A strategy for high-entropy copper alloys composition design assisted by deep learning based on data reconstruction and network structure optimization

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 p.m.)). These findings provide a new perspective and approach for the design and mechanism understanding of high-performance alloys with complex compositions.