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The influence of alloying elements on grain boundary and bulk cohesion in aluminum all: Ab initio study
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics. National University of Science and Technology MISIS, Moscow, Russian Federation .
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
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2012 (English)In: Thermec 2011 Supplement, Trans Tech Publications Inc., 2012, Vol. 409, 417-422 p.Conference paper, Published paper (Refereed)
Abstract [en]

The effect of B, Si, P, Cr, Ni, Zr and Mg on cohesive properties of Al and the specialgrain boundary (GB) Σ5 (210)[100], 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.
Series
Advanced Materials Research, ISSN 1022-6680 ; 409
Keyword [en]
ab initio calculation, grain boundary segregation, grain boundary strengthening, surface segregation, aluminum alloys
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-49649DOI: 10.4028/www.scientific.net/AMR.409.417Scopus ID: 2-s2.0-84855215618ISBN: 978-303785304-7 (print)OAI: oai:DiVA.org:kth-49649DiVA: diva2:459946
Conference
7th International Conference on Processing and Manufacturing of Advanced Materials, THERMEC'2011; Quebec City, QC; Canada; 1 August 2011 through 5 August 2011
Note

QC 20120801

Available from: 2011-11-28 Created: 2011-11-28 Last updated: 2014-08-25Bibliographically approved

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