| About this Abstract |
| Meeting |
2024 TMS Annual Meeting & Exhibition
|
| Symposium
|
Mechanical Response of Materials Investigated through Novel In-situ Experiments and Modeling
|
| Presentation Title |
A Concurrent Atomistic-continuum Study on the Peierls Stress of Screw Dislocations in BCC Iron |
| Author(s) |
Jiaqi Sun, Yang Li, Rigelesaiyin Ji, Liming Xiong, Youping Chen |
| On-Site Speaker (Planned) |
Jiaqi Sun |
| Abstract Scope |
The large discrepancy between Peierls stress calculated using atomistic methods and that estimated in experimental studies is well known. Despite significant research effects over the past decades, our understanding of this discrepancy remains limited. In this talk, we present a mesoscale study on the Peierls stress of BCC iron employing the phonon description of temperature and using the Concurrent Atomistic-continuum method as the simulation tool. Our study is able to study dislocations with line lengths ranging from 200nm to 1 micron, which are the typical lengths of screw dislocations at low temperature. Our simulations are also able to preserve the Bose-Einstein distribution of phonon modes and provide valuable insights into the phonon-dislocation interaction at low temperature and the Peierls stress. The quantum effect on dislocation motion and Peierls stress are quantified. The dependence of the phonon-dislocation interaction on phonon mode and dislocation length will be discussed. |
| Proceedings Inclusion? |
Planned: |