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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2026
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2604.05352 |
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| _version_ | 1866917387774722048 |
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| author | Chen, Beihan Ahmed, Dalia Sayed Yang, Yang Jin, Miaomiao |
| author_facet | Chen, Beihan Ahmed, Dalia Sayed Yang, Yang Jin, Miaomiao |
| contents | Chemical short-range order (CSRO) has emerged as a critical structural feature in concentrated alloys, yet its coupling with hydrogen remains an active discussion. Here, we develop a machine-learning interatomic potential for the Co-Ni-V-H system and investigate how CSRO regulates hydrogen energetics and dislocation behavior in CoNiV, an alloy with reported strong resistance to hydrogen embrittlement. We identify strong V-centered ordering that suppresses V-V clustering and significantly reshapes the hydrogen solution landscape. Compared to a chemically random alloy, the ordered state exhibits higher average hydrogen solution energies and a reduced population of strongly binding sites, indicating lower bulk hydrogen uptake. At partial dislocations, hydrogen preferentially segregates to tensile core regions, acting as a shallow, reversible trap with a much weaker effect compared to chemical trapping states. These results demonstrate that local chemical order strongly regulates hydrogen-dislocation coupling and provide an atomistic understanding for tuning hydrogen-assisted deformation in concentrated CoNiV alloys. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2604_05352 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Chemical Short-Range Order Regulates Hydrogen Energetics and Hydrogen-Dislocation Interactions in CoNiV Chen, Beihan Ahmed, Dalia Sayed Yang, Yang Jin, Miaomiao Materials Science Chemical short-range order (CSRO) has emerged as a critical structural feature in concentrated alloys, yet its coupling with hydrogen remains an active discussion. Here, we develop a machine-learning interatomic potential for the Co-Ni-V-H system and investigate how CSRO regulates hydrogen energetics and dislocation behavior in CoNiV, an alloy with reported strong resistance to hydrogen embrittlement. We identify strong V-centered ordering that suppresses V-V clustering and significantly reshapes the hydrogen solution landscape. Compared to a chemically random alloy, the ordered state exhibits higher average hydrogen solution energies and a reduced population of strongly binding sites, indicating lower bulk hydrogen uptake. At partial dislocations, hydrogen preferentially segregates to tensile core regions, acting as a shallow, reversible trap with a much weaker effect compared to chemical trapping states. These results demonstrate that local chemical order strongly regulates hydrogen-dislocation coupling and provide an atomistic understanding for tuning hydrogen-assisted deformation in concentrated CoNiV alloys. |
| title | Chemical Short-Range Order Regulates Hydrogen Energetics and Hydrogen-Dislocation Interactions in CoNiV |
| topic | Materials Science |
| url | https://arxiv.org/abs/2604.05352 |