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Project information
Theoretical and experimental investigations of thermodynamic properties in transition metal based intermetallic phases

Investor logo
Project Identification
GA106/07/1078
Project Period
1/2007 - 12/2009
Investor / Pogramme / Project type
Czech Science Foundation
  • Standard Projects
MU Faculty or unit
Faculty of Science
Keywords
intermetallic phases, CALPHAD, ab initio, thermodynamic modelling
Cooperating Organization
Institute of Materials Physics of the ASCR, v. v. i.
  • Responsible person RNDr. Aleš Kroupa, CSc.

The project extends the possibilities of modelling of thermodynamic properties and equilibrium phase diagrams of multicomponent systems corresponding to novel varieties of steels or to the other technologically interesting metallic systems. Principal attention is paid to secondary phases (Laves phases, Z-phases, etc.), which usually strongly influence the properties of these materials, but their thermodynamic behaviour has not been satisfactorily described up to now. The project utilizes modern treatment of combination of semiempirical modelling approaches (CALPHAD method), ab initio calculations of thermodynamic quantities and experimental verification of theoretical results - our research team belongs to pioneers of this treatment. The results obtained will advance our fundamental understanding of existence regions of important secondary phases in advanced materials and will contribute to the creation of a reliable and consistent thermodynamic database allowing theoretical prediction of behaviour of these phases.

Publications

Total number of publications: 29

2009

2008

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