Quantitative phase-field simulation of Pu oxidation at low temperatures through a pragmatic strategy for coupling with thermodynamic and diffusion descriptions of stoichiometric compounds

IF 2.8 2区工程技术 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Nuclear Materials Pub Date : 2024-09-18 DOI:10.1016/j.jnucmat.2024.155413

Sa Ma , Pengchuang Liu , Lijun Zhang

引用次数: 0

Abstract

In this letter, we developed a pragmatic strategy for coupling the phase-field model with the thermodynamic/kinetic descriptions and applied it to quantitatively describe the complex oxidation process of Pu. The microstructure evolution of Pu during oxidation at 423 K and 473 K was carefully simulated, and the thickness curves of various oxides were successfully predicted, which can provide the theoretical support for the storage and protection of Pu related materials. Furthermore, it is anticipated that the pragmatic strategy is universally applicable for quantitative simulation of the complex oxidation process.

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通过与化学计量化合物的热力学和扩散描述耦合的实用战略，对低温下的钚氧化进行定量相场模拟

在这封信中，我们发展了一种将相场模型与热力学/动力学描述耦合的实用策略，并将其应用于定量描述钚的复杂氧化过程。我们仔细模拟了钚在 423 K 和 473 K 氧化过程中的微观结构演变，成功预测了各种氧化物的厚度曲线，为钚相关材料的储存和保护提供了理论支持。此外，预计该实用策略普遍适用于复杂氧化过程的定量模拟。

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.