Modeling antiphase boundary energies of Ni3Al-based alloys using automated density functional theory and machine learning

E Chen, A Tamm, T Wang, ME Epler, M Asta… - npj Computational …, 2022 - nature.com
Antiphase boundaries (APBs) are planar defects that play a critical role in strengthening Ni-
based superalloys, and their sensitivity to alloy composition offers a flexible tuning …

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

M Dodaran, AH Ettefagh, SM Guo, MM Khonsari… - Intermetallics, 2020 - Elsevier
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 …

Effect of composition on antiphase boundary energy in based alloys: Ab initio calculations

OI Gorbatov, IL Lomaev, YN Gornostyrev, AV Ruban… - Physical Review B, 2016 - APS
The effect of composition on the antiphase boundary (APB) energy of Ni-based L 1 2-
ordered alloys is investigated by ab initio calculations employing the coherent potential …

[HTML][HTML] Origin of the yield stress anomaly in L12 intermetallics unveiled with physically informed machine-learning potentials

X Xu, X Zhang, E Bitzek, S Schmauder, B Grabowski - Acta Materialia, 2024 - Elsevier
The yield stress anomaly of L1 2 intermetallics such as Ni 3 Al, Ni 3 Ga, Co 3 (Al, W) is
controlled by the so-called Kear–Wilsdorf lock (KWL), of which the formation and unlocking …

The role of< 112>{111} slip in the initial plastic deformation of Ni-base superalloys at room temperature

CX Dang, P Zhang, J Li, ZH Gao, B Li, XF Gong… - Materials …, 2020 - Elsevier
After just yielding at room temperature, the deformation mechanisms in the Ni-base
superalloys René N5, CMSX-4, PWA 1483, and CM247LC are investigated by transmission …

Temperature dependence of tensile deformation mechanisms in a powder metallurgy Ni–Co–Cr based superalloy with Ta addition

JM Bai, HP Zhang, JT Liu, MD Zhang, CS Liu… - Materials Science and …, 2022 - Elsevier
To further develop Ni-based powder metallurgy (PM) superalloys for aero-engines, it is
critical to understand their deformation mechanisms at various service temperatures. For …

The effect of Ta, W, and Re additions on the tensile-deformation behavior of model Ni-based single-crystal superalloys at intermediate temperature

S Liu, C Wang, P Yan, T Yu - Materials Science and Engineering: A, 2022 - Elsevier
The influence of refractory additions on tensile deformation behavior has been studied at an
intermediate temperature (760° C) using scanning and transmission electron microscopy …

[HTML][HTML] Segregation of alloying elements to intrinsic and extrinsic stacking faults in γ′-Ni3Al via first principles calculations

NC Eurich, PD Bristowe - Scripta Materialia, 2015 - Elsevier
First principles calculations are used to investigate the segregation behaviour of Co, Cr, Re,
Mo and W to intrinsic and extrinsic stacking faults in γ′-Ni 3 Al. It is shown that the change …

Dislocation core structures in Ni-based superalloys computed using a density functional theory based flexible boundary condition approach

AMZ Tan, C Woodward, DR Trinkle - Physical Review Materials, 2019 - APS
Nickel-based superalloys are widely used in applications requiring high strength and creep
and fatigue resistance at elevated temperatures. Such structural properties are controlled by …

Accurate complex-stacking-fault Gibbs energy in Ni3Al at high temperatures

X Xu, X Zhang, A Ruban, S Schmauder, B Grabowski - Scripta Materialia, 2024 - Elsevier
To gain a deeper insight into the anomalous yield behavior of Ni 3 Al, it is essential to obtain
temperature-dependent formation Gibbs energies of the relevant planar defects. Here, the …