基于机器学习的生物可降解锌合金力学性能预测

  • 郭传平 ,
  • 石尘尘 ,
  • 刘鹏 ,
  • 高冬芳 ,
  • 赵洋洋 ,
  • 乔阳
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  • 1 济南大学 机械工程学院 济南 250022

    2 山东大学第二医院 基础医学研究所 济南 250033

    3 山东大学第二医院 创伤骨科 济南 250031

收稿日期: 2024-09-27

  修回日期: 2024-12-08

  网络出版日期: 2024-12-17

基金资助

山东省自然科学基金项目;山东省自然科学基金项目;国家自然科学基金项目

Prediction of mechanical properties of biodegradable zinc alloys based on machine learning

  • GUO Chuan-Beng ,
  • SHI Chen-Chen ,
  • LIU Feng ,
  • GAO Dong-Fang ,
  • ZHAO Xiang-Xiang ,
  • QIAO Yang
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  • 1 School of Mechanical Engineering, University of Jinan, Jinan 250022, China

    2 Institute of Medical Sciences, Second Hospital of Shandong University, Jinan 250033, China

    3 Trauma Orthopedics, Second Hospital of Shandong University, Jinan 250031, China

Received date: 2024-09-27

  Revised date: 2024-12-08

  Online published: 2024-12-17

摘要

锌合金作为医用植入材料需具备高强度和一定的硬度以支持骨骼再生。因此,明确满足可降解医用植入器械力学性能的锌合金设计准则具有重要意义。本工作通过实验研究与文献搜集获取了Zn-Mg-Mn合金的力学性能数据,采用面向性能的机器学习(ML)模型,预测了Zn-Mg-Mn合金在不同元素种类与含量、不同合金制备工艺下的抗压屈服强度(CYS)与硬度,进而探究了元素种类与含量对材料微观结构与宏观力学性能的影响规律。本模型基于现有数据集通过对比7种不同ML算法,确定了基于最小近邻(KNN)算法的预测能力最佳(准确率达90%以上)。为进一步验证模型预测的准确性,采用了随机法选取数据集以外的数据与模型结果进行对比分析。同时,应用SHAP值分析方法定量研究了Zn-Mg-Mn合金中2种合金元素、制备工艺与CYS、硬度之间的相关性,发现Mg元素对合金CYS和硬度的影响最大。后续通过微观结构表征分析了单个元素对材料力学性能的影响规律,结果表明元素添加导致的新相(Mg2Zn11,MgZn13)形成对力学性能具有显著影响。最后,根据研究结果提出了Zn-Mg-Mn合金满足医用植入材料的成分配比范围,其中Mg在2.25%~2.50% (质量分数,下同),Mn在2.50%~3.50%时,合金抗压屈服强度和硬度达到植入物标准。

本文引用格式

郭传平 , 石尘尘 , 刘鹏 , 高冬芳 , 赵洋洋 , 乔阳 . 基于机器学习的生物可降解锌合金力学性能预测[J]. 金属学报, 0 : 0 -0 . DOI: 10.11900/0412.1961.2024.00332

Abstract

Recent studies indicate that zinc alloys are preferred in biodegradable metal materials owing to their unique biodegradability and biocompatibility. However, their mechanical properties are relatively insufficient; thus, it is crucial to design zinc alloys that meet the mechanical performance implantation standards required for application in biomedicine. The traditional alloy design method depends on experience and trial and error for low efficiency and high cost. In recent years, the rapid development of artificial intelligence has provided new tools and methods for material science. Machine learning (ML), a subset of artificial intelligence, offers new ideas for material design and prediction. This study obtained the mechanical property data of the Zn Mg Mn alloy through experimental investigation and literature review. A performance-oriented ML model was used to predict the compressive yield strength (CYS) and hardness of the Zn Mg Mn alloy, considering various element types and contents and different alloy preparation processes. Furthermore, the influence of the element types and contents on the microstructure and macroscopic mechanical properties of the material was explored. This model used an existing dataset and compared it with seven different ML algorithms to determine that the k-nearest neighbor algorithm has the best predictive ability, exceeding 90%. To further validate the accuracy of the model prediction, a random method was used to select data beyond the dataset for comparative analysis with the model results. Simultaneously, the Shapley Additive exPlanations was applied to quantitatively examine the correlation between the two alloying elements, the preparation process, the CYS, and the hardness in the Zn Mg Mn alloy. The Mg element was determined to significantly impact the alloy’s CYS and hardness. Finally, the influence of individual elements on the mechanical properties of the materials was analyzed through microstructure characterization; the results showed that the formation of new phases (Mg2Zn11 and MgZn13) due to adding these elements significantly affected the mechanical properties. Based on the research results, this study proposed a composition ratio range for the Zn Mg Mn alloy to satisfy the mechanical performance standards required for medical implant materials. When Mg is between 2.25% and 2.50% (mass fraction, the same below) and Mn is between 2.50% and 3.50%, the CYS and hardness of the alloy comply with the implant standards.

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