| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Atomistic Simulations Linked to Experiments to Understand Mechanical Behavior: A MPMD Symposium in Honor of Professor Diana Farkas
|
| Presentation Title |
Diffusivity and Mechanical Response of Phase Boundaries |
| Author(s) |
Raj Koju, Omar Hussein, Yuri Mishin |
| On-Site Speaker (Planned) |
Yuri Mishin |
| Abstract Scope |
The diffusivity and resistance to shear deformation of grain boundaries have been extensively studied by simulations and experiments. By contrast, diffusion processes at interfaces between different phases and their mechanical responses have received much less attention and are poorly understood. We report on large-scale atomistic simulations of FCC/BCC interfaces separating highly dissimilar metallic phases. The interface diffusion coefficients are calculated as a function of temperature for several crystallographic orientations and compared with grain boundary diffusion. Interphase boundary diffusion is systematically slower than grain boundary diffusion and is accelerated by premelting near the bulk melting point of the low-melting phase. Diffusion mechanisms in interphase boundaries are predominantly collective and dynamically heterogeneous. Interface sliding in response to applied shear is examined and correlated with interface diffusion. It is shown that shearing accelerates the interphase diffusion rate by creating periodic avalanches of interfacial defects that quickly relax when the stress drops. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Mechanical Properties, Modeling and Simulation, Computational Materials Science & Engineering |