Abstract
Composite materials offer versatile properties readily tailored to diverse applications, yet predicting their mechanical behavior remains challenging due to the complex interplay between morphology and performance. Here, we address these challenges by leveraging convolutional neural networks (CNNs) to analyze X-ray computed tomography (CT) images of cold-sintered polymer-ceramic composites for correlation with mechanical performance. Morphological features as inputs for traditional machine learning models yielded limited predictive accuracy. Application of transfer learning from pretrained CNNs improved prediction accuracy. The model was refined with Bayesian hyperparameter optimization and ensemble learning techniques to achieve R2 values of up to 0.94 on unseen data. Additionally, we utilized the Z-stack nature of X-ray CT imaging -- where multiple 2D slices from a 3D dataset provide additional insights -- to apply a meta-learning approach for final predictions. This method enabled the prediction of intrinsic 3D properties from 2D slices that improved R2 values to 0.95. This work demonstrates alternative approaches with machine learning using small datasets to uncover morphology-structure-property relationships in composites and highlights the potential of computer vision in property predictions for materials development.
Supplementary materials
Title
Supporting Information
Description
A schematic figure illustrating the stratified group k-fold cross-validation process, a detailed breakdown of datasets used in each cross-validation fold, a scatter plot of Bayesian hyperparameter optimization across grid points, an explanation of overestimated predictions from Model 1, and PCA visualizations for each model highlighting feature importance and variations.
Actions
Supplementary weblinks
Title
Codes and Data
Description
The complete raw data and codes used in this work for analysis and visualization are publicly
available on Zenodo.
Actions
View