrational formation entropies. This new family of defects provides an explanation for the low mobility of clusters needed to account for experimental observations of microstructure evolution under irradiation at variance with the fast migration obtained from previous atomistic simulations for conventional self-interstitial clusters.

Place, publisher, year, edition, pages
2008. Vol. 100, no 14
National Category
Condensed Matter Physics
Research subject
SRA - Energy
URN: urn:nbn:se:kth:diva-62842DOI: 10.1103/PhysRevLett.100.145503ISI: 000254940900041OAI: diva2:481225
QC 20120124Available from: 2012-01-20 Created: 2012-01-20 Last updated: 2012-01-24Bibliographically approved

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Olsson, Pär
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