Regensburg 2013 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 15: Poster Session
MM 15.39: Poster
Montag, 11. März 2013, 18:00–20:00, Poster E
Phase-field crystal approach to model interfaces and crystal nucleation in binary alloys — •Muhammad Ajmal Choudhary1, Julia Kundin1, Martin Oettel2, and Heike Emmerich1 — 1Lehrstuhl für Material- und Prozesssimulation, Universität Bayreuth, D-95440 Bayreuth. — 2Institut für Angewandte Physik, Universität Tübingen, D-72076, Tübingen.
In general, the properties of a material are strongly related to the nucleation and patterning of its microstructure. Phase-field crystal (PFC) modeling is widely used to address the nucleation and microstructure evolution phenomena. We used a binary alloy system to study the equilibrium properties of liquid-solid interfaces as well as the nucleation barriers. We proposed the method of determining interfacial energies for a curved liquid-solid interface by stabilizing the circular solid seed in the surrounding liquid phase as well as the liquid droplet in the solid phase for various seed sizes in a finite system. We also derived the free energy barriers for the nucleation and investigated the system size effects on the equilibrium properties of liquid-solid interface and nucleation barriers. Furthermore, we compared the simulation results with the existing theories as well as the predictions based on the classical nucleation theory.