Regensburg 2013 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 26: Computational Materials Modelling - Diffusion & Kinetics I
MM 26.2: Vortrag
Dienstag, 12. März 2013, 15:15–15:30, H24
Effect of local ordering in the melt and at the solid-liquid interface on the growth kinetics in a metallic alloy model — •Mohammed Guerdane1, Helmar Teichler2, and Britta Nestler1,3 — 1Institute of applied Materials (IAM-ZBS), Karlsruhe Institute of Technology (KIT) — 2Institute for Materials Physics, University of Göttingen — 3Institute of Materials and Processes, Karlsruhe University of Applied Sciences
We present a molecular dynamics (MD) study about the structure of a solid-liquid interface between a bcc Zr crystal and a binary NiZr melt. We demonstrate how local atomic order in the liquid phase could transform into a massive lateral ordering at the interface when commensurability is given between the coordination polyhedra of the liquid and the periodic potential of the crystal wall. The influence of this structure on the growth kinetics is quantitatively investigated by linking MD simulations to phase-field modeling. These results contribute to our understanding of the correlation between the stability of the undercooled liquid against crystallization (e.g. in the case of glass forming alloys) and its ability to build up a pronounced atomic order.