辐照诱导bcc难熔高熵合金TiZrHfNbTa晶界强化/脆化

IF 3.2 2区工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Nuclear Materials Pub Date : 2025-09-13 DOI:10.1016/j.jnucmat.2025.156163

Chuanlong Xu, Peidong Li, Xiaobao Tian, Wentao Jiang, Qingyuan Wang, Haidong Fan

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引用次数: 0

摘要

高熵合金具有良好的力学性能，在核反应堆中具有潜在的应用前景。本文采用分子动力学（MD）模拟方法研究了高温高熵合金（RHEA） TiZrHfNbTa和纯Ta辐照诱导的晶界强化/脆化。模拟了低角度对称倾斜GB在拉伸变形下的不同响应。结果表明，辐照致点缺陷对GB断裂有不同程度的影响。在纯Ta中，间隙和空位都能导致GB脆化。对于RHEA来说，只有空位会导致GB脆化，而间隙则相反。通过测定GB的间隙和空位的强化/脆化能，解释了点缺陷对纯Ta和RHEA中GB断裂的不同影响。本工作证实了TiZrHfNbTa RHEA在GB行为方面表现出比纯Ta更好的耐辐照性，为理解GB对力学性能的调控机制提供了新的思路，这对于提高RHEA中的辐照效果具有重要意义。

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Irradiation-induced grain boundary strengthening/embrittlement in bcc refractory high entropy alloy TiZrHfNbTa

High entropy alloys (HEA) exhibit good mechanical performances and have potential applications in nuclear reactors. In this work, molecular dynamic (MD) simulation was performed to investigate the irradiation-induced grain boundary (GB) strengthening/embrittlement in refractory high entropy alloy (RHEA) TiZrHfNbTa and pure Ta. The distinct responses of low-angle symmetric tilt GB under tensile deformation were simulated. It was found that the irradiation-induced point defects have different influences on the GB fracture. Both the interstitials and vacancies can lead to GB embrittlement in pure Ta. For RHEA, only vacancies can lead to GB embrittlement while the interstitials can strengthen the GB conversely. By measuring the strengthening/embrittlement energy of interstitial and vacancy at GB, the different effects of point defects on GB fracture in pure Ta and RHEA were explained. This work confirmed that the TiZrHfNbTa RHEA shows better irradiation resistance than pure Ta in the perspective of GB behaviors, and provides new insights into understanding the GB regulation mechanism on mechanical properties, which are important for improving the irradiation effects in RHEA.

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来源期刊

Journal of Nuclear Materials 工程技术-材料科学：综合

CiteScore

5.70

自引率

25.80%

发文量

601

审稿时长

63 days

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.