Regensburg 2010 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 14: Diffusion and Point Defects III
MM 14.1: Vortrag
Montag, 22. März 2010, 14:45–15:00, H6
Atomic Study of Pipe Diffusion in Al and AlCu alloys — Jan-Michael Albina2, Christian Elsässer2, •Thomas Gnielka2, and Peter Gumbsch1,2 — 1izbs, Karlsruher Institut für Technologie , Kaiserstr. 12, 76131 Karlsruhe — 2Fraunhofer IWM, Wöhlerstr. 11, 79108 Freiburg
The formation energies of vacancies and activation energies for vacancy diffusion in the core of an edge dislocation in Al are investigated by means of atomistic simulations. With the climbing image nudged elastic band method it is possible to find exact saddle points for a diffusion path. The calculated formation energy for a vacancy at the core of an edge dislocation (Ef,v=0.51 eV) is in agreement with already published data. For the important migration step we found however a higher value of Emig=0.43 eV. Based on the path of minimal activation energies, a model for the quasi 1-D diffusion will be presented.
Furthermore the influence of Cu impurity atoms on activation energies will be shown.