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The effect of alloying elements on grain boundary and bulk cohesion in aluminum alloys: An ab initio study
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
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2011 (English)In: Scripta Materialia, ISSN 1359-6462, E-ISSN 1872-8456, Vol. 65, no 10, 926-929 p.Article in journal (Refereed) Published
Abstract [en]

The effect of B, Si, P, Cr, Ni, Zr and Mg impurities on cohesive properties of Al and its special grain boundary (GB) Sigma 5 (2 1 0) [1 0 0], as well as their segregation behavior at the GB and (2 1 0) surface are studied from first principles. Our analysis determines Ni to be the best and P the worst alloying elements in regard to the overall resistance to decohesion of Al alloys.

Place, publisher, year, edition, pages
2011. Vol. 65, no 10, 926-929 p.
Keyword [en]
Ab initio calculation, Grain boundary segregation, Grain boundary strengthening, Surface segregation, Aluminum alloys
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-47965DOI: 10.1016/j.scriptamat.2011.08.014ISI: 000296002900020Scopus ID: 2-s2.0-80053226829OAI: oai:DiVA.org:kth-47965DiVA: diva2:457244
Note
QC 20111117Available from: 2011-11-17 Created: 2011-11-15 Last updated: 2017-12-08Bibliographically approved

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