Dresden 2014 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 34: Poster Session
MM 34.5: Poster
Dienstag, 1. April 2014, 18:00–20:00, P4
Cooling rate dependend short and medium range order of a CuZrAl glass analyzed by comparing XRD data and MD simulations — •Helmut Hermann1, Valentin Kokotin2, Uta Kühn1, Björn Schwarz3, Ivan Kaban4, and Horst Wendrock1 — 1IFW Dresden, P.O. Box 270116, 01171 Dresden — 2ThyssenKrupp Steel Europe AG, Kaiser-Wilhelm-Str. 100, 47166 Duisburg — 3Karlsruhe Inst. of Technology, IAM-ESS, Hermann-von Helmholtz-Platz 1, 76344 Eggendingen-Leopoldshafen — 4TU Dresden, Inst. für Werkstoffwissenschaft, 01062 Dresden
The preparation of a CuZrAl glass is simulated at different cooling rates by means of molecular dynamics (MD). The atomic order is studied using generalized Voronoi tessellation. It appears that the fraction of icosahedral Voronoi cells increases with decreasing cooling rate. These differences are visible in changes of the X-ray scattering intensities of the simulated samples. Parallel to the simulations, samples with the same composition are prepared experimentally under different cooling rates which are realized by means of rapid quenching and mould casting techniques, respectively. Synchrotron radiation is used to measure the diffraction curves of the samples. The experimental X-ray scattering curves for the samples obtained at different cooling rates show the same features as the curves calculated from the samples generated by MD simulation at different cooling rates. This confirms the simulation results.