About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
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| Symposium
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Interrelated Extremes in Materials Degradation for Fission and Fusion Environments
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| Presentation Title |
Review of point defect structures in hexagonal close packed metals and across the Periodic Table |
| Author(s) |
Andrew Ralph Warwick, Pui-Wai Ma, Sergei Lvovich Dudarev |
| On-Site Speaker (Planned) |
Andrew Ralph Warwick |
| Abstract Scope |
Fission and fusion reactors often use lightly alloyed bcc, fcc and hcp metals. Neutron irradiation generates vacancies and self-interstitial atoms, whose relaxation volume tensors are key to modeling radiation-induced stress and deformation. We extend prior defect studies in bcc [1] and fcc [2] metals by presenting an ab-initio dataset containing relaxation volume tensors of intrinsic point defect across 16 hcp metals [3]. This spans nearly all technologically relevant close-packed metals, excluding lanthanides and actinides. We find vacancy and interstitial relaxation volumes are on average −35% and +146% of the metal’s atomic volume, respectively. This database supports the development of machine learning potentials and enhances predictive models for radiation effects in fission and fusion environments.
[1] P.-W. Ma et al., Phys. Rev. Mater. 3, 013605 (2019).
[2] P.-W. Ma et al., Phys. Rev. Mater. 5, 13601 (2021).
[3] A.R. Warwick et al., arXiv:2505.19341 (2025). |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Nuclear Materials, Computational Materials Science & Engineering, |