Effect of alloying elements on the $γ$’ antiphase boundary energy in Ni-base superalloys

Dodaran, M.; Ettefagh, A. Hemmasian; Guo, S. M.; Khonsari, M. M.; Meng, W. J.; Shamsaei, N.; Shao, S.

doi:10.1016/j.intermet.2019.106670

Effect of alloying elements on the $$γ$$’ antiphase boundary energy in Ni-base superalloys

Journal Article · Mon Dec 16 00:00:00 EST 2019 · Intermetallics

DOI:https://doi.org/10.1016/j.intermet.2019.106670· OSTI ID:1658676

Dodaran, M. ^[1]; Ettefagh, A. Hemmasian ^[2]; Guo, S. M. ^[2]; Khonsari, M. M. ^[2]; Meng, W. J. ^[2]; Shamsaei, N. ^[3]; Shao, S. ^[3]

Auburn Univ., AL (United States); Louisiana State University
Louisiana State Univ., Baton Rouge, LA (United States)
Auburn Univ., AL (United States)

Mechanical and fatigue performance of γ-γ' Ni-base superalloys are strongly affected by the antiphase boundary energy (APBE) of the γ' precipitates which, in turn, is dictated by the alloy's composition. Due to the multicomponent character of these alloys, establishing composition-APBE relationships are challenging, even though the qualitative effect of individual solutes on the APBE may be known. This work attempts to utilize density functional theory-based cluster expansion calculations to systematically assess the effect of composition on the APBE of the γ' phases in Ni-base superalloys. We aim to elucidate the influence of not only one single element but also multiple coexisting alloying elements on the γ' APBE. By explicit consideration of configurational disorder via Monte Carlo sampling, the effect of temperature on the APBE has also been analyzed. Overall, this work reveals that (1) effects of individual solute element M on the APBE energy obtained in an isolated, ternary condition (i.e. in Ni_3-xAl_1-yM_x+y) does not directly translate to a multi-solute case and that (2) the mutual synergistic interactions among different solute elements are not negligible. Based on the present results, an empirical master equation that predicts the APBE based on the composition of the γ' phases has been obtained.

View Accepted Manuscript (DOE)

Research Organization:: Louisiana State Univ., Baton Rouge, LA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019378

OSTI ID:: 1658676

Alternate ID(s):: OSTI ID: 1867279
OSTI ID: 1579466

Journal Information:: Intermetallics, Journal Name: Intermetallics Vol. 117; ISSN 0966-9795

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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