Publications in Scientific Journals:

P. Lang, Y.V. Shan, E. Kozeschnik:
"The life-time of structural vacancies in the presence of solute trapping";
Materials Science Forum, 794 - 796 (2014), 963 - 970.

English abstract:
Vacancies are the simplest type of lattice defect. However, they play a major role in the kinetics of diffusional processes, such as solid-state precipitation, where mass transport is directly proportional to the concentration of vacancies. We present a physical modelling framework, where we simulate the evolution of excess vacancies on the example of Al-alloys during simplified time-temperature treatments. Interaction energies between solute atoms and vacancies are evaluated by first-principle analysis. Assuming that the escape of vacancies from existing traps is dependent on temperature and binding energies, we explore the life-time of non-equilibrium vacancies and the natural and artificial aging response of Al alloys. The predictions of the model are finally compared to experimental data.

"Official" electronic version of the publication (accessed through its Digital Object Identifier - DOI)

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