Analysis of the Alloying System in Ni-Base Superalloys Based on Ab Initio Study of Impurity Segregation to Ni Grain Boundary
2011 (English)In: EURO SUPERALLOYS 2010 / [ed] Heilmaier, M, Trans Tech Publications Inc., 2011, Vol. 278, 192-197 p.Conference paper (Refereed)
A new approach to the design of Ni-based polycrystalline superalloys is proposed. It is based on a concept that under given structural conditions, the performance of superalloys is determined by the strength of interatomic bonding both in the bulk and at grain boundaries of material. We characterize the former by the cohesive energy of the bulk alloy, whereas for the latter we employ the work of separation of a representative high angle grain boundary. On the basis of our first principle calculations we suggest Hf and Zr as “minor alloying additions” to Ni-based alloys. Re, on the other hand, appears to be of little importance in polycrystalline alloys.
Place, publisher, year, edition, pages
Trans Tech Publications Inc., 2011. Vol. 278, 192-197 p.
, Advanced Materials Research, ISSN 1022-6680 ; 278
first principles, Ni-base superalloys, impurity segregation, ab initio, nickel alloys, grain boundaries
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-49626DOI: 10.4028/www.scientific.net/AMR.278.192ISI: 000303548400033ScopusID: 2-s2.0-79960692781ISBN: 978-3-03785-113-5OAI: oai:DiVA.org:kth-49626DiVA: diva2:459904
European Symposium on Superalloys and their Applications, Wildbad Kreuth, Germany, May 25-28, 2010
ProjectsThe Hero-m center (Hierarchic Engineering of Industrial Materials)
QC 201112302011-11-282011-11-282012-08-22Bibliographically approved