A strategy for high-entropy copper alloys composition design assisted by deep learning based on data reconstruction and network structure optimization
Fei Tan, Yanbin Jiang, Qian Lei, Hongtao Zhang, Lijun Zhang, Xiao Zhu, Guofu Xu, Yuyuan Zhao, Li Zhou
Abstract
Complex mapping relationships between high-entropy alloy compositions and performances struggle to precisely elucidate by traditional machine learning models, hindering the accurate and efficient design of high-performance alloys. In this work, a novel alloy design strategy combined self-decision deep neural network, data reconstruction with network structure optimization was proposed, which effectively enhanced the model's ability to predict the mapping relationships between high-dimensional composition spaces and mechanical properties of alloy. Compared to other machine learning methods, significantly improves model prediction accuracy (hardness model: 97.98%; strength model: 94.40%). Through above model, the mechanical properties of 308 new (CuNiMn)-X high-entropy copper alloys was studied added other elements such as Al, Ti, Cr, and Fe, which designed and produced a novel (CuNiMn)60Al20Cr20 alloy with high hardness of 474 HV, high compressive strength of 2322 MPa, and high fracture strain of 25.20%. The primary factors influencing alloy performance and their respective thresholds were also quantitatively revealed (hardness: electronegativity deviation (0.02, 0.1) and nuclear charge deviation (0, 0.25); compressive strength: mean nuclear charge (25, 30) and mean atomic radius (134 pm)). These findings provide a new perspective and approach for the design and mechanism understanding of high-performance alloys with complex compositions.