Tuning Chemical Distribution in Complex Concentrated Alloys via Thermo-Mechanical Processing

Thermo-mechanical processing of metallic alloys often involves severe plastic deformation (SPD), which modifies the microstructure and, consequently, the material properties. While recent research has highlighted the role of chemical distribution on the properties of complex concentrated alloys (CCAs), the feasibility of tuning their chemical distribution via SPD remains unclear. Here we employ high-fidelity large-scale atomistic simulations of dislocation-mediated plastic deformation combined with information theory and machine learning to investigate the influence of dislocation-mediated SPD on chemical distribution in CCAs. Our findings reveal that the interaction between dislocations and local chemical configurations can induce nonequilibrium chemical distributions in CCAs, with strain rate and temperature being critical driving parameters governing the evolution and final distribution. Our work suggests that controlled SPD can be leveraged to tune chemical distribution in CCAs, thereby optimizing their materials properties.