About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Hume-Rothery Symposium: Interface Structure and Properties: Impact on Microstructure Evolution
|
| Presentation Title |
Solute-drag forces from short-time equilibrium
fluctuations of crystalline interfaces |
| Author(s) |
Moneesh Upmanyu, Changing Wang |
| On-Site Speaker (Planned) |
Moneesh Upmanyu |
| Abstract Scope |
We report a computational framework based on short-time equilibrium fluctuations within molecular dynamics simulations to extract the average stiffness associated with the drag force exerted by the segregating solutes. We show that fluctuations of the solute-loaded interface are necessarily non-classical at short timescales due to the confining solute cloud. The behavior due to the
slower stochastic evolution of the cloud corresponds to exponentially subdiffusive Brownian motion in an external trapping potential. The average drag stiffness of the potential yields the drag force. At longer timescales, the interfacial and bulk forces lead to a recovery of the classical random walk of the interface with a diffusivity set by extrinsic mobility. The short timescales inherent in the response offers a viable strategy for extracting drag stiffness and forces, enabling the rational design of alloys to control the microstructural evolution in polycrystals, and in particular, for designing stable nanocrystalline alloys. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Thin Films and Interfaces, Modeling and Simulation, Computational Materials Science & Engineering |