Enhanced He irradiation-resistance of M/A-site two-component MAX phase revealed via defect evolution

IF 3.2 2区工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Journal of Nuclear Materials Pub Date : 2025-02-01 Epub Date: 2025-01-07 DOI:10.1016/j.jnucmat.2025.155615

Yulin Wei , Xiaoyue Li , Chenhao Yang , Junxiong Liu , Ping Peng , Min Liu

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Abstract

To enhance the He irradiation-resistance of the MAX phase, the irradiation-induced defect evolution of the Ti₃SiC₂-based two-component MAX phase has been investigated by First Principles. This clarifies the laws and mechanisms of irradiation damage in different structural two-component MAX phases, which offers a crucial reference for the screening of new nuclear structural materials. It was found that the M-site solid solution promoted the vacancies formation, inhibited interstitial dissolution of He, and reduced the damage to atomic stability caused by He-vacancies. The A-site solid solution decreased the formation energy of antisite defects and enhanced the resistance to damage induced by vacancies. He bubbles are less likely to form because both two-component MAX phases prevent He atoms from migrating and binding within the lattice and interfaces. Furthermore, the degree of lattice distortion affected the degree of property alteration and the tendency, which made the comprehensive performance of (Ti_0.5Ta_0.5)₃SiC₂ and Ti₃(Si_0.5Al_0.5)C₂ better. The difference in properties resulted from the combined effect of the interatomic binding strength and the mixed bonding type.

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缺陷演化揭示了M/ a位点双组分MAX相增强的He耐辐照性

为了提高MAX相的抗He辐照能力，利用第一性原理研究了ti3sic2基双组分MAX相辐照缺陷的演化过程。阐明了不同结构双组分MAX相辐照损伤的规律和机理，为新型核结构材料的筛选提供了重要参考。发现m位固溶体促进了空位的形成，抑制了He的间隙溶解，降低了He空位对原子稳定性的破坏。a位固溶体降低了对位缺陷的形成能，增强了对空位损伤的抵抗能力。氦气泡不太可能形成，因为两组分MAX相都阻止了氦原子在晶格和界面内的迁移和结合。此外，晶格畸变程度影响了性能变化的程度和趋势，使得（Ti0.5Ta0.5）3SiC2和Ti3(Si0.5Al0.5)C2的综合性能更好。性能的差异是原子间结合强度和混合键类型共同作用的结果。

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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.