Inverse design of high-strength medium-Mn steel using a machine learning-aided genetic algorithm approach

Abstract

To develop medium-Mn steels with an ultimate tensile strength (UTS) exceeding 2 GPa and excellent ductility, we created a highly accurate UTS prediction machine learning (ML) model using a boosted decision tree model and 1520 dataset of tensile properties of medium-Mn steels with micro-alloying elements. We also optimized the hyper-parameters of a genetic algorithm (GA) using the Shannon diversity index to enhance search efficiency while retaining diversity. In a high-dimensional search space with millions of potential combinations, the ML-GA approach efficiently identified diverse chemical compositions and austenitizing conditions to achieve UTSs above 2 GPa. The k-means clustering method then grouped them into five distinct specimens based on similarities. These five specimens, fabricated using inversly designed chemical compositions and austenitizing temperatures, successfully exhibited UTSs exceeding 2 GPa and greater ductility compared to hot-stamped C steels. These excellent tensile properties were attributed to grain refinement resulting from the low austenitizing temperature and the pinning effect of micro-alloying element carbides, such as TiC and VC.