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Explainable machine learning-enabled dual-objective design ofγ'phase characteristic parameters inγ'-strengthened Co-based superalloys
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作者 Linlin Sun Qingshuang Ma +6 位作者 Chenghao Pei Huiwen Yao Xili Liu Jie Xiong Chenxi Liu Huijun Li Qiuzhi Gao 《npj Computational Materials》 2025年第1期3437-3452,共16页
The high-temperature performance of Co-based superalloys is primarily dictated by the coarsening kinetics and volume fraction of theγ′phase.To simultaneously optimize these two interrelated microstructural parameter... The high-temperature performance of Co-based superalloys is primarily dictated by the coarsening kinetics and volume fraction of theγ′phase.To simultaneously optimize these two interrelated microstructural parameters,we propose a dual-objective design framework that integrates explainable machine learning(XML),multi-fidelity data augmentation,and SHapley Additive exPlanations(SHAP)-based interpretability.Forγ′phase coarsening rate constant(Kr),a small experimental dataset was expanded using medium-fidelity simulations and further balanced with low-fidelity synthetic samples.Forγ′volume fraction(V_(γ′)),synthetic oversampling was applied to a larger dataset to mitigate distribution imbalance.ML models trained on these augmented datasets achieved high predictive accuracy,with SHAP analysis providing interpretable insights.Guided by these insights,several new compositions were proposed and validated.The optimal composition,Co-30Ni-10Al-3Ti-4Ta-5Cr-2Mo-1V(at.%),achieves a low Kr of 0.756±0.06 nm^(2)·s^(-1)and a high V_(γ′)of exceeding 70%at 1000°C,while also fulfills multiple other critical design criteria,offering a promising route for next-generation Co-based superalloys. 展开更多
关键词 coarsening kinetics explainable machine learning phase shapley additive explanations shap based dual objective design volume fraction explainable machine learning xml multi fidelity microstructural parameterswe
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