Advanced machine learning analysis of radiation hardening in reduced-activation ferritic/martensitic steels

IF 3.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Computational Materials Science Pub Date : 2025-02-12 DOI:10.1016/j.commatsci.2025.113773
Pengxin Wang , Qing Tao , Hongbiao Dong , G.M.A.M. El-Fallah
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Abstract

This study uses advanced machine learning models to investigate the radiation hardening behaviour of reduced activation ferritic martensitic (RAFM) steels. An extensive dataset spanning nearly four decades (1985 to 2024) and covering various steel series, including Eurofer97, F82H, T91, OPTIFER, JLM, JLF, and CLAM, was extensively analysed. Multiple models, including Gradient Boosting Decision Trees (GBDT), XGBoost, Random Forests (RF), ResMLP, and One-Dimensional Convolutional Neural Networks (1D-CNN), were employed with hyperparameter optimisation to maximise predictive accuracy. Among these models, GBDT achieved the highest accuracy (R2: 0.87). The findings reveal significant impacts from elements like Ta, W, and Cr, as well as test temperature and irradiation dose. Radiation hardening peaks at 315 °C due to increased dislocation loops and precipitates but declines above 375 °C as these features diminish and martensitic laths recover, softening the steel. The hardening response to radiation dose shows an increase up to 20 dpa, a slight decrease between 20–35 dpa, and stabilising thereafter. Additionally, W and Cr enhance radiation hardening up to 375 °C, with Cr exhibiting a stronger effect, while Ta is observed to mitigate hardening. These insights contribute to a deeper understanding of radiation effects on RAFM steels, offering a predictive framework for material design and optimisation in nuclear environments. This work highlights machine learning as a powerful tool for advancing materials science and enhancing predictive capability for radiation behaviour in steels.

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低活化铁素体/马氏体钢辐射硬化的先进机器学习分析
本研究使用先进的机器学习模型来研究低活化铁素体马氏体(RAFM)钢的辐射硬化行为。广泛的数据集跨越近四十年(1985年至2024年),涵盖各种钢铁系列,包括Eurofer97、F82H、T91、OPTIFER、JLM、JLF和CLAM,进行了广泛的分析。多个模型,包括梯度增强决策树(GBDT), XGBoost,随机森林(RF), ResMLP和一维卷积神经网络(1D-CNN),采用超参数优化,以最大限度地提高预测精度。其中,GBDT模型的准确率最高(R2: 0.87)。研究结果揭示了Ta、W和Cr等元素以及测试温度和辐照剂量对其有显著影响。由于位错环和析出物的增加,辐射硬化在315°C时达到峰值,但在375°C以上随着这些特征的减少和马氏体板条的恢复而下降,使钢软化。对辐射剂量的硬化响应在20 - 35 dpa之间略有下降,之后趋于稳定。此外,W和Cr在375°C时增强了辐射硬化,Cr的作用更强,而Ta的作用更弱。这些见解有助于更深入地了解辐射对RAFM钢的影响,为核环境中的材料设计和优化提供预测框架。这项工作强调了机器学习作为推进材料科学和增强钢辐射行为预测能力的强大工具。
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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