Generalised stacking fault energy of Ni-Al and Co-Al-W superalloys : density-functional theory calculations

Hasan, H. and Mlkvik, P. and Haynes, P.D. and Vorontsov, V.A. (2020) Generalised stacking fault energy of Ni-Al and Co-Al-W superalloys : density-functional theory calculations. Materialia, 9. 100555. ISSN 2589-1529 (https://doi.org/10.1016/j.mtla.2019.100555)

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Abstract

Generalised stacking fault energy surfaces (Γ-surfaces) are calculated for Co-Al-W-based and Ni-Al-based superalloys from first-principles calculations. A Special Quasi-random Structure is employed in the calculation of the ternary compound, Co 3(Al,W). Phase field simulations are used to compare dislocation cores present in Co-based and Ni-based superalloys. The higher planar fault energies of the Co-based system lead to a more constricted dislocation which can have implications on both the bowing of dislocations as well as cross-slip. Additionally, planar fault energies of various L1 2 compounds are compared to explain observed segregation pathways in both types of superalloy. Both the planar fault energies and the segregation pathways are discussed within the context of strengthening mechanisms in superalloys.

ORCID iDs

Hasan, H., Mlkvik, P., Haynes, P.D. and Vorontsov, V.A. ORCID logoORCID: https://orcid.org/0000-0002-1958-0602;
  • Item type:Article
    ID code:70723
    Dates:
    Date
    Event
    31 March 2020
    Published
    5 December 2019
    Published Online
    3 December 2019
    Accepted
    Keywords:superalloys, density functional theory, stacking fault energy, phase field simulation, dislocations, Manufactures, Mechanics of Materials, Metals and Alloys
    Subjects:Technology > Manufactures
    Department:Faculty of Engineering > Design, Manufacture and Engineering Management
    Depositing user: Pure Administrator
    Date deposited:06 Dec 2019 13:35
    Last modified:05 Dec 2022 04:14
    Related URLs:
    URI:https://strathprints.strath.ac.uk/id/eprint/70723
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