About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Defect-Driven Variability in Solid–Liquid Interface Properties: A Molecular Dynamics Study of Al and Al–Cu Systems |
| Author(s) |
Mohsen Asle Zaeem, Sepideh Kavousi |
| On-Site Speaker (Planned) |
Sepideh Kavousi |
| Abstract Scope |
Traditional evaluations of solid–liquid (SL) interfacial properties in metals have primarily focused on defect-free crystalline systems. However, real-world solidification processes often involve the formation of crystal defects—such as twin boundaries and grain boundaries—that can significantly alter SL interfacial properties and phase transformation kinetics. In this study, we employ molecular dynamics simulations to investigate how such defects influence equilibrium SL interface characteristics, including anisotropic interfacial and kinetic properties. Focusing on pure aluminum and Al–Cu binary systems, we examine how defect-induced variations perturb the equilibrium interface state as represented in the phase diagram. We further quantify the effects of embedded defects on SL interface free energy, kinetic coefficients, and corresponding anisotropy parameters. Our findings underscore the critical role of defect-driven variability in modeling solidification and phase transitions, providing new insights into the interplay between microscopic defects and macroscopic interface behavior. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Solidification, |