| About this Abstract |
| Meeting |
3rd World Congress on High Entropy Alloys (HEA 2023)
|
| Symposium
|
HEA 2023
|
| Presentation Title |
Simulations and Modelling of the High Temperature Yield Behavior of BCC Refractory Complex Concentrated Alloys (RCCA’s) |
| Author(s) |
Satish Rao, Brahim Akdim, Oleg Senkov, Daniel Miracle, Todd Butler |
| On-Site Speaker (Planned) |
Satish Rao |
| Abstract Scope |
Atomistic simulations, using Johnson-Zhou and/or Machine learning 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. 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 In addition, diffusional effects at very high temperatures on the predicted yield behavior are modelled. Edge dislocation mobilities in these alloys are modelled using the Maresca-Curtin model. Experimental and molecular dynamics yield data for MoNbTaW are analyzed using Rao-Suzuki model as well as 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: Metallurgical and Materials Transactions |