Berlin 2008 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 10: SYM Phase Transformations in Metallic Melts IV
MM 10.3: Vortrag
Montag, 25. Februar 2008, 17:00–17:15, H 1058
Computational optimisation of multi-component hard sphere liquids — •Helmut Hermann1, Antje Elsner1, Valentin Kokotin1, Kristin Lochmann2, and Dietrich Stoyan2 — 1Institute for Solid State and Materials Research, IFW Dresden, P.O.Box 270116, D-01171 Dresden, Germany — 2Freiberg University of Mining and Technology, Institute of Stochastics, Agricolastr. 1, D-09596 Freiberg, Germany
The atomistic simulation of multi-component metallic melts is a difficult task since there are no realistic interaction potentials for systems consisting of more than three species. Therefore, the generalised Bernal's model for liquids is used as an approach to the structure of multi-component liquid and amorphous metallic alloys. Varying size distribution and chemical composition, parameter ranges are determined leading to maximum values of the mean packing fraction. This generalised Bernal's model is combined with Miedema's macroscopic atom model for predicting enthalpy effects in alloys. The results of the simulations correspond at least qualitatively to empirical rules of high glass forming ability of multi-component metallic melts.