Cross slip of extended dislocations in face-centered cubic metals through phase-field modeling

Wise, Ian; Hunter, Abigail; Beyerlein, Irene J.

doi:10.1088/1361-651X/ade31f

Cross slip of extended dislocations in face-centered cubic metals through phase-field modeling

Journal Article · Thu Jun 19 00:00:00 EDT 2025 · Modelling and Simulation in Materials Science and Engineering

DOI:https://doi.org/10.1088/1361-651X/ade31f· OSTI ID:2570042

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Univ. of California, Santa Barbara, CA (United States)
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Cross slip is a dislocation mechanism that significantly impacts the mechanical behavior of engineering alloys. Here, in this work, we advance a 3D phase-field dislocation dynamics (PFDD) mesoscale technique to simulate cross slip across a broad range of face-centered cubic (FCC) metals. The formulation incorporates elastic anisotropy, an FCC numerical grid, and a high-fidelity representation of the entire γ-surface from density functional theory for eight FCC metals and no adjustable parameters or rules. The relaxed core structures under zero stress for all metals are predicted to extend in plane. The analytical model for stacking fault width agrees well with the PFDD result under the assumption of elastic isotropy but overestimates it under elastic anisotropy, when the degree of anisotropy is large. The dynamic simulations are designed to elucidate the material parameters that influence the propensity for cross slip. Whether cross slip occurs under a non-Schmid stress or to bypass a hard obstacle, the critical stress to cross slip scales strongly with the anisotropic energy coefficient for a screw dislocation.

View Accepted Manuscript (DOE)

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 2570042

Report Number(s):: LA-UR--24-31847; 10.1088/1361-651X/ade31f; 1361-651X

Journal Information:: Modelling and Simulation in Materials Science and Engineering, Journal Name: Modelling and Simulation in Materials Science and Engineering Journal Issue: 5 Vol. 33; ISSN 0965-0393; ISSN 1361-651X

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Cross slip of extended dislocations in face-centered cubic metals through phase-field modeling

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