Modeling Dislocation Cutting of γ′ Precipitates in Ni-Base Superalloys: Linking Atomistic and Dislocation Dynamics Simulations

Houlle F, Gao S, Fivel M, Ma A, Smirnova D, Anand S, Prakash A, Guénolé J, Hartmaier A, Bitzek E (2026)

Publication Type: Journal article

Publication year: 2026

Journal

Advanced Engineering Materials Wiley

DOI: 10.1002/adem.70970

Abstract

The exceptional strength of single-crystalline Ni-base superalloys arises from the resistance of cuboidal (Formula presented.) precipitates to penetration by (Formula presented.) -channel dislocations. While discrete dislocation dynamics (DDD) simulations can capture this strengthening, their predictive capability depends on input parameters that are not directly accessible at the mesoscale. Here, we determine the critical stress for precipitate cutting from atomistic simulations of isolated, infinite dislocations interacting with planar (Formula presented.) / (Formula presented.) interfaces. Accounting explicitly for internal misfit stresses, we show that the critical cutting stress is uniquely governed by the antiphase boundary (APB) energy, (Formula presented.), independent of dislocation character. These atomistically derived parameters are transferred to 3D DDD simulations, enabling a systematic decoupling of lattice misfit, dislocation drag, solid-solution strengthening, and precipitate strength. The simulations reveal preferential cutting at precipitate edges, which is explained by a line-tension criterion that locally reduces the required stress. The framework applies to the low-temperature, high-stress regime where precipitate cutting dominates. By establishing the APB energy as the governing descriptor of precipitate resistance and embedding it into mesoscale simulations, this work provides a physically transparent and transferable basis for predictive modeling of plasticity in superalloy microstructures.

Authors with CRIS profile

Frederic Houlle Lehrstuhl für Werkstoffwissenschaften (Allgemeine Werkstoffeigenschaften) Aruna Prakash
Erik Bitzek Lehrstuhl für Werkstoffsimulation

Involved external institutions

Ruhr-Universität Bochum (RUB) DE Germany (DE) Université de Lorraine FR France (FR) Max-Planck-Institut für Nachhaltige Materialien / Max Planck Institute for Sustainable Materials (MPIE) DE Germany (DE) University of Grenoble Alpes (UGA) / Université de Grenoble FR France (FR) Technische Universität Bergakademie Freiberg DE Germany (DE)

How to cite

APA:

Houlle, F., Gao, S., Fivel, M., Ma, A., Smirnova, D., Anand, S.,... Bitzek, E. (2026). Modeling Dislocation Cutting of γ′ Precipitates in Ni-Base Superalloys: Linking Atomistic and Dislocation Dynamics Simulations. Advanced Engineering Materials. https://doi.org/10.1002/adem.70970

MLA:

Houlle, Frederic, et al. "Modeling Dislocation Cutting of γ′ Precipitates in Ni-Base Superalloys: Linking Atomistic and Dislocation Dynamics Simulations." Advanced Engineering Materials (2026).

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