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

Autor: Fei Tan, Yanbin Jiang, Qian Lei, Hongtao Zhang, Lijun Zhang, Zhu Xiao, Guofu Xu, Yuyuan Zhao, Zhou Li
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: Journal of Materials Research and Technology, Vol 31, Iss , Pp 1326-1336 (2024)
Druh dokumentu: article
ISSN: 2238-7854
DOI: 10.1016/j.jmrt.2024.06.037
Popis: 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.
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