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Theoretical Physics

Theoretical database of elastic constants for transition metal alloys

Information on the elastic properties of metals and their alloys is of very high importance for the material design. However, measurements are costly, and also they are often done on polycrystalline materials, which give access to average properties. We have recently developed a powerful tool for theoretical simulations of elastic constants in random substitutional alloys (L. Vitos, I. A. Abrikosov, and B. Johansson, "Anisotropic lattice distortions in random alloys from first-principles theory", Phys. Rev. Lett. 87, 156401 (2001), http://publish.aps.org/), which allows for accurate predictions of the elastic constants in monocrystals. We will use this software for creating a theoretical database of elastic constants for transition metal alloys. It will find applications in physics, materials science, as well as in geosciences. Within this project you will learn this technique, and you will contribute to the database creation.

Contact:
Igor Abrikosov, Professor, Theoretical Physics,
Department of Physics and Measurement Technology (IFM),
Linköpings University
SE-581 83 Linköping
Phone: +46(0)-13-285650
Office location: Fysikhuset, F310
e-mail: Igor.Abrikosov@ifm.liu.se