基于机器学习的层间增韧环氧树脂复合材料固化动力学建模与验证

Modeling and Validation of Machine Learning Based Curing Kinetics for Interlaminar Toughened Epoxy Resin Composites

  • 摘要: 传统固化动力学唯象模型描述热固性复合材料固化过程存在反应机制兼容性差的问题。本文采用集成装袋树机器学习算法建立层间增韧环氧树脂复合材料固化动力学模型。通过调制差式扫描量热法分离可逆与不可逆热流,剥离热塑性颗粒熔融吸热对环氧树脂固化放热表征的干扰,构建多升温速率和多初始固化度的固化数据集。利用集成装袋树模型对固化数据进行随机有放回抽样,训练多个决策树子模型,并通过对数据进行平均或多数投票实现固化动力学建模。为评估机器学习模型精度,将其预测结果与自催化模型、双重反应机制模型、扩散受限双重反应机制模型、扩散受限自催化模型等传统固化动力学唯象模型的预测结果进行比较,并与实验结果对照。研究表明,机器学习模型在整体拟合趋势和预测精度上拟合效果良好,均方根误差低至0.000012032,决定系数高达0.9998。该方法突破了传统唯象模型对反应机制的先验假设,提供一种具有强兼容性和可迁移性的通用固化动力学模型范式。

     

    Abstract: Traditional phenomenological cure kinetics models often exhibit limited compatibility with the complex reaction mechanisms involved in the curing process of thermosetting composite systems. In this work, a cure kinetics model for an interlaminar-toughened epoxy composite was developed using a Bagged decision trees machine learning algorithm. Modulated differential scanning calorimetry (mDSC) was employed to separate reversible and irreversible heat flow components, thereby eliminating the interference of thermoplastic particle melting endotherms on the characterization of the epoxy curing exotherm. A comprehensive cure dataset was constructed incorporating multiple heating rates and initial degrees of cure. The Bagged decision trees model was utilized to train multiple decision-tree sub-models via random sampling with replacement, which were subsequently integrated through averaging or majority voting to achieve robust cure kinetics modeling. To evaluate model accuracy, the prediction performance of the machine learning model was compared with that of conventional phenomenological models—including the autocatalytic model, the dual-reaction mechanism model, the diffusion-controlled dual reaction mechanism model and the dif-fusion-controlled autocatalytic model—as well as with experimental results. The results indicated that the machine learning model exhibited excellent agreement in overall fitting behavior and predictive accuracy, with a root-mean-square error (RMSE) as low as 0.000012032 and a coefficient of determination (R2) reaching 0.9998. This study demonstrates that the proposed machine learning approach eliminates the need for prior assumptions regarding reaction mechanisms, offering a generalized cure kinetics modeling framework with strong compatibility and transferability.

     

/

返回文章
返回