About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Atomistic Insights on the Effect of Thermal Gradient on Interfacial Properties of Al-4.5 at.% Cu |
| Author(s) |
Amrutdyuti Swamy, Pabitra Choudhury |
| On-Site Speaker (Planned) |
Pabitra Choudhury |
| Abstract Scope |
Solid-melt interfacial energy and its anisotropy are fundamental parameters that govern cast microstructures. While compositional effects are well-studied, the influence of steep thermal gradients, typical of rapid solidification processes, remains largely unexplored. Using molecular dynamics simulations, we examine the Al-4.5 at.% Cu solid-liquid interface under thermal gradients up to 30 K/nm. We find that increasing the gradient suppresses capillary-wave fluctuations, causing a linear increase in both interfacial stiffness and average interfacial energy. We observe that the average Cu concentration in the newly solidified section increases with the thermal gradient, indicating an enriched liquid phase that impedes grain growth and leads to a finer microstructure. Crucially for modeling, the interfacial energy anisotropy remains constant despite the thermal gradient. This suggests that while phase-field models must adjust for thermal effects on interfacial energy, using equilibrium anisotropy values is a reasonable approximation for simulating rapid solidification in dilute Al-Cu alloys. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Solidification, Modeling and Simulation, Thin Films and Interfaces |