Project information
Multiscale modelling of structure and properties of intermetallic phases
- Project Identification
- OC 164
- Project Period
- 3/2007 - 12/2009
- Investor / Pogramme / Project type
-
Ministry of Education, Youth and Sports of the CR
- COST
- MU Faculty or unit
- Faculty of Science
Víceúrovňové modelování intermetalických sloučenin (Lavesovy fáze apod.) se zaměřením na jejich strukturní a termodynamické charakteristiky. Využití kombinace ab initio a semiempirických metod při konstrukcích fázových diagramů.
Publications
Total number of publications: 24
2010
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Ab Initio Study of Formation Energy and Magnetism of Sigma Phase in Cr-Fe and Cr-Co Systems
Intermetallics, year: 2010, volume: 18, edition: 2
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Thermodynamic modeling of Laves phases in the Cr-Hf and Cr-Ti systems: Reassessment using first-principles results
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, year: 2010, volume: 34, edition: 2, DOI
2009
-
Energetics and magnetism of Cr-based sigma phases
Year: 2009, type: Conference abstract
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Magnetism in Cr-based Sigma Phases
Year: 2009, type: Conference abstract
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Multiscale modeling of stability of intermetallic phases and thermodynamic study of solutions and nanoparticles.
Year: 2009, type:
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Multiscale Modeling of the Stability of Intermetallic Phases
Year: 2009, type: Conference abstract
-
Phase Equilibria with Laves Phases in the Cr-Ti and Cr-Hf systems
Year: 2009, type: Conference abstract
-
Recent progress in using of ab initio calculations for determination of stability of Cr-containing Laves phases
Year: 2009, type: Conference abstract
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Re-modeling of Laves phases in the Cr-Nb and Cr-Ta systems using first-principles results
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, year: 2009, volume: 33, edition: 1
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Stability of Cr-containing Laves phases
Year: 2009, type: Conference abstract