Rongyang Qiu , Yangchun Chen , Xichuan Liao , Yankun Dou , Xinfu He , Wen Yang , Wangyu Hu , Huiqiu Deng
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引用次数: 0
Abstract
High-entropy alloys (HEA) have attracted considerable attention in the development of nuclear materials due to their excellent properties. In this study, the primary irradiation damage and long-term defect evolution of pure V, V-5Ti-5Ta conventional alloy, V-Ti-Ta MEA and V-Ti-Ta-Nb HEA were simulated by molecular dynamics (MD) to understand the irradiation resistance mechanism of these four systems. The primary irradiation damage simulation results indicate that the V-Ti-Ta MEA and V-Ti-Ta-Nb HEA exhibit a delayed thermal peak, a longer defect recombination time and a slightly higher number of final Frenkel pairs (FPs) than pure V and V-5Ti-5Ta alloy. Both primary irradiation damage and long-time defect evolution results show that V-Ti-Ta MEA and V-Ti-Ta-Nb HEA have lower defect clustering fraction, cluster size and dislocation loop size than pure V and V-5Ti-5Ta. This is because V-Ti-Ta MEA and V-Ti-Ta-Nb HEA exhibit lower dislocation loop binding energy and defect mobility compared to pure V and V-5Ti-5Ta alloy. This study investigates the reasons for the better radiation resistance of V-Ti-Ta MEA and V-Ti-Ta-Nb HEA than pure V and V-5Ti-5Ta conventional alloys.
高熵合金(HEA)因其优异的性能在核材料开发中备受关注。本研究通过分子动力学(MD)模拟了纯V、V-5Ti-5Ta传统合金、V-Ti-Ta MEA和V-Ti-Ta-Nb HEA的一次辐照损伤和长期缺陷演化,以了解这四个体系的抗辐照机理。原生辐照损伤模拟结果表明,与纯 V 和 V-5Ti-5Ta 合金相比,V-Ti-Ta MEA 和 V-Ti-Ta-Nb HEA 表现出延迟的热峰值、更长的缺陷重组时间和稍高的最终弗伦克尔对(FPs)数量。一次辐照损伤和长时间缺陷演变结果都表明,V-Ti-Ta MEA 和 V-Ti-Ta-Nb HEA 的缺陷聚类分数、聚类尺寸和位错环尺寸都低于纯 V 和 V-5Ti-5Ta。这是因为与纯 V 和 V-5Ti-5Ta 合金相比,V-Ti-Ta MEA 和 V-Ti-Ta-Nb HEA 表现出较低的位错环结合能和缺陷迁移率。本研究探讨了 V-Ti-Ta MEA 和 V-Ti-Ta-Nb HEA 的耐辐射性优于纯 V 和 V-5Ti-5Ta 传统合金的原因。
期刊介绍:
The Journal of Nuclear Materials publishes high quality papers in materials research for nuclear applications, primarily fission reactors, fusion reactors, and similar environments including radiation areas of charged particle accelerators. Both original research and critical review papers covering experimental, theoretical, and computational aspects of either fundamental or applied nature are welcome.
The breadth of the field is such that a wide range of processes and properties in the field of materials science and engineering is of interest to the readership, spanning atom-scale processes, microstructures, thermodynamics, mechanical properties, physical properties, and corrosion, for example.
Topics covered by JNM
Fission reactor materials, including fuels, cladding, core structures, pressure vessels, coolant interactions with materials, moderator and control components, fission product behavior.
Materials aspects of the entire fuel cycle.
Materials aspects of the actinides and their compounds.
Performance of nuclear waste materials; materials aspects of the immobilization of wastes.
Fusion reactor materials, including first walls, blankets, insulators and magnets.
Neutron and charged particle radiation effects in materials, including defects, transmutations, microstructures, phase changes and macroscopic properties.
Interaction of plasmas, ion beams, electron beams and electromagnetic radiation with materials relevant to nuclear systems.