对称倾斜晶界对钨中氦泡的通道效应

IF 2.8 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Journal of Nuclear Materials Pub Date : 2023-08-27 DOI:10.1016/j.jnucmat.2023.154701
Jingxiao Ren , Hongxian Xie , Fuxing Yin , Guanghong Lu
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引用次数: 0

摘要

氦原子易在晶界等各种晶体缺陷处迁移聚集,促使氦泡成核长大,最终对核材料造成严重的辐射损伤。采用分子动力学模拟方法研究了低角度对称倾斜[100]轴晶界的结构特征及其对钨中氦泡的通道效应。分析了各晶界模型中氦气泡尺寸的三轴变化曲线以及各晶界氦扩散系数与其本征晶体结构的关系。结果表明,氦气泡在不同晶界处生长为一维纳米通道,而在形成一维纳米通道之前,这些晶界所能容纳的最大氦气泡数存在显著差异。此外,在低角度对称倾斜晶界< 100 >边缘位错线上存在氦纳米通道,通过分子动力学模拟< 100 >边缘位错线上的氦气泡生长和氦扩散方程得到了很好的验证。这表明,通过低角度对称倾斜晶界的纳米通道结构将氦释放到钨基体外可能是解决钨材料气泡成核和膨胀根源的潜在策略。
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The channeling effect of symmetrical tilt grain boundaries on helium bubbles in tungsten

Helium atoms can migrate easily and aggregate at various crystal defects, such as grain boundaries, which promote the nucleation and growth of helium bubbles, ultimately causing severe radiation damage to nuclear materials. Structure characteristics of grain boundaries with low-angle symmetrical tilt of the [100] axle and their channeling effects on helium bubbles in tungsten were investigated by molecular dynamics simulations. The triaxial variation curves of the helium bubble size in each grain boundary model and the relationship of the helium diffusion coefficient of each grain boundary to their intrinsic crystal structures are analyzed. The results indicate that the helium bubbles grow into one-dimensional nanochannels at the selected grain boundaries, and there is a significant difference in the maximum number of helium bubbles these grain boundaries can accommodate before forming one-dimensional nanochannels. Furthermore, the existence of helium nanochannels along the 〈100〉 edge dislocation line in the low-angle symmetrical tilt grain boundaries is well verified by molecular dynamics simulation of the helium bubble growth and helium diffusion equations at the 〈100〉 edge dislocation line. This suggests that releasing helium outside of the tungsten matrix through the nanochannel structures of low-angle symmetrical tilt grain boundaries may be a potential strategy to address the root causes of bubble nucleation and swelling of tungsten material.

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来源期刊
Journal of Nuclear Materials
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.
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