| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Multi-Principal Element Alloys II
|
| Presentation Title |
Simulations and Modelling of the High Temperature Yield Behavior of Compositionally Complex Concentrated BCC Alloy |
| Author(s) |
Satish Rao, Brahim Akdim, Oleg Senkov, Glenn Balbus, Eric Payton |
| On-Site Speaker (Planned) |
Satish Rao |
| Abstract Scope |
Atomistic simulations, using Johnson-Zhou and/or Snap potentials, of the core structure and mobility of ½[111] screw, edge and mixed dislocations in complex concentrated BCC alloys are presented. The core structure and its variations obtained for screw dislocations in NbTiZr using atomistic simulations are compared with first-principles calculation results and good agreement is found. Molecular Dynamics results show that a moving screw dislocation leaves behind interstitial and vacancy dipoles in these alloys. Average solute-dislocation core interaction energies are used to determine the critical stress for the motion of screw dislocations as a function of temperature using Rao- Suzuki model of kink migration / kink-kink collisions controlled mobility, developed for concentrated BCC random alloys. Edge dislocation mobilities in these alloys are modelled using the Maresca-Curtin model. The model results on yield behavior are shown to be in good agreement with experimental data in selected BCC complex concentrated alloys. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, High-Temperature Materials, Modeling and Simulation |