Optimal design of high-performance rare-earth-free wrought magnesium alloys using machine learning

Shaojie Li, Zaixing Dong, Jianfeng Jin, Hucheng Pan, Zongqing Hu, Rui Hou, Gaowu Qin
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Abstract

In this study, a small dataset of 370 datapoints of Mg alloys are selected for machine learning (ML), in which each datapoint includes five rare-earth-free alloying elements (Ca, Zn, Al, Mn and Sn), three extrusion parameters (extrusion speed, temperature and ratio), and three mechanical properties (yield strength [YS], ultimate tensile strength [UTS] and elongation [EL]). The ML algorithms, including support vector machine regression (SVR), artificial neural network, and other three methods, are employed, and the SVR has the best performance in predicting mechanical properties based on the components, and process parameters, with the mean absolute percentage error of YS, UTS, and EL being 6.34%, 4.19%, and 13.64% in the test set, respectively. The SVR model combined with multi-objective genetic algorithm are successfully used to optimize mechanical properties of four extruded alloys from Mg-Ca, Mg-Ca-Zn, Mg-Ca-Mn-Sn, and Mg-Ca-Al-Zn-Mn series alloys, respectively, and the corresponding experimental results are in good agreement with the designed ones. Furthermore, new composition schemes are proposed from a wider range of elements and processing features to match the objectives of high-strength, strength–ductility balanced, and high-ductility Mg alloys, and the four-, five- and six-element alloying schemes are provided for the candidates of new-generation wrought Mg alloys.

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利用机器学习优化设计高性能无稀土锻造镁合金
本研究选择了 370 个镁合金数据点组成的小型数据集进行机器学习(ML),每个数据点包括五种无稀土合金元素(Ca、Zn、Al、Mn 和 Sn)、三种挤压参数(挤压速度、温度和比率)以及三种机械性能(屈服强度 [YS]、极限拉伸强度 [UTS] 和伸长率 [EL])。采用支持向量机回归(SVR)、人工神经网络等三种 ML 算法,其中 SVR 在根据成分和工艺参数预测机械性能方面表现最佳,在测试集中,YS、UTS 和 EL 的平均绝对百分比误差分别为 6.34%、4.19% 和 13.64%。将 SVR 模型与多目标遗传算法相结合,成功地分别优化了 Mg-Ca、Mg-Ca-Zn、Mg-Ca-Mn-Sn 和 Mg-Ca-Al-Zn-Mn 系列合金中四种挤压合金的力学性能,相应的实验结果与设计结果吻合良好。此外,针对高强度、强度-电导平衡和高电导率镁合金的目标,从更广泛的元素和加工特征出发提出了新的成分方案,并为新一代锻造镁合金的候选材料提供了四元素、五元素和六元素合金方案。
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