Search results

  1. 1.
    0585935 - ÚFM 2025 RIV NL eng J - Journal Article
    Všianská, M. - Pavlů, J. - Šob, Mojmír
    Defect-induced properties of MoSi2/Nb(Ta)Si2 disilicide nanocomposites.
    Materials Today Communications. Roč. 39, Jun (2024), č. článku 108584. ISSN 2352-4928. E-ISSN 2352-4928
    R&D Projects: GA ČR(CZ) GA16-24711S; GA MŠMT(CZ) LQ1601
    Institutional support: RVO:68081723
    Keywords : transition-metal disilicides * ab-initio * thermodynamic properties * mechanical-properties * electronic-structure * cr segregation * phase-field * mosi2 * nbsi2 * c40 * Disilicides * C11(b) MoSi2 * C40 NbSi2 * C40 TaSi2 * Nanocomposites * Interfaces * Vacancies * Si and Al impurities * Segregation energies
    Impact factor: 3.8, year: 2022
    Method of publishing: Limited access
    https://www.sciencedirect.com/science/article/pii/S2352492824005646?via%3Dihub
    Permanent Link: https://hdl.handle.net/11104/0353674
     
     
  2. 2.
    0579052 - ÚFM 2024 RIV NL eng J - Journal Article
    Všianská, M. - Pavlů, J. - Šob, Mojmír
    Theoretical study of MoSi2/TiSi2 disilicide nanocomposites with vacancies and impurities.
    Surfaces and Interfaces. Roč. 42, NOV (2023), č. článku 103428. ISSN 2468-0230. E-ISSN 2468-0230
    R&D Projects: GA ČR(CZ) GA16-24711S
    Institutional support: RVO:68081723
    Keywords : Computer simulations * Disilicides * Nanocomposites * Phase boundaries * Si and Al impurities * Vacancies
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 6.2, year: 2022
    Method of publishing: Limited access
    https://www.sciencedirect.com/science/article/pii/S2468023023007988?via%3Dihub
    Permanent Link: https://hdl.handle.net/11104/0348438
     
     
  3. 3.
    0531183 - ÚFM 2021 RIV CH eng J - Journal Article
    Mazalová, M. - Všianská, Monika - Pavlů, Jana - Šob, Mojmír
    The effect of vacancies on grain boundary segregation in ferromagnetic fcc Ni.
    Nanomaterials. Roč. 10, č. 4 (2020), č. článku 691. E-ISSN 2079-4991
    R&D Projects: GA ČR(CZ) GA16-24711S
    Institutional support: RVO:68081723
    Keywords : Defects binding energies * Fcc Ni * Grain boundary energy * Magnetism * Segregation energy * Si and Al impurity * Tilt 5(210) grain boundary * Vacancy
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 5.076, year: 2020
    Method of publishing: Open access
    https://www.mdpi.com/2079-4991/10/4/691
    Permanent Link: http://hdl.handle.net/11104/0310343
     
     
  4. 4.
    0524119 - ÚFM 2021 RIV CH eng J - Journal Article
    Polsterová, S. - Friák, Martin - Všianská, Monika - Šob, Mojmír
    Quantum-mechanical assessment of the energetics of silver decahedron nanoparticles.
    Nanomaterials. Roč. 10, č. 4 (2020), č. článku 767. E-ISSN 2079-4991
    R&D Projects: GA MŠMT(CZ) LQ1601; GA ČR(CZ) GA16-24711S
    Institutional support: RVO:68081723
    Keywords : Ab initio calculations * Decahedron * Excess energy * Nanoparticles * Silver * Thermodynamics
    OECD category: Thermodynamics
    Impact factor: 5.076, year: 2020
    Method of publishing: Open access
    https://www.mdpi.com/2079-4991/10/4/767
    Permanent Link: http://hdl.handle.net/11104/0309679
     
     
  5. 5.
    0509788 - ÚFM 2020 RIV GB eng J - Journal Article
    Koutná, N. - Řehák, Petr - Chen, Z. - Bartosik, M. - Fallmann, M. - Černý, M. - Zhang, Z. - Friák, Martin - Šob, Mojmír - Mayrhofer, P. H. - Holec, D.
    Correlating structural and mechanical properties of AlN/TiN superlattice films.
    Scripta Materialia. Roč. 165, MAY (2019), s. 159-163. ISSN 1359-6462. E-ISSN 1872-8456
    R&D Projects: GA ČR(CZ) GA16-24711S
    Institutional support: RVO:68081723
    Keywords : al-n * growth * 1st-principles * energies * hardness * mo * Superlattice * Ab initio * tem * Elasticity cleavage
    OECD category: Composites (including laminates, reinforced plastics, cermets, combined natural and synthetic fibre fabrics
    Impact factor: 5.079, year: 2019
    Method of publishing: Limited access
    https://www.sciencedirect.com/science/article/pii/S1359646219301046?via%3Dihub
    Permanent Link: http://hdl.handle.net/11104/0300826
     
