About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Multi-Principal Element Alloys V: Mechanical Behavior
|
| Presentation Title |
Accelerated MD investigation of screw dislocation strengthening mechanism in BCC Multi-Principal element Alloys |
| Author(s) |
Subhendu Chakraborty, Liang Qi |
| On-Site Speaker (Planned) |
Subhendu Chakraborty |
| Abstract Scope |
BCC Multi-Principal Element Alloys(MPEAs) are known to exhibit good strength and ductility in comparison to the individual elements themselves. It is believed that the mobility of screw dislocations within such alloys plays the most crucial role in the development of such superior mechanical properties.
In this work, we use time-accelerated MD simulations at deformation rates from 1.0e+03 s-1 up to 1.0e+08 s-1. The underlying cross-kink mechanism that is fundamental in providing the high strength in such alloys is found to be dependent on both the rate of deformation and the spatial scale of the simulation. We will present an atomic-scale understanding of such mechanisms for the Nb-Mo system. Efforts will also be made to develop a surrogate model that predicts the probability of forming various types of cross-kinks as a function of local and global alloy compositions—an essential step for mesoscale predictions of screw dislocation mobility. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, High-Temperature Materials, Mechanical Properties |