Chromium doping effects on UO2 grain boundary chemistry: A combined experimental and modeling approach

IF 3.2 2区工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Nuclear Materials Pub Date : 2025-08-15 DOI:10.1016/j.jnucmat.2025.156114

Adrien J. Terricabras , Conor O.T. Galvin , Maria Kosmidou , Miguel Pena , Arjen van Veelen , William D. Neilson , Shen J. Dillon , Michael W.D. Cooper , David A. Andersson , Sarah C. Finkeldei , Joshua T. White

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Abstract

Chromium-doped UO₂ has been investigated as an Accident Tolerant Fuel (ATF) concept to enhance the performance and safety of Light Water Reactors (LWR). This study explores the impact of varying Cr doping levels on its segregation to and precipitation at grain boundaries of UO₂ through characterization analysis using transmission electron microscopy (TEM) and energy dispersive x-ray spectroscopy (EDS). A broad range of Cr doping levels is examined, from low solubility concentrations (750 ppm) to near-maximum solubility levels (2500 ppm) and extending beyond reported solubility limits (7800 ppm). The study compares these doping levels with undoped UO₂, evaluating their effects on the atomic concentration of Cr at grain boundaries and grain boundary thickness, all of which are influenced by Cr segregation. Changes in oxidation state were determined via X-ray Absorption Near Edge Structure (XANES). Molecular dynamics simulations are compared to experimental results, discussing concentration evolution, grain boundary type, and segregation energies.

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铬掺杂对UO2晶界化学的影响：实验与模拟相结合的方法

为了提高轻水反应堆（LWR）的性能和安全性，研究了掺铬UO2作为一种事故容忍燃料（ATF）的概念。本研究通过透射电子显微镜（TEM）和能量色散x射线能谱（EDS）的表征分析，探讨了不同Cr掺杂水平对UO2晶界偏析和析出的影响。铬掺杂水平的检测范围很广，从低溶解度浓度（750 ppm）到接近最大溶解度水平（2500 ppm），并超出报道的溶解度极限（7800 ppm）。本研究将这些掺杂水平与未掺杂的UO2进行比较，评估它们对晶界处Cr原子浓度和晶界厚度的影响，这些都受到Cr偏析的影响。通过x射线吸收近边结构（XANES）测定氧化态的变化。分子动力学模拟与实验结果进行了比较，讨论了浓度演化、晶界类型和偏析能。

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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.