铀钼合金辐照位移级联的分子动力学模拟
Molecular Dynamics Simulations of Irradiation Displacement Cascades in U-Mo Alloys
DOI: 10.12677/ms.2025.151018, PDF,   
作者: 唐雨萌, 张爱民*：中国原子能科学研究院反应堆工程技术研究所反应堆安全及燃料性能研究室，北京
关键词: 铀钼合金；中子辐照；初级辐照损伤；分子动力学；Uranium-Molybdenum Alloy； Neutron Irradiation； Primary Irradiation Damage； Molecular Dynamics
摘要: U-Mo金属型核燃料因为其高铀含量和高热导率等优点，被认为是一种有潜力的新型核燃料，其辐照肿胀行为尚需进行深入研究。本文通过分子动力学模拟研究了γ-U-Mo合金中的位移级联。详细分析了级联过程。评估了初级离位原子(PKA)的初始方向和PKA能量对最终损伤状态的影响。结果表明，PKA的方向对最终的初级损伤状态没有影响。大多数缺陷团簇的大小不超过3，随着PKA能量的增加，产生较大间隙团簇和空位团簇的概率也会增加。尺寸大于3的团簇中的Mo间隙原子和孤立的Mo间隙原子所占的比例很低。
Abstract: The irradiated swelling behavior of U-Mo metal-based nuclear fuel, which is considered as a potential new nuclear fuel because of its high uranium content and high thermal conductivity, has yet to be studied in depth. In this paper, displacement cascades in γ-U-Mo alloys are investigated by molecular dynamics simulations. The cascade process is analyzed in detail. The effects of the initial orientation of the primary delocalized atoms (PKA) and the PKA energy on the final damage state were evaluated. The results show that the orientation of PKA has no effect on the final primary damage state. The size of most defect clusters does not exceed 3, and the probability of producing larger gap clusters and vacancy clusters increases with increasing PKA energy. The proportion of Mo interstitial atoms and isolated Mo interstitial atoms in clusters with sizes larger than 3 is low.
文章引用：唐雨萌, 张爱民. 铀钼合金辐照位移级联的分子动力学模拟[J]. 材料科学, 2025, 15(1): 149-159. https://doi.org/10.12677/ms.2025.151018

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