The capacity of disclinated non-equilibrium GBs to accommodate point defects in tungsten

IF 2.8 2区工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Nuclear Materials Pub Date : 2024-10-10 DOI:10.1016/j.jnucmat.2024.155442

Yingchong Xu , Hongxian Xie , Guang-Hong Lu

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Abstract

Experimental observations reveal that disclinated non-equilibrium grain boundaries (GBs) exist extensively in polycrystalline metals; however, the interaction between these GBs and irradiation-induced point defects is rarely reported. In the present work, Molecular statics simulation was used to evaluate the capacity of disclinated non-equilibrium GBs to accommodate point defects in tungsten. Simulation results showed that disclinated non-equilibrium GBs are more efficient sinks for point defects than their equilibrium counterparts because of long-range stress field around them. Continuous segregation of point defects will change the structure of the disclinated non-equilibrium GBs and leads to the GBs tending to relax to equilibrium state. According to theoretical calculation, the disclinated non-equilibrium GBs can absorb a large number of point defects before transforming into equilibrium state; therefore, disclinated non-equilibrium GBs have very strong capacity to accommodate point defects and can be used as strong defect sinks for developing radiation resistance materials.

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披露的非平衡 GB 在钨中容纳点缺陷的能力

实验观察表明，多晶金属中广泛存在着非平衡晶界（GBs）；然而，这些GBs与辐照诱发的点缺陷之间的相互作用却鲜有报道。在本研究中，分子静力学模拟被用来评估披露的非平衡晶界在钨中容纳点缺陷的能力。模拟结果表明，与平衡状态下的GBs相比，非平衡状态下的GBs由于其周围存在长程应力场，因此能更有效地吸收点缺陷。点缺陷的持续偏析会改变披露非平衡 GB 的结构，导致 GB 趋向于弛豫到平衡状态。根据理论计算，分离非平衡态 GB 在转变为平衡态之前可以吸收大量的点缺陷；因此，分离非平衡态 GB 具有很强的容纳点缺陷的能力，可用作开发抗辐射材料的强缺陷汇。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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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.