Project information
Theoretical studies of grain boundaries with point defects and their aggregates
- Project Identification
- GA202/09/1786
- Project Period
- 1/2009 - 12/2011
- Investor / Pogramme / Project type
-
Czech Science Foundation
- Standard Projects
- MU Faculty or unit
- Faculty of Science
- Keywords
- electronic structure, grain boundaries, point defects
- Cooperating Organization
-
Charles University
- Responsible person Jan Kuriplach
Publications
Total number of publications: 25
2011
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Ab initio study of energetics and magnetism of Fe, Co, and Ni along the trigonal deformation path
Physical Review B, year: 2011, volume: 83, edition: 18, DOI
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Ab initio study of phase transformations in transition-metal disilicides
Intermetallics, year: 2011, volume: 19, edition: 7, DOI
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Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:
STEEL RESEARCH INTERNATIONAL, year: 2011, volume: 82, edition: 2, DOI
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Hledání základního stavu nitridů niklu NiN a Ni2N pomocí kvantově-mechanických výpočtů
Víceúrovňový design pokrokových materiálů 2011 (sborník doktorské konference), year: 2011
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Hledání základního stavu sloučenin nitridů niklu NiN a Ni2N pomocí kvantově mechanických výpočtů
Year: 2011
-
Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel
Physical Review B, year: 2011, volume: 84, edition: 1, DOI
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Strength And Magnetism of Nanocomposites Formed By 3d-Metal Nanochains Embedded In a Non-Magnetic Matrix
World Journal of Engineering, year: 2011, volume: 8, edition: Supp. 1
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Structure and magnetism of clean and impurity-decorated grain boundaries in nickel from first principles
XI. Pracovního setkání fyzikálních chemiků a elektrochemiků, year: 2011
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The effect of segregated sp-impurities on grain-boundary and surface structure, magnetism and embrittlement in nickel
Progress in Materials Science, year: 2011, volume: 56, edition: 6, DOI
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Transformation paths in transition-metal disilicides
Key Engineering Materials, year: 2011, volume: 465, edition: 1, DOI