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Spontaneous dislocation loop absorption at grain boundaries: Atomistic insights from simulated irradiation of nanocrystalline tungsten

Luca Reali, Fredric Granberg, Max Boleininger, S. L. Dudarev and 1 more

Scripta Materialia | Oct 7, 2026

Abstract

Abstract

Materials resistance under irradiation is one of the potential showstoppers for fusion power. Nanocrystalline metals have long been proposed as a viable solution due to the role of grain boundaries (GBs) in absorbing radiation defects. Here we observe dislocation loops disappearing into GBs leaving no trace through very large-scale atomistic simulations of nanocrystalline tungsten, a key plasma-facing material. Three simulations, with differing defect mobility, and hence defect density, reveal how unstable dislocations near grain boundaries are. Both generation and evolution of defects naturally arise through simulations, in a setting that provides a lower bound for defect mobility, implying that at operating times and temperatures this process is even more likely to occur. The postulated and experimentally observed phenomena of grain boundaries acting as sinks for mobile defects are validated here by parameter-free molecular dynamics.

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Authors

Researchers on this paper

Luca Reali

first | United Kingdom Atomic Energy Authority | ORCID 0000-0003-0300-0359

Fredric Granberg

middle | University of Helsinki | ORCID 0000-0001-9058-5652

Max Boleininger

middle | United Kingdom Atomic Energy Authority | ORCID 0000-0003-2862-3376

S. L. Dudarev

middle | United Kingdom Atomic Energy Authority | ORCID 0000-0002-7954-3547

Daniel R. Mason

last | United Kingdom Atomic Energy Authority | ORCID 0000-0002-1536-6254

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Citation

BibTeX

@article{Reali2026Spontaneous,
  title = {Spontaneous dislocation loop absorption at grain boundaries: Atomistic insights from simulated irradiation of nanocrystalline tungsten},
  author = {Luca Reali and Fredric Granberg and Max Boleininger and S. L. Dudarev and Daniel R. Mason},
  journal = {Scripta Materialia},
  year = {2026},
  doi = {10.1016/j.scriptamat.2026.117618},
  url = {https://doi.org/10.1016/j.scriptamat.2026.117618}
}

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