Atomistic mechanism of activation controlled liquid metal corrosion at the Fe-Pb interface

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

Journal of Nuclear Materials Pub Date : 2024-10-28 DOI:10.1016/j.jnucmat.2024.155483

Ilia V. Voronov , Vladislav S. Nikolaev , Alexey V. Timofeev , Vladimir V. Stegailov

引用次数: 0

Abstract

A bcc iron bicrystal in contact with liquid lead is studied in molecular dynamics simulations to describe the atomistic mechanism of liquid metal corrosion in the activation controlled case. In this process, the main structural features involved are Fe grain boundaries and Fe-Pb interfaces. The atomistic model considered reveals that the interplay of atomic processes such as surface self-diffusion of Fe and dissolution of Fe into Pb determines the mechanism and kinetics law of liquid metal corrosion. Analysis of the proposed mechanism explains the dependence between the kinetics of liquid metal corrosion and the grain size of the specimen.

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铁-铅界面活化控制液态金属腐蚀的原子机制

分子动力学模拟研究了与液态铅接触的 bcc 铁双晶，以描述活化受控情况下液态金属腐蚀的原子机制。在这一过程中，涉及的主要结构特征是铁晶界和铁铅界面。所考虑的原子模型显示，铁的表面自扩散和铁溶解到铅等原子过程的相互作用决定了液态金属腐蚀的机理和动力学规律。对所提出机制的分析解释了液态金属腐蚀动力学与试样晶粒大小之间的关系。

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.