|About this Abstract
||3rd World Congress on High Entropy Alloys (HEA 2023)
||Simulations and Modelling of the High Temperature Yield Behavior of BCC Refractory Complex Concentrated Alloys (RCCA’s)
||Satish Rao, Brahim Akdim, Oleg Senkov, Daniel Miracle, Todd Butler
|On-Site Speaker (Planned)
Atomistic simulations, using Johnson-Zhou and/or Machine learning potentials, of the core structure and mobility of ½ 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.
||Planned: Metallurgical and Materials Transactions