|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Thermodynamics and Kinetics
||Extension of the Stability Range of Tau-10 Phase in Al-Fe-Si Alloy: Cluster Expansion Approach
||Biswas Rijal, Richard Hennig, Michele Manuel, Sujeily Soto
|On-Site Speaker (Planned)
High-temperature and light-weight alloys can reduce weights in automobiles to enhance fuel efficiency. Among possible systems, Al-Fe-Si alloys exhibit the potential low density and mechanical strength at elevated temperatures. With a combined experimental and computational approach, we predict the structure and stability region of one such phase—the tau-10 Al-Fe-Si phase. Cluster expansions based on density-functional theory calculations predict the energetics of various partial occupancies of the alloy. Monte-Carlo simulations at elevated temperatures determine the Gibbs free energy and thermodynamically stable configuration. We compare the structures with X-ray diffraction data to validate the high-temperature structure of the tau-10 phase. Since the tau-10 phase is stable in very narrow region, we investigate quaternary alloying additions to increase the phase stability. Using structure databases, we screen suitable alloying additions by searching for other systems with related crystal structures and investigate their effect on the stability of the Al-Fe-Si tau-10 phase.
||Planned: Supplemental Proceedings volume