About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Chemistry and Physics of Interfaces
|
Presentation Title |
Back and Forth are Not the Same: The Migration of Typical Grain Boundaries |
Author(s) |
David Joseph Srolovitz, Caihao Qiu, Siqi Wang, Marco Salvalaglio, Jian Han |
On-Site Speaker (Planned) |
David Joseph Srolovitz |
Abstract Scope |
Classical models for grain boundary (GB) motion posit that GB velocity, v=MF, where M is a constant (T-dependent) mobility and F is the driving force. Reversing the sign of F implies that the magnitude of the GB velocity is unchanged but with motion in the opposite direction. We presentmolecular dynamics simulation results on a variety of different GBs with different driving forces at different temperatures to examine if this is true. The MD simulations show that this proposition is true only under a restrictive set of conditions (i.e., those in which most simulators focus). We developed a reduced-order kinetic Monte Carlo simulation method that explains this phenomena and demonstrate that the inequivalence of back and forth motion leads to akin to “molecular ratchets”. We demonstrate how an AC driving force can give rise to unidirectional GB migration. Finally, we discuss the implications for microstructure evolution. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Other, |