|About this Abstract
||2020 TMS Annual Meeting & Exhibition
||High Entropy Alloys VIII
||Simulation Studies of Grain Boundary Diffusion in a Model HEA Alloy
||Axel Seoane, Diana Farkas
|On-Site Speaker (Planned)
We report atomistic simulation studies of grain boundary diffusion in a model high entropy FCC alloy. The simulations utilize empirical interatomic potentials and massively parallel molecular dynamics. A main focus is the role of the local random composition in the in diffusion process. We study diffusion along a Σ=5 (210) symmetric tilt boundary. Grain boundary diffusion coefficients and activation energies were computed directly from the observed atomic displacements for each of the components in the alloy. These results are compared with identical simulations in each of the pure components as well as an average atom potential. The latter reproduces the overall properties of the model complex alloy without the randomness in composition. We show that the diffusion process is significantly slower in the complex random than in the corresponding average atom material. The implications for the overall diffusion properties of high entropy alloys are discussed.
||Planned: Supplemental Proceedings volume; Planned: Supplemental Proceedings volume