Rapid prediction of the corrosion behaviour of coated biodegradable magnesium alloys using phase field simulation and machine learning

IF 3.1 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Computational Materials Science Pub Date : 2024-11-27 DOI:10.1016/j.commatsci.2024.113546
Songyun Ma , Dawei Zhang , Peilei Zhang , Bernd Markert
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Abstract

Surface protective coatings on magnesium alloys have been developed to control the corrosion rate of biomedical magnesium implants under mechano-chemical loadings. Quantifying the effect of coating’s microstructural features on the corrosion behaviour of magnesium alloys facilitates the innovative design of biodegradable magnesium implants from the surface to the bulk. The present work is devoted to exploring the applicability of deep learning methods for efficiently predicting the in vitro pitting corrosion behaviour of coated magnesium alloys. To this end, the proposed machining learning method employs different CNN models for predicting the corrosion curve and the evolution of corrosion interfaces. In the proposed deep learning method, phase field simulations with varying coating microstructures are used to generate the required corrosion datasets for training and validating the models. The method is applied to a PEO coated WE43 magnesium alloy to assess its feasibility based on in vitro experiments. Performance analysis shows that the multi-input CNN is superior to the single-input CNN in predicting the corrosion curve. The proposed encoder–decoder architecture can predict the evolution of corrosion interfaces with an average error about 1%. These results demonstrate that the proposed CNN models provide a promising alternative to conventional simulation methods for evaluating the protective performance of coatings.

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利用相场模拟和机器学习快速预测涂层可生物降解镁合金的腐蚀行为
镁合金表面保护涂层的开发是为了控制生物医学镁植入物在机械化学负荷下的腐蚀速率。量化涂层微观结构特征对镁合金腐蚀行为的影响有助于创新设计从表面到主体的可生物降解镁植入体。本研究致力于探索深度学习方法在有效预测涂层镁合金体外点蚀行为方面的适用性。为此,提出的加工学习方法采用了不同的 CNN 模型来预测腐蚀曲线和腐蚀界面的演变。在拟议的深度学习方法中,使用不同涂层微结构的相场模拟来生成所需的腐蚀数据集,以训练和验证模型。该方法应用于 PEO 涂层 WE43 镁合金,以体外实验为基础评估其可行性。性能分析表明,多输入 CNN 在预测腐蚀曲线方面优于单输入 CNN。所提出的编码器-解码器架构可以预测腐蚀界面的演变,平均误差约为 1%。这些结果表明,所提出的 CNN 模型为评估涂层的保护性能提供了一种替代传统模拟方法的可行方法。
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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