| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Phase Stability in Extreme Environments
|
| Presentation Title |
Density Functional Study of Short-range Order in Cantor Alloy and Its Effect on Point-defects |
| Author(s) |
Artur Tamm, Shinyoung Kang |
| On-Site Speaker (Planned) |
Artur Tamm |
| Abstract Scope |
High entropy alloys (HEA) is a class of materials which shows improved properties compared to the individual elements making up the alloy. For example, better corrosion resistance, improved radiation tolerance and hydrogen resistance has been observed.
HEAs are solid solutions in single phase and are stabilised by configurational entropy due to many elements. Moreover, the major assumption is that the elements in the HEA are randomly distributed.
Our density functional theory based study of Cantor alloy shows strong evidence of short-range order (SRO). This SRO affects the point-defect properties such as vacancy formation energy. HEAs response to hydrogen is important for its use in extreme environments, such as nuclear reactor, where hydrogen build-up in the material can lead to its early failure. We investigate the role of SRO on the hydrogen embrittlement resistance of the material. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, High-Entropy Alloys, Modeling and Simulation |