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P. Lang, E. Povoden-Karadeniz, W. Mayer, A. Falahati, E. Kozeschnik:
"The bustling nature of vacancies in Al alloys";
Poster: PRICM-8: Pacific Rim International Congress on Advanced Materials and Processing 2013, Waikoloa, USA; 2013-08-04 - 2013-08-09; in: "The 8th Pacific Rim International Congress on Advanced Materials and Processing", Wiley, (2013), ISBN: 978-0-470-94309-0; 3181 - 3188.

The evolution of quenched-in vacancies, diffusing through the crystal lattice in Al alloys, is simulated within a physical modeling framework. In the context of initial decomposition phenomena in Al-alloys interactions between vacancies different alloying elements are of particular importance, since these decide over the occurrence of trapping or repelling effects on vacancies. We use first-principles analysis to evaluate solute-vacancy interactions. These
results lead to improved understanding of trapping and repelling behavior. Generation and annihilation of non-equilibrium vacancies at different sources and sinks as well as binding energies of solute-vacancy complexes are considered, thus allowing for the prediction of the excess vacancy evolution. Moreover, their influence on the diffusivities and their role in the formation and growth of early precipitates is investigated. The present parameter-free model
is a valuable tool in interpretation of experimental observations. Simulation studies in multicomponent multiphase Al-alloys are presented, which show the bustling activities of quenched-in vacancies during various time-temperature treatments.

simulation, excess quenched-in vacancies, binding energy