Influence of Yttria Nanoclusters on the Void Nucleation in BCC Iron During Multi-Axial Tensile Deformation: A Molecular Dynamics Simulation
Oxide dispersion-strengthened (ODS) steels are among the most promising candidate structural materials for fusion and Generation-IV (Gen-IV) fission reactors, but the ductility of ODS steels is inferior to its strength properties. Therefore, we investigate void nucleation, considered as the first st...
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2025-05-01
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| author | Zhenyu Wei Yongjie Sun Yeshang Hu Lei Peng Jingyi Shi Yifan Shi Shangming Chen Yiyi Ma |
| author_facet | Zhenyu Wei Yongjie Sun Yeshang Hu Lei Peng Jingyi Shi Yifan Shi Shangming Chen Yiyi Ma |
| author_sort | Zhenyu Wei |
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| description | Oxide dispersion-strengthened (ODS) steels are among the most promising candidate structural materials for fusion and Generation-IV (Gen-IV) fission reactors, but the ductility of ODS steels is inferior to its strength properties. Therefore, we investigate void nucleation, considered as the first step of ductile damage in metal, using molecular dynamics simulations. Given that the materials are subjected to extremely complex stress states within the reactor, we present the void nucleation process of 1–4 nm Y<sub>2</sub>O<sub>3</sub> nanoclusters in bcc iron during uniaxial, biaxial, and triaxial tensile deformation. We find that the void nucleation process is divided into two stages depending on whether the dislocations are emitted. Void nucleation occurs at smaller strain in biaxial and triaxial tensile deformation in comparation to uniaxial tensile deformation. Increasing the size of clusters results in a smaller strain for void nucleation. The influence of 1 nm clusters on the process of void nucleation is slight, and the void nucleation process of 1 nm cluster cases is similar to that of pure iron. In addition, void nucleation is affected by both stress and strain concentration around the clusters, and the voids grow first in the areas of high stress triaxiality. |
| format | Article |
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| issn | 2073-4352 |
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| publishDate | 2025-05-01 |
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| spelling | doaj-art-3ee464888c20428a959706ea4df3a1e32025-08-20T01:56:23ZengMDPI AGCrystals2073-43522025-05-0115547610.3390/cryst15050476Influence of Yttria Nanoclusters on the Void Nucleation in BCC Iron During Multi-Axial Tensile Deformation: A Molecular Dynamics SimulationZhenyu Wei0Yongjie Sun1Yeshang Hu2Lei Peng3Jingyi Shi4Yifan Shi5Shangming Chen6Yiyi Ma7School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230027, ChinaSchool of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230027, ChinaSchool of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230027, ChinaSchool of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230027, ChinaSchool of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230027, ChinaSchool of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230027, ChinaSchool of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230027, ChinaSchool of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230027, ChinaOxide dispersion-strengthened (ODS) steels are among the most promising candidate structural materials for fusion and Generation-IV (Gen-IV) fission reactors, but the ductility of ODS steels is inferior to its strength properties. Therefore, we investigate void nucleation, considered as the first step of ductile damage in metal, using molecular dynamics simulations. Given that the materials are subjected to extremely complex stress states within the reactor, we present the void nucleation process of 1–4 nm Y<sub>2</sub>O<sub>3</sub> nanoclusters in bcc iron during uniaxial, biaxial, and triaxial tensile deformation. We find that the void nucleation process is divided into two stages depending on whether the dislocations are emitted. Void nucleation occurs at smaller strain in biaxial and triaxial tensile deformation in comparation to uniaxial tensile deformation. Increasing the size of clusters results in a smaller strain for void nucleation. The influence of 1 nm clusters on the process of void nucleation is slight, and the void nucleation process of 1 nm cluster cases is similar to that of pure iron. In addition, void nucleation is affected by both stress and strain concentration around the clusters, and the voids grow first in the areas of high stress triaxiality.https://www.mdpi.com/2073-4352/15/5/476ODS steelsvoid nucleationmulti-axial tensionmolecular dynamics |
| spellingShingle | Zhenyu Wei Yongjie Sun Yeshang Hu Lei Peng Jingyi Shi Yifan Shi Shangming Chen Yiyi Ma Influence of Yttria Nanoclusters on the Void Nucleation in BCC Iron During Multi-Axial Tensile Deformation: A Molecular Dynamics Simulation Crystals ODS steels void nucleation multi-axial tension molecular dynamics |
| title | Influence of Yttria Nanoclusters on the Void Nucleation in BCC Iron During Multi-Axial Tensile Deformation: A Molecular Dynamics Simulation |
| title_full | Influence of Yttria Nanoclusters on the Void Nucleation in BCC Iron During Multi-Axial Tensile Deformation: A Molecular Dynamics Simulation |
| title_fullStr | Influence of Yttria Nanoclusters on the Void Nucleation in BCC Iron During Multi-Axial Tensile Deformation: A Molecular Dynamics Simulation |
| title_full_unstemmed | Influence of Yttria Nanoclusters on the Void Nucleation in BCC Iron During Multi-Axial Tensile Deformation: A Molecular Dynamics Simulation |
| title_short | Influence of Yttria Nanoclusters on the Void Nucleation in BCC Iron During Multi-Axial Tensile Deformation: A Molecular Dynamics Simulation |
| title_sort | influence of yttria nanoclusters on the void nucleation in bcc iron during multi axial tensile deformation a molecular dynamics simulation |
| topic | ODS steels void nucleation multi-axial tension molecular dynamics |
| url | https://www.mdpi.com/2073-4352/15/5/476 |
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