     
  6. 6.
    0509670 - ÚFM 2020 RIV GB eng J - Journal Article
    Černý, Miroslav - Šesták, Petr - Řehák, Petr - Všianská, Monika - Šob, Mojmír
    Atomistic approaches to cleavage of interfaces.
    Modelling and Simulation in Materials Science and Engineering. Roč. 27, č. 3 (2019), č. článku 035007. ISSN 0965-0393. E-ISSN 1361-651X
    R&D Projects: GA ČR(CZ) GA16-24711S
    Institutional support: RVO:68081723
    Keywords : grain-boundary decohesion * ab-initio * segregation * 1st-principles * embrittlement * fracture * nickel * ni * tensile tests * interfaces * ab initio calculations * cohesion
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 1.874, year: 2019
    Method of publishing: Limited access
    https://iopscience.iop.org/article/10.1088/1361-651X/ab0293
    Permanent Link: http://hdl.handle.net/11104/0300364
     
     
  7. 7.
    0506865 - ÚFM 2020 RIV CH eng J - Journal Article
    Šešták, Petr - Friák, Martin - Holec, D. - Všianská, Monika - Šob, Mojmír
    Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study.
    Nanomaterials. Roč. 8, č. 11 (2018), č. článku 873. E-ISSN 2079-4991
    R&D Projects: GA ČR(CZ) GA17-22139S; GA ČR(CZ) GA16-24711S; GA MŠMT LM2015069
    Institutional support: RVO:68081723
    Keywords : ideal tensile-strength * higher-energy phases * mechanical-properties * environmental embrittlement * fe3al * iron * 1st-principles * stability * microstructure * composites * Fe-Al * superalloys * order * tensile strength * elasticity * ab initio * stability * nanocomposite
    OECD category: Composites (including laminates, reinforced plastics, cermets, combined natural and synthetic fibre fabrics
    Impact factor: 4.034, year: 2018
    Method of publishing: Open access
    https://www.mdpi.com/2079-4991/8/11/873/htm
    Permanent Link: http://hdl.handle.net/11104/0301454
     
     
  8. 8.
    0506853 - ÚFM 2020 RIV GB eng J - Journal Article
    Černý, Miroslav
    Strength of FePd/MgO and FePt/MgO interfaces from first principles.
    Modelling and Simulation in Materials Science and Engineering. Roč. 26, č. 3 (2018), č. článku 035002. ISSN 0965-0393. E-ISSN 1361-651X
    R&D Projects: GA ČR(CZ) GA16-24711S; GA MŠMT(CZ) LQ1601
    Institutional support: RVO:68081723
    Keywords : grain-boundary * energy * decohesion * anisotropy * metals * system * cleavage * interface * FePt * FePd * ab initio calculation * cell size convergence
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 1.826, year: 2018
    Method of publishing: Limited access
    https://iopscience.iop.org/article/10.1088/1361-651X/aaa5d3
    Permanent Link: http://hdl.handle.net/11104/0301156
     
     
  9. 9.
    0504188 - ÚFM 2020 RIV NL eng J - Journal Article
    Meng, F-S. - Všianská, Monika - Friák, Martin - Šob, Mojmír
    Surface-induced magnetism in intermetallics: Ni3Ge compound as a case study.
    Journal of Magnetism and Magnetic Materials. Roč. 474, MARCH (2019), s. 273-281. ISSN 0304-8853. E-ISSN 1873-4766
    R&D Projects: GA ČR(CZ) GA16-24711S
    Institutional support: RVO:68081723
    Keywords : Ab initio calculations * Magnetic thin films * Surface magnetism * Intermetallic compounds * Nickel alloys
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 2.717, year: 2019
    Method of publishing: Limited access
    https://www.sciencedirect.com/science/article/pii/S0304885318317475?via%3Dihub
    Permanent Link: http://hdl.handle.net/11104/0301449
     
     
  10. 10.
    0498993 - ÚFM 2019 RIV CH eng J - Journal Article
    Miháliková, Ivana - Friák, Martin - Jirásková, Yvonna - Holec, D. - Koutná, N. - Šob, Mojmír
    Impact of Nano-Scale Distribution of Atoms on
    Electronic and Magnetic Properties of Phases in Fe-Al
    Nanocomposites: An Ab Initio Study.
    Nanomaterials. Roč. 8, č. 12 (2018), č. článku 1059. E-ISSN 2079-4991
    R&D Projects: GA MŠMT LM2015069; GA ČR(CZ) GA16-24711S; GA ČR(CZ) GA17-22139S
    Institutional support: RVO:68081723
    Keywords : Fe3Al * Fe-Al * magnetism * interfaces * ab initio * stability * disorder
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 4.034, year: 2018
    Permanent Link: http://hdl.handle.net/11104/0293613
     
     

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