Aluminum Alloy Design by La Amount through Machine Learning and Experimental Verification

IF 17.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-07-05 DOI:10.3365/kjmm.2024.62.7.524
Kyeonghun Kim, Jong-Goo Park, Haewoong Yang, Uro Heo, NamHyun Kang
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Abstract

The development and design of metal materials have been carried out through experimental method and simulation based on theoretic. Recently, with the widespread application of artificial intelligence (AI) in various fields, many studies have been actively incorporating artificial intelligence into the field of metal material design. Especially, many studies have been reported on adding rare-earth elements to aluminum alloys to improve corrosion resistance and mechanical properties using AI. However, the performance evaluation of artificial intelligence through experimental verification has not yet been reported related to metal material. In this study, we investigated the artificial intelligence algorithm capable of predicting the hardness based on the composition ratio of aluminum alloy with added Lanthanum (La) using experimental data and conducted a comparative analysis of the predicted hardness values. The machine learning models employed Adaptive Boosting Regressor (ADA), Gradient Boosting Regressor (GBR), Random Forest Regressor (RF), and Extra Trees Regressor (ET). The dataset comprised 1,210 encompassing 9 composition elements constituting the alloy. In the result, the findings revealed that the ET model demonstrated the most effective performance in predicting hardness. In addition, the microstructure became fine and showed the highest hardness at 0.5 wt.% La and hardness tended to decrease as the amount of La increased. The ET model showed excellent performance in predicting this tendency through experimental verification.
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通过机器学习和实验验证拉量铝合金设计
金属材料的开发和设计一直是通过实验方法和基于理论的模拟来进行的。近年来,随着人工智能(AI)在各个领域的广泛应用,许多研究也积极将人工智能融入金属材料设计领域。尤其是利用人工智能在铝合金中添加稀土元素以提高耐腐蚀性和机械性能的研究,更是屡见报端。然而,通过实验验证对人工智能进行性能评估的研究还未见与金属材料相关的报道。在本研究中,我们利用实验数据研究了能够根据添加镧(La)的铝合金的成分比预测硬度的人工智能算法,并对预测的硬度值进行了比较分析。机器学习模型采用了自适应提升回归器(ADA)、梯度提升回归器(GBR)、随机森林回归器(RF)和额外树回归器(ET)。数据集由 1210 个构成合金的 9 个成分元素组成。结果显示,ET 模型在预测硬度方面表现最为有效。此外,在 0.5 wt.% La 时,微观结构变得精细并显示出最高的硬度,随着 La 含量的增加,硬度呈下降趋势。通过实验验证,ET 模型在预测这一趋势方面表现出色。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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