Berlin 2008 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 9: SYM Phase Transformations in Metallic Melts III
MM 9.3: Vortrag
Montag, 25. Februar 2008, 15:30–15:45, H 1058
Molecular dynamics computer simulation of crystal growth and melting in Al50Ni50 — Ali Kerrache1, •Juergen Horbach1,2, and Kurt Binder1 — 1Institut für Physik, Johannes Gutenberg-Universität Mainz, Staudinger Weg 7, 55099 Mainz — 2Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt, Linder Höhe, 51147 Köln
The melting and crystallization of Al50Ni50 are studied by means of molecular dynamics computer simulation, using a potential of the embedded atom type to model the interactions between the particles. Systems in a slab geometry are simulated where the B2 phase of AlNi in the middle of an elongated simulation box is separated by two planar interfaces from the liquid phase, thereby considering different crystal orientations (100, 110, and 111). By determining the temperature dependence of the interface velocity, an accurate estimate of the melting temperature is provided. For the different orientations similar values around 0.002 m/s/K are found for the kinetic coefficient. This value is about two orders of magnitude smaller than that found for one-component systems. We discuss this finding in the framework of the Wilson-Frenkel model, considering also structure and diffusion dynamics in the vicinity of the liquid-crystal interface.