Dresden 2009 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 34: Liquid and Amorphous Metals I

MM 34.3: Vortrag

Mittwoch, 25. März 2009, 15:15–15:30, IFW D

Stokes-Einstein relation in computer simulated bulk glass forming Cu33Zr67 melts — •xiujun han and herbert schober — IFF, Forschungszentrum Juelich, 52425 Juelich, Germany

The validity of Stokes-Einstein (SE) relation in glass forming Cu33Zr67 melts is checked by studying the relationship between viscosity and self-diffusion coefficient with molecular dynamics simulation. The atomic interaction of Cu-Zr is modeled by modified-embedded-atomic method (MEAM). The self-diffusion coefficient is calculated from mean squared displacements (MSD) and the viscosity is evaluated from Green-Kubo equation. It was found that at temperatures higher than 1500K, SE relation is valid. When the temperature is further decreased, SE relation breaks down, which is an indication of dynamical heterogeneity in the melts.