About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Multi-Principal Element Alloys IV: Mechanical Behavior
|
| Presentation Title |
E-27: The Rule of Mixtures, A New Evans-Polanyi-Semenov
Relation, and Twinning Predictions for High Entropy Transition Metal Ceramics |
| Author(s) |
Marium Mostafiz Mou, Tarek Haque, Sam Daigle, Donald W. Brenner |
| On-Site Speaker (Planned) |
Marium Mostafiz Mou |
| Abstract Scope |
High entropy ceramics, with five or more equi-molar components on crystal sublattices, offer exceptional mechanical properties but are challenging to understand and predict. In this work, we employed first-principles calculations to investigate the {111} twinning properties of Group IVB, VB, and VIB high-entropy transition metal carbides. Our findings indicate that twin boundaries can be predicted using an optimized rule-of-mixtures based on the properties of individual metal carbide constituents near the twin plane. Additionally, we discovered that the unstable twin energy, a barrier along the ⟨112⟩{111} gamma surface slip path, can be related to the twinning and stacking fault energies via an Evans-Polanyi-Semenov(EPS) relation. Typically used to describe a linear relationship between activation energy and heat of reaction, this new application of the EPS relation provides analytical relations for twinnability as a function of valence electron concentration for these materials. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, Mechanical Properties, Ceramics |