Machine learning driven design of high-performance Al alloys

Aluminum (Al) alloys with both high strength and thermal conductivity (TC) are promising structural materials for wide application across different industries. Yet, design of such alloys is challenging, since strength and TC often share a trade-off. In this paper, we build prediction models for TC and ultimate tensile strength (UTS) of Al alloys using eXtreme gradient boosting (XGBoost) and support vector machine (SVM) algorithms, respectively. The models take physical descriptors from the alloy composition into account. Lasso and Gini Impurity algorithms were adopted for feature engineering. Guided by the models, an Al-2.64Si-0.43Mg-0.10Zn-0.03Cu alloy with TC over 190 W·m-1·K-1 and UTS over 220 MPa was designed. The alloy was fabricated and tested by experiment, and its UTS and TC are close to the model prediction. Microstructure characterization suggests that the fragmented and spherical Si phase, along with a few non-spherical Si phases, may be a key reason for the improved properties.