基于热力学计算与机器学习的增材制造镍基高温合金裂纹敏感性预测模型
收稿日期: 2023-02-10
修回日期: 2023-04-21
网络出版日期: 2023-05-05
基金资助
国家科技重大专项项目(Y2019-VII-0011-0151);国家科技重大专项项目(P2022-C-IV-002-001)
Modeling of Crack Susceptibility of Ni-Based Superalloy for Additive Manufacturing via Thermodynamic Calculation and Machine Learning
Received date: 2023-02-10
Revised date: 2023-04-21
Online published: 2023-05-05
Supported by
National Science and Technology Major Project(Y2019-VII-0011-0151);National Science and Technology Major Project(P2022-C-IV-002-001)
利用实验和热力学计算研究了镍基高温合金的增材制造裂纹敏感性,发现镍基高温合金增材制造裂纹以热裂纹为主,热裂纹敏感性系数(HSC)与实测裂纹面积分数相关性高。基于实验数据和热力学计算结果,建立高温合金裂纹敏感性的机器学习预测模型,该模型具有良好的预测和泛化能力,在训练集上和验证集上的相关性系数(R2)分别达到0.96和0.81,可以快速有效地计算出高温合金的热裂纹敏感性。采用SHapley Additive exPlanation (SHAP)方法对模型中的输入参数进行特征分析,获得了合金元素对裂纹敏感性的影响规律,并根据SHAP值对合金元素的裂纹敏感性影响进行了排序。结果表明,沉淀强化元素Ti、Al和微量元素C、B对镍基高温合金的裂纹敏感性的影响较大,其余合金元素对裂纹敏感性的综合影响排序为:Re > W > Cr > Mo > Ta > Co。
穆亚航 , 张雪 , 陈梓名 , 孙晓峰 , 梁静静 , 李金国 , 周亦胄 . 基于热力学计算与机器学习的增材制造镍基高温合金裂纹敏感性预测模型[J]. 金属学报, 2023 , 59(8) : 1075 -1086 . DOI: 10.11900/0412.1961.2023.00050
The rapid development of aeroengines has led to high demand heat resistant blades. As a result, fabricating techniques and designing materials have taken center stage in producing aeroengines. Additive manufacturing (AM), which integrates design and manufacturing, has advantages in preparing blades with complex cavity structures. However, commercial Ni-based superalloys have poor additive manufacturability and are prone to defects such as cracks, severely hindering the development of the AM of superalloy blades. Therefore, finding a high-performance superalloy with excellent additive manufacturability is necessary. To alleviate this problem, many crack susceptibility criteria and test methods have recently been proposed to evaluate the crack susceptibility of alloys from a compositional and/or process point of view. However, the rapid prediction of the crack susceptibility of superalloys remains a challenge, hindering the widespread screening and designing of superalloys for AM. Nevertheless, using machine learning (ML) in conjunction with thermodynamic calculation may effectively predict the properties of alloys, and this combination is anticipated to grow as an important tool for designing alloys with low crack susceptibility for AM. Based on the aforementioned context, this study reports the development of an ML prediction model after combining experimental data and thermodynamic calculations to establish a Ni-based alloy crack susceptibility database. This ML model has an excellent prediction effect (R2 = 0.96 on the training set and R2 = 0.81 on the validation set) and enables accurate prediction of the crack susceptibility of the experimental alloys and published alloys. It is verified that a hot crack is the most typical type of crack in Ni-based superalloys during AM. The influence of elements on crack susceptibility is also analyzed using the SHapley Additive exPlanation method. Precipitation-strengthening (Al and Ti) and trace (C and B) elements greatly influence crack susceptibility. A small amount of Re can inhibit cracks, but excessive amounts produce a topologically close-packed phase, deteriorating the crack susceptibility and mechanical properties. The influence of other alloying elements on crack susceptibility is roughly ranked as follows: Re, W, Cr, Mo, Ta, and Co, which can provide a screening method for the composition design of subsequent AMed superalloys.
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