基于多目标优化机器学习算法的Mo基合金辐照性能影响分析

Analysis of Irradiation Effects on Molybdenum-Based Alloys Based on Multi-objective Optimized Machine Learning Algorithms

  • 摘要: Mo基合金是核反应堆关键候选结构材料,现有Mo基合金设计依赖经验性成分调控,缺乏对合金关键元素与辐照剂量协同作用机制的系统量化分析,导致无法有效预测多元素掺杂对合金辐照后抗拉强度-延伸率权衡关系的影响。本研究基于254组实验数据,采用主成分分析消除高维特征的多重共线性,建立融合均方误差与拟合优度的复合损失函数平衡性能权衡,基于构建的损失函数实现多目标优化。实现了Mo基合金辐照后抗拉强度与延伸率的多目标协同预测,研究建立了Mo基合金辐照性能的高精度CNN预测模型(R2>0.8),验证了数据驱动方法的有效性。分析了关键合金元素与辐照条件对合金辐照后力学性能的影响,分析表明,Re显著增强辐照后抗拉强度,而Ti、Zr在提升强度的同时轻微降低辐照后延伸率,为抗辐照Mo基合金设计提供了成分优化新范式。

     

    Abstract: Molybdenum-based alloys, valued for their high-temperature strength and creep resistance, represent key candidate structural materials for core components in next-generation nuclear fission and fusion reactors. However, current approaches to designing these alloys remain largely empirical, focusing on compositional adjustments guided by trial-and-error. A critical gap persists: the lack of systematic, quantitative understanding of the synergistic mechanisms between key alloying elements and varying irradiation conditions, particularly irradiation dose. Addressing this predictive limitation is paramount for the accelerated development of high-performance, radiation-resistant alloys. To bridge this gap, this study leveraged a comprehensive dataset comprising 254 samples covering different alloy compositions, irradiation doses, and post-irradiation tensile properties. Recognizing the inherent complexity and potential multicollinearity among numerous high-dimensional features (alloying elements and irradiation parameters), principal component analysis (PCA) was strategically employed. This dimensionality reduction technique effectively extracted the most significant information while mitigating redundancy and collinearity among input variables. The core predictive modeling innovation involved developing a deep learning framework based on convolutional neural networks (CNNs). Crucially, the CNN was trained using a novel composite loss function meticulously designed to balance performance objectives. This function integrated both mean squared error (MSE) and a measure of goodness-of-fit (R2). This synergistic loss formulation enabled effective multi-objective optimization during the training phase, simultaneously targeting high accuracy in predicting both UTS and EL. The resultant CNN model demonstrated high predictive power for the complex irradiation response of molybdenum-based alloys, achieving a remarkable coefficient of determination (R2>0.8) on key performance metrics. This robust performance validates the effectiveness of the proposed PCA-CNN framework and underscores the potential of data-driven approaches for predicting complex material properties under extreme environments. Analysis reveales that Re significantly enhances post-irradiation tensile strength, while Ti and Zr improve strength but slightly reduce elongation. This provides a new paradigm for compositional optimization in radiation-resistant molybdenum alloy design. This research establishes a high-fidelity, data-driven paradigm for predicting and optimizing the irradiation performance of complex multi-component alloys. Moving beyond empirical composition tuning, provides a powerful tool to systematically map the intricate relationships between composition, irradiation dose, and critical mechanical properties. Overall, this work paves the way for accelerated, targeted composition design strategies to achieve superior radiation resistance in molybdenum-based alloys for demanding nuclear applications.

     

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