Composition Design of a Novel High-Temperature Titanium Alloy Based on Data Augmentation Machine Learning

The application fields of high-temperature titanium alloys are mainly concentrated in the aerospace, defense and military industries, such as the high-temperature parts of rocket and aircraft engines, missile cases, tail rudders, etc., which can greatly reduce the weight of aircraft while resisting high temperatures. However, traditional high-temperature titanium alloys containing multiple types of elements (more than six) have a complex impact on the solidification, deformation, and phase transformation processes of the alloys, which greatly increases the difficulty of casting and deformation manufacturing of aerospace and military components. Therefore, developing low-component high-temperature titanium alloys suitable for hot processing and forming is urgent. This study used data augmentation (Gaussian noise) to expedite the development of a novel quinary high-temperature titanium alloy. Utilizing data augmentation, the generalization abilities of four machine learning models (XGBoost, RF, AdaBoost, Lasso) were effectively improved, with the XGBoost model demonstrating superior prediction accuracy (with an R² value of 0.94, an RMSE of 53.31, and an MAE of 42.93 in the test set). Based on this model, a novel Ti-7.2Al-1.8Mo-2.0Nb-0.4Si (wt.%) alloy was designed and experimentally validated. The UTS of the alloy at 600 °C was 629 MPa, closely aligning with the value (649 MPa) predicted by the model, with an error of 3.2%. Compared to as-cast Ti1100 and Ti6242S alloy (both containing six elements), the novel quinary alloy has considerable high-temperature (600 °C) mechanical properties and fewer components. The microstructure analysis revealed that the designed alloy was an α+β type alloy, featuring a typical Widmanstätten structure. The fracture form of the alloy was a mixture of brittle and ductile fracture at both room and high temperatures.