| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Multi-Principal Element Alloys II
|
| Presentation Title |
Computational Studies of Interfaces in High Entropy Ceramics. |
| Author(s) |
Sam Daigle, Donald W. Brenner |
| On-Site Speaker (Planned) |
Donald W. Brenner |
| Abstract Scope |
In conventional alloys, stresses at grain boundaries, free surfaces, dislocations and related defects can attract solute atoms and in some cases induce ordering. Using first principles calculations and analytic modeling, we have been exploring whether interfaces and defects in high-entropy carbides induce similar chemical ordering, and if this ordering changes the interfacial stability and mechanical properties. Of particular interest are energies to form twins, whether ordering around dislocations increases (or decreases) the barrier for motion, and the effects of ordering on grain boundary energy, de-cohesion, and inter- versus trans-granular fracture. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Mechanical Properties, |