Modeling Dislocation Cutting of <i>γ</i> ′ Precipitates in Ni‐Base Superalloys: Linking Atomistic and Dislocation Dynamics Simulations

The exceptional strength of single‐crystalline Ni‐base superalloys arises from the resistance of cuboidal precipitates to penetration by ‐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 / interfaces. Accounting explicitly for internal misfit stresses, we show that the critical cutting stress is uniquely governed by the antiphase boundary (APB) energy, , 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.

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Publication Details

Journal
Advanced Engineering Materials
Published
2026-07-30
DOI
https://doi.org/10.1002/adem.70970
Primary Topic
High Temperature Alloys and Creep
Type
article
Field-Weighted Citation Impact
0.00

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article

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

Julien Guénolé, Frédéric Houllé, Alexander Hartmaier, Daria Smirnova et al.
Advanced Engineering Materials
High Temperature Alloys and Creep
article

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

Julien Guénolé, Frédéric Houllé, Alexander Hartmaier, Daria Smirnova, Siwen Gao, Erik Bitzek, Anxin Ma, Marc Fivel, Arun Prakash, Sriram Anand
article en

Abstract

The exceptional strength of single‐crystalline Ni‐base superalloys arises from the resistance of cuboidal precipitates to penetration by ‐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 / interfaces. Accounting explicitly for internal misfit stresses, we show that the critical cutting stress is uniquely governed by the antiphase boundary (APB) energy, , 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.

Advanced Engineering Materials
Institut polytechnique de Grenoble (FR), Centre National de la Recherche Scientifique (FR), Friedrich-Alexander-Universität Erlangen-Nürnberg (DE), Arts et Métiers (FR), Science et Ingénierie des Matériaux et Procédés (FR), Max-Planck-Institut für Nachhaltige Materialien (DE), Hexagon (United Kingdom) (GB), TU Bergakademie Freiberg (DE), Université Grenoble Alpes (FR), Ruhr University Bochum (DE)
Deutsche Forschungsgemeinschaft
Openalex Percentile: Top 17%
High Temperature Alloys and Creep
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