Atomic-scale mechanisms of He-induced dislocation loop growth in α-Fe from molecular dynamics simulations

IF 3.2 2区 工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Journal of Nuclear Materials Pub Date : 2025-03-01 Epub Date: 2025-02-03 DOI:10.1016/j.jnucmat.2025.155672
Ziqiang Wang, Xiangyan Li, Yange Zhang, Yichun Xu, Changsong Liu, Xuebang Wu
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Abstract

The interaction between helium (He) and irradiation damage is crucial for understanding the degradation mechanisms and performance of structural materials for fusion applications. However, the atomic-scale mechanisms underlying the helium influence on dislocation loop growth remain poorly understood. In this work, we investigated the interactions between He and interstitial dislocation loops in bcc iron using molecular dynamics simulations. It was found that the formation of He bubbles around dislocation loops enhances loop growth through the dislocation climb mechanism. An increased He implantation rate results in a higher growth rate of dislocation loops, with more He bubble nucleation on the loops leading to greater loop extension. Furthermore, the interactions between dislocation loops and immobile He bubbles contribute to loop enlargement through the dislocation loop absorption mechanism. Larger He bubbles induce a more substantial rise in loop length. These findings provide valuable insights into the atomic-scale processes by which He promotes dislocation loop growth in α-Fe, advancing our understanding of He-induced irradiation damage in fusion materials.

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α-Fe中he诱导位错环生长的原子尺度机制
氦(He)与辐照损伤之间的相互作用对于理解聚变应用结构材料的降解机制和性能至关重要。然而,氦对位错环生长影响的原子尺度机制仍然知之甚少。在这项工作中,我们利用分子动力学模拟研究了bcc铁中He和间隙位错环之间的相互作用。发现位错环周围He气泡的形成通过位错爬升机制促进了环的生长。随着He注入率的增加,位错环的生长速度加快,位错环上He气泡形核增多,位错环的延伸量增大。此外,位错环与固定He气泡之间的相互作用通过位错环吸收机制使环扩大。较大的He气泡诱导环路长度更大幅度的上升。这些发现为He促进α-Fe中位错环生长的原子尺度过程提供了有价值的见解,促进了我们对聚变材料中He诱导辐照损伤的理解。
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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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