The effect of alloying elements on grain boundary and bulk cohesion in aluminum alloys: An ab initio study
2011 (English)In: Scripta Materialia, ISSN 1359-6462, E-ISSN 1872-8456, Vol. 65, no 10, 926-929 p.Article in journal (Refereed) Published
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.
Ab initio calculation, Grain boundary segregation, Grain boundary strengthening, Surface segregation, Aluminum alloys
IdentifiersURN: urn:nbn:se:kth:diva-47965DOI: 10.1016/j.scriptamat.2011.08.014ISI: 000296002900020ScopusID: 2-s2.0-80053226829OAI: oai:DiVA.org:kth-47965DiVA: diva2:457244
QC 201111172011-11-172011-11-152011-11-17Bibliographically approved