Doping effects on the stacking fault energies of the γ' phase in Ni-based superalloys

doi:10.1088/1674-1056/ab6203

Abstract The doping effects on the stacking fault energies (SFEs), including the superlattice intrinsic stacking fault and superlattice extrinsic stacking fault, were studied by first principles calculation of the γ' phase in the Ni-based superalloys. The formation energy results show that the main alloying elements in Ni-based superalloys, such as Re, Cr, Mo, Ta, and W, prefer to occupy the Al-site in Ni₃Al, Co shows a weak tendency to occupy the Ni-site, and Ru shows a weak tendency to occupy the Al-site. The SFE results show that Co and Ru could decrease the SFEs when added to fault planes, while other main elements increase SFEs. The double-packed superlattice intrinsic stacking fault energies are lower than superlattice extrinsic stacking fault energies when elements (except Co) occupy an Al-site. Furthermore, the SFEs show a symmetrical distribution with the location of the elements in the ternary model. A detailed electronic structure analysis of the Ru effects shows that SFEs correlated with not only the symmetry reduction of the charge accumulation but also the changes in structural energy.

Keywords: stacking fault energy site preference Ni-based superalloys electronic structure

Received: 07 June 2019
Revised: 13 December 2019
Accepted manuscript online:

PACS:	64.60.De	(Statistical mechanics of model systems (Ising model, Potts model, field-theory models, Monte Carlo techniques, etc.))
	61.72.Nn	(Stacking faults and other planar or extended defects)
	61.72.S-	(Impurities in crystals)
	61.82.Bg	(Metals and alloys)

Fund: Project supported by the National Key Research and Development Program of China (Grant No. 2017YFB0701502).

Corresponding Authors: Chongyu Wang
E-mail: cywang@mail.tsinghua.edu.cn

Cite this article:

Weijie Li(李伟节), Chongyu Wang(王崇愚) Doping effects on the stacking fault energies of the γ' phase in Ni-based superalloys 2020 Chin. Phys. B 29 026401

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Doping effects on the stacking fault energies of the γ' phase in Ni-based superalloys

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