Talks and Poster Presentations (without Proceedings-Entry):
P. Lang et al.:
"Vacancy-solute clusters in Al-alloys; Ab initio studies";
Talk: EATP; Grenoble Institute of Technology,
Grenoble; France;
2012-07-10.
English abstract:
Ab initio calculations based on density functional theory have been performed to study the stability of small clusters in 6xxx aluminium alloys. The presence of vacancies in different constellations of clusters is studied theoretically using augmented plane wave theory. The clusters bound to one vacancy in a fcc aluminium matrix are compared to solute clusters without the presence of vacancies. Binding energies of a cluster to one vacancy are obtained and discussed. They are used to predict energetically more favourable structures.
Keywords:
vacancy-solute, binding energy
Electronic version of the publication:
http://publik.tuwien.ac.at/files/PubDat_213269.pdf
Created from the Publication Database of the Vienna University of Technology.