About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
Investigations of Possible Sluggish Diffusion in High Entropy Alloys |
Author(s) |
Axel Seoane, Wenjiang Huang, Diana Farkas, Xian-Ming Bai |
On-Site Speaker (Planned) |
Xian-Ming Bai |
Abstract Scope |
In high entropy alloys (HEAs), sluggish diffusion is proposed as one of the core properties due to the chemical-disorder-induced complex potential energy landscape. Many of the unique properties in HEAs are attributed to sluggish diffusion such as strength retention at high temperatures, good radiation and corrosion resistance. However, the existence of sluggish diffusion is controversial. Here we use molecular dynamics simulations to study the possible sluggish diffusion in an equiatomic FeNiCrCoCu model HEA. The results are compared with its average atom counterpart to determine if the diffusion is sluggish. Our results show that the vacancy-mediated self-diffusion in the bulk HEA is not sluggish, consistent with many experimental observations. However, we found that the diffusion in a 5 grain boundary is sluggish, likely due to the strong trapping effects in the 2D confined space. The sluggish diffusion is also found for interstitial diffusion and vacancy diffusion in non-equiatomic compositions. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, Other |