Predictive Analysis of Wettability of Al–Si Based Multiphase Alloys and Aluminum Matrix Composites by Machine Learning and Physical Modeling

Wetting of multiphase alloys and their composites depends on multiple parameters, and these relationships are difficult to predict from first principles only. We study correlations between the composition, surface finish, and microstructure of Al–Si alloys (Si content 7–50%) and Al metal matrix composites (MMCs) with graphite (Gr), NiAl₃, and SiC and the water contact angle (CA) experimentally, theoretically, and with machine learning (ML) techniques. Their surface properties were modified by mechanical abrasion, etching, and addition of alloying elements. An ML approach was developed to investigate correlations between the predictor variables (properties of the materials) and the CA. Theoretical models of wetting of rough surfaces (Wenzel, Cassie–Baxter, and their modifications) do not fully capture the CA, while ML models follow the experimental values. A full factorial design is utilized with combinations of all levels of the predictor factors (grit size, silicon percentage, droplet size, elapsed time, etching, reinforcing particles). To map the predictor variables to the response variables, 409 experimental data points were applied to train and test various supervised ML models, namely, regression, artificial neural network (ANN), chi-square automatic interaction detection (CHAID), extreme gradient boosting (XGBoost), and random forest. The correlations between the most significant factors and CA are explored through visualization techniques. The most accurately trained model shows a strong positive linear correlation (r > 0.9) between predicted and observed CA values in the test set, indicating the robustness of the model. The experimental measurements and artificial intelligence results demonstrate that CA increases following mechanically abrading the surface, etching, and adding Gr to the surface. The ML methods are promising to predict wetting properties and to provide a deeper understanding of the physical phenomena associated with the wettability of metallic alloys and their metal matrix composites.