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Atomistic simulations of grain boundary pinning in CuFe alloys
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2005 (English)In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 87, no 23, 231904- p.Article in journal (Refereed) Published
Abstract [en]

We apply a hybrid Monte Carlo-molecular dynamics code to the study of grain boundary motion upon annealing of pure Cu and Cu with low concentrations of Fe. The hybrid simulations account for segregation and precipitation of the low solubility Fe, together with curvature-driven grain boundary motion. Grain boundaries in two different systems, a Sigma 7+U-shaped half-loop grain and a nanocrystalline sample, were found to be pinned in the presence of Fe concentrations exceeding 3%.

Place, publisher, year, edition, pages
2005. Vol. 87, no 23, 231904- p.
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Physical Sciences
URN: urn:nbn:se:kth:diva-37901DOI: 10.1063/1.2137871ISI: 000233723200026ScopusID: 2-s2.0-28444469394OAI: diva2:435567
Available from: 2011-08-19 Created: 2011-08-19 Last updated: 2011-08-19Bibliographically approved

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Oppelstrup, Tomas
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Numerical Analysis and Computer Science, NADA
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