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Fundamental technological properties of advanced metallic alloys (»Add to Infobox)

Research Leader: Professor Börje Johansson
Professor John Ågren, Pavel Korzhavyi

Applied Material Physics, Physical Metallurgy

The purpose of the current project is to build up new competence in Sweden in the field of computer-aided simulations of materials, an area where a rapid and extensive development is taking place internationally. The main goal will be to achieve a deep understanding of the behaviour of advanced metallic alloys under equilibrium and non-equilibrium conditions at the fundamental level by studying their electronic and atomic structure using the most modern and advanced computational methods. This will enable us to establish a set of materials parameters and composition-structure-property relations that are needed for materials optimization.

The research will be focused on fundamental technological properties related to lattice defects in advanced metallic alloys (high-performance steels, superalloys, refractory materials) and alloy phases (solid solutions, intermetallic compounds), which will be studied by means of first-principles calculations combined with atomistic simulations and continuum modelling.

Period: 2002-01-01 - 2008-01-01

Ab initio, Defects, Alloys, Multiscale problems, Metals, Thermodynamic properties, Electron structure

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VR (The Swedish Research Council)


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