The influence of alloying elements on grain boundary and bulk cohesion in aluminum all: Ab initio study
2012 (English)In: Thermec 2011 Supplement, Trans Tech Publications Inc., 2012, Vol. 409, 417-422 p.Conference paper (Refereed)
The effect of B, Si, P, Cr, Ni, Zr and Mg on cohesive properties of Al and the specialgrain boundary (GB) Σ5 (210), as well as their segregation behavior at the GB and the (210)surface are studied by first principles method. The analysis of these parameters allows us to singleout Ni as the best and phosphorus as the worst interatomic bond strengthening alloying elements.
Place, publisher, year, edition, pages
Trans Tech Publications Inc., 2012. Vol. 409, 417-422 p.
, Advanced Materials Research, ISSN 1022-6680 ; 409
ab initio calculation, grain boundary segregation, grain boundary strengthening, surface segregation, aluminum alloys
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-49649DOI: 10.4028/www.scientific.net/AMR.409.417ScopusID: 2-s2.0-84855215618ISBN: 978-303785304-7OAI: oai:DiVA.org:kth-49649DiVA: diva2:459946
7th International Conference on Processing and Manufacturing of Advanced Materials, THERMEC'2011; Quebec City, QC; Canada; 1 August 2011 through 5 August 2011
QC 201208012011-11-282011-11-282014-08-25Bibliographically approved