About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Multi-Principal Element Alloys V: Mechanical Behavior
|
| Presentation Title |
Simulations and Modelling of the Mechanical Behavior of Compositionally Complex Concentrated BCC alloys |
| Author(s) |
Satish Rao, Wenqing Wang, Lassi Linnala, David Cook, Punit Kumar, Robert Ritchie, Mark Asta |
| On-Site Speaker (Planned) |
Satish Rao |
| Abstract Scope |
Atomistic simulations of the core structure and mobility of ½[111] dislocations in complex concentrated BCC alloys are presented. Molecular Dynamics results show that a moving screw dislocation leaves behind interstitial and vacancy dipole debris in these alloys. Average solute-dislocation core interaction energies obtained using Johnson-Zhou, Machine Learning potentials 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. In addition, diffusional effects at very high temperatures on the predicted yield behavior are modelled. Edge dislocation mobilities in these alloys are modelled using a modified version of the Maresca-Curtin model. A ductile-brittle transition temperature (DBTT) model for bcc alloys is also presented. The model results on yield/creep, DBTT behavior are shown to be in good agreement with experimental data in selected BCC complex concentrated alloys. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, Modeling and Simulation, Mechanical Properties |