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MM: Fachverband Metall- und Materialphysik

MM 4: Liquid and Amorphous Metals I

MM 4.7: Vortrag

Montag, 14. März 2011, 12:30–12:45, IFW D

Influence of initial temperature and cooling rate on the liquid and amorphous structure of Cu47.5Zr47.5Al5 alloy simulated by molecular dynamics — •Valentin Kokotin and Jürgen Eckert — IFW Dresden, Institute for Complex Materials, Postfach 27 01 16, D-01171 Dresden, Germany

Atomic structure in liquid and supercooled/amorphous states has been investigated for the model alloy, Cu47.5Zr47.5Al5, with the help of classical molecular dynamics computer simulations. By rapid quenching from the melt (used initial temperatures: 1200 and 2000 K) at various cooling rates (comprising 6 orders of magnitude), differently relaxed amorphous structures have been prepared. The cooling rate affects the structural and thermodynamic properties significantly. Density and fraction of icosahedra depend exponentially on the cooling rate. The initial temperature of the liquid has rather a tangential influence on the final amorphous structure. The major differences in supercooled structure arise at temperatures below 900K (undercooling of about 300K), where nearly amorphous structure is "born".