A mesoscale phase-field model of intergranular liquid lithium corrosion of ferritic/martensitic steels.

IF 6.6 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

npj Materials Degradation Pub Date : 2025-01-01 Epub Date: 2025-06-10 DOI:10.1038/s41529-025-00616-4

Alexandre Lhoest, Sasa Kovacevic, Duc Nguyen-Manh, Joven Lim, Emilio Martínez-Pañeda, Mark R Wenman

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Abstract

A phase-field model is developed to simulate intergranular corrosion of ferritic/martensitic steels exposed to liquid lithium. The chromium concentration of the material is used to track the mass transport within the metal and liquid (corrosive) phase. The framework naturally captures intergranular corrosion by enhancing the diffusion of chromium along grain boundaries relative to the grain bulk with no special treatment for the corrosion front evolution. The formulation applies to arbitrary 2D and 3D polycrystalline geometries. The framework reproduces experimental measurements of weight loss and corrosion depth for a 9 wt% Cr ferritic/martensitic steel exposed to static lithium at 600 °C. A sensitivity analysis, varying near-surface grain density, grain size, and chromium depletion thickness, highlights the microstructural influence in the corrosion process. Moreover, the significance of saturation is considered and evaluated. Simulation results show that near-surface grain density is a deciding factor, whereas grain size dictates the susceptibility to intergranular corrosion.

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铁素体/马氏体钢晶间液态锂腐蚀的中尺度相场模型。

建立了一个相场模型来模拟铁素体/马氏体钢在液态锂环境下的晶间腐蚀。材料的铬浓度用于跟踪金属和液体（腐蚀）相内的质量传递。该框架通过增强铬沿晶界相对于晶粒体的扩散来自然地捕获晶间腐蚀，而无需对腐蚀前沿的演变进行特殊处理。该公式适用于任意二维和三维多晶几何形状。该框架再现了9wt % Cr铁素体/马氏体钢在600°C下暴露于静态锂中的失重和腐蚀深度的实验测量结果。灵敏度分析，改变近表面晶粒密度，晶粒尺寸和铬损耗厚度，突出了腐蚀过程中的微结构影响。此外，还考虑和评价了饱和的重要性。模拟结果表明，近表面晶粒密度是决定因素，而晶粒尺寸决定晶间腐蚀的敏感性。

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

npj Materials Degradation MATERIALS SCIENCE, MULTIDISCIPLINARY-

CiteScore

7.80

自引率

7.80%

发文量

审稿时长

6 weeks

期刊介绍： npj Materials Degradation considers basic and applied research that explores all aspects of the degradation of metallic and non-metallic materials. The journal broadly defines ‘materials degradation’ as a reduction in the ability of a material to perform its task in-service as a result of environmental exposure. The journal covers a broad range of topics including but not limited to: -Degradation of metals, glasses, minerals, polymers, ceramics, cements and composites in natural and engineered environments, as a result of various stimuli -Computational and experimental studies of degradation mechanisms and kinetics -Characterization of degradation by traditional and emerging techniques -New approaches and technologies for enhancing resistance to degradation -Inspection and monitoring techniques for materials in-service, such as sensing technologies