Dresden 2009 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 42: Nanostructured Materials III
MM 42.1: Vortrag
Donnerstag, 26. März 2009, 14:00–14:15, IFW A
Virtual diffraction of MD-simulated nanocrystalline Pd under compression — •Jürgen Markmann1,2, Dmitriy Bachurin3, Peter Gumbsch3, and Jörg Weissmüller1,2 — 1Universität des Saarlandes, FR7.3 Technische Physik, 66123 Saarbrücken, Germany — 2Forschungszentrum Karlsruhe in der Helmholtz-Gemeinschaft, Institut für Nanotechnologie, 76344 Eggenstein-Leopoldshafen, Germany — 3Universität Karlsruhe, Institut für Zuverlässigkeit von Bauteilen und Systemen, 76131 Karlsruhe, Germany
Wide angle x-ray scattering (WAXS) is a widely used tool to characterise the microstructure of crystalline materials. During the last few years the means were developed to calculate x-ray spectra out of molecular dynamics simulation data and to use these spectra to analyse the MD structures. This approach has been validated to yield reliable results for well defined structures. Now, more realistic samples were investigated and analysed in-situ during a deformation by uniaxial compression. These samples consist of 100 randomly oriented palladium grains and were analysed for microstructural parameters like lattice constant, grain size, microstrain, and stacking fault density which can be evaluated out of the position and shape of the x-ray reflections. The most interesting finding is the increase of stacking fault density with the onset of plastic deformation. The stacking fault density reduces to zero when the structure is unloaded. This will be discussed togehter with the other microstructural parameters in terms of nucleation, dissolution, and movement of dislocations.