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基于機器學習元素特征量分析的析出強化銅合金的理性設計

Rational Design of Precipitation-Strengthened Copper Alloys via Machine Learning Analysis of Elemental Feature Quantities

  • 摘要: 高端制造用析出強化型銅合金的力學和導電性能相互制約,綜合性能提升一直是一個重大挑戰。本文采用機器學習方法進行元素特征量篩選,挖掘影響合金性能的關鍵物理化學特征,實現多元復雜合金的高性能設計。結合相關性篩選、遞歸消除和窮舉法篩選,篩選得到影響時效析出強化型銅合金硬度的5個關鍵合金因子和影響導電率的5個關鍵合金因子,以關鍵合金因子為輸入,分別構建了誤差小于6 %的硬度預測模型和誤差小于5 %的導電率預測模型。應用預測模型,設計了新型合金Cu-2.92Ni-0.92Co-0.74Si。參照Cu-Ni-Co-Si系合金的工業化生產流程和條件進行實驗驗證,新合金的抗拉強度和導電率分別達到868 MPa和45.6 %IACS,實現了相互制約的合金力電性能的同步提升。

     

    Abstract: The inherently interdependent mechanical and electrical properties of precipitation-strengthening copper alloys for advanced manufacturing, make the simultaneous enhancement of these properties a significant challenge. This study using machine learning techniques to perform elemental feature selection, uncovers the key physicochemical characteristics that govern alloy performance, thereby enabling the high-performance design of multicomponent and complex alloys. Integrating correlation screening, recursive elimination, and exhaustive search methods, the study systematically identifies five key alloy factors influencing hardness and five key alloy factors affecting electrical conductivity (EC) in precipitation-strengthened copper alloys. The identified five key alloy factors affecting strength primarily influence hardness by affecting the outcomes of solid solution strengthening and precipitation strengthening. In contrast, the key alloy factors influencing EC regulate free electron density, adjust the mean free path of electron migration, and affect electron scattering, thereby influencing the EC of copper alloys. Utilizing these key alloy factors as inputs, support vector regression (SVR) models for predicting hardness and EC are developed. Through grid search optimization, the hardness prediction model achieved an error of less than 6%, while the EC model achieved an error of less than 5%. With the candidate compositions are reduced to a limited number of elements in consideration of sustainable development and large-scale industrial production costs, and limit on the content of the expensive element cobalt to below 1 wt.% imposed, the candidate compositions input into the prediction models, the alloys with optimal overall performance are selected. As a result, a novel alloy Cu-2.92Ni-0.92Co-0.74Si is designed. Experimental validation carried out under the industrial production processes for Cu-Ni-Co-Si alloys demonstrated that the newly developed alloy achieved an ultimate tensile strength of 868 MPa and an EC of 45.6% IACS, representing a synergistic enhancement of the typically competing mechanical and electrical properties observed in conventional alloys. Characterization results indicate that the alloy has an average grain size of 10.4 μm. The primary reason for the excellent mechanical and electrical properties of the newly developed alloy is the presence of a high density of fine, uniformly dispersed precipitates, which provide a precipitation strengthening effect while depleting solute atoms in the matrix, thereby enhancing EC. The average diameter of the precipitates in the alloy is 9.84 nm. Additionally, work hardening and grain boundary strengthening are also crucial factors contributing to the improvement of the alloy's mechanical properties. This study by machine learning techniques through predictive modeling and experimental validation to optimize the composition of precipitation-strengthened copper alloys, achieves simultaneous improvements in mechanical strength and EC.

     

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