|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Advances in Multi-Principal Elements Alloys X
||The impact of short-range order on atomic diffusions in multi-principal elements alloys
||Bin Xing, William J. Bowman, Penghui Cao
|On-Site Speaker (Planned)
Vacancy diffusion is an essential process that has direct impacts on mechanical behaviors of materials such as creep. Here we studied the role of chemical short-range orders in vacancy diffusions in two classes of multi-principal elements alloys, including fcc CoCrNi and refractory MoNbTa through atomistic simulations. Our results show that, in the presence of chemical short-range orders, vacancy diffusions considerably slow down and the corresponding trajectories are more localized. Additionally, transition state calculations reveal that vacancy diffusion energy barriers are modified and enhanced to different degrees, depending on the associated element identity and its degree of ordering. The results indicate that controlling short-range orders can be an effective approach for manipulating vacancy kinetics and ion diffusivity.