Nano-structures in Al-based alloys

The usefulness of first-principles calculations for studying solute-atom clustering in metal alloys is discussed. This usefulness stems directly from the properties predicted by the calculations or via a related interpretation of experimental results. In this paper we review the results of our compu...

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Bibliographic Details
Published inJournal of physics. Conference series Vol. 265; no. 1; pp. 012017 - 13
Main Authors Folegati, Paola, Puska, Martti J, Staab, Torsten E M
Format Journal Article
LanguageEnglish
Published Bristol IOP Publishing 10.01.2011
Subjects
Alloys
Aluminum
Aluminum base alloys
Clustering
Clusters
Copper
First principles
Mathematical analysis
Nanostructure
Physics
Platelets
Positron annihilation
Stems
Three dimensional
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Summary:The usefulness of first-principles calculations for studying solute-atom clustering in metal alloys is discussed. This usefulness stems directly from the properties predicted by the calculations or via a related interpretation of experimental results. In this paper we review the results of our computational studies on small solute clusters in Al-based alloys. The predicted coincidence Doppler broadening spectra of the positron annihilation method are used to analyse experimental results. The calculated binding energies of small solute atom clusters explain why Cu atoms form two-dimensional platelets on the (100) planes in Al whereas Zn forms three-dimensional clusters.
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ISSN:1742-6596
1742-6588
1742-6596
DOI:10.1088/1742-6596/265/1/012017