About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Defects and Interfaces: Modeling and Experiments
|
Presentation Title |
The Effect of System Size and Interatomic Potential on Non-Arrhenius Boundary Migration of Incoherent Twin Grain Boundaries in Nickel |
Author(s) |
Eric R. Homer, Akarsh Verma, Oliver K Johnson, Gregory Thompson, Shigenobu Ogata |
On-Site Speaker (Planned) |
Eric R. Homer |
Abstract Scope |
Non-Arrhenius boundary migration has been reported in numerous simulations of incoherent twins and experiments under cryogenic loading have reported coarsening behaviors consistent with the simulation work. The application of a decades-old migration model shows that this non-Arrhenius, sometimes called antithermal, behavior, can emerge from thermally activated processes when the barrier to migration is small. To fully understand the impact of various aspects of the simulation work, we have examined the effect of system size and interatomic potential on the observed migration behavior. In short, we see that large system sizes do indeed impact the migration rate, with an apparent slowing of the migration when large structures are simulated. Interestingly, while the interatomic potentials affect the velocities, 7 different potentials predict remarkably similar behaviors and a consistent prediction of the non-Arrhenius phenomenon. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Thin Films and Interfaces |