Thermodynamic modeling of the U-Nb-C and U-Ti-C systems over the entire composition and temperature ranges

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

Journal of Nuclear Materials Pub Date : 2025-08-23 DOI:10.1016/j.jnucmat.2025.156121

Liang Zhang , Shiyi Wen , Yuling Liu , Yong Du , Jiaqing Yin , Pei Zhang

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引用次数: 0

Abstract

Knowledge about the phase equilibria of the U-Nb-C and U-Ti-C systems is critical for designing U-based alloys and UC nuclear fuels. The ionic two-sublattice model offers the advantage of describing the liquid phase in a large range of composition: metal, ionic and liquid carbon with a single set of parameters. In order to reasonably extend the current thermodynamic descriptions to oxide systems, the ionic two-sublattice model is used in this work to describe the liquid phase. However, the thermodynamic parameters for the liquid phase in the Nb-C and Ti-C systems have not been previously described using the ionic two-sublattice model, and there is no reliable thermodynamic description for the U-Nb-C system. In this work, the Nb-C and Ti-C binary systems were re-optimized, and the U-Nb-C and U-Ti-C ternary systems were assessed using the CALPHAD (CALculation of PHAse Diagrams) approach, incorporating critically evaluated experimental phase equilibrium data. A set of self-consistent thermodynamic parameters was obtained to describe the phase equilibria in these systems. The calculated phase diagrams show excellent agreements with reliable experimental data. The developed thermodynamic descriptions provide a foundation for constructing multicomponent U-based thermodynamic databases and support the design of advanced nuclear materials, as well as impurity control in uranium alloys.

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U-Nb-C和U-Ti-C体系在整个组成和温度范围内的热力学建模

了解U-Nb-C和U-Ti-C体系的相平衡对于设计u基合金和UC核燃料至关重要。离子双亚晶格模型的优点是可以用一组参数描述大范围组成的液相：金属、离子和液态碳。为了将现有的热力学描述合理地扩展到氧化物体系，本文采用离子双亚晶格模型来描述液相。然而，Nb-C和Ti-C体系液相的热力学参数以前没有使用离子双亚晶格模型描述过，对于U-Nb-C体系也没有可靠的热力学描述。在这项工作中，Nb-C和Ti-C二元体系重新优化，并使用calphhad（相图计算）方法评估U-Nb-C和U-Ti-C三元体系，结合严格评估的实验相平衡数据。得到了一组自洽的热力学参数来描述这些体系的相平衡。计算得到的相图与可靠的实验数据吻合良好。所建立的热力学描述为构建基于铀的多组分热力学数据库提供了基础，并为先进核材料的设计以及铀合金中的杂质控制提供了支持。

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.