Prof. Mojmír Šob

Publications that are part of the Web of Science database, possibly also other publications chosen by authors.

2019

• Mihalikova, I; Friak, M; Koutna, N; Holec, D; Sob, M, 2019: An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases. MATERIALS 12(9), doi: 10.3390/ma12091430

2018

• Sestak, P; Friak, M; Holec, D; Vsianska, M; Sob, M, 2018: Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study. NANOMATERIALS 8(11), doi: 10.3390/nano8110873
• Slavik, A; Mihalikova, I; Friak, M; Vsianska, M; Sob, M, 2018: QUANTUM-MECHANICAL STUDY OF MAGNETIC PROPERTIES OF SUPERALLOY NANOCOMPOSITE PHASE Fe2AlTi. 9TH INTERNATIONAL CONFERENCE ON NANOMATERIALS - RESEARCH & APPLICATION (NANOCON 2017) , p. 63 - 68
• Mihalikova, I; Slavik, A; Friak, M; Vsianska, M; Koutna, N; Holec, D; Sob, M, 2018: FIRST-PRINCIPLES STUDY OF INTERFACE ENERGIES IN Fe-Al-BASED SUPERALLOY NANOCOMPOSITES. 9TH INTERNATIONAL CONFERENCE ON NANOMATERIALS - RESEARCH & APPLICATION (NANOCON 2017) , p. 69 - 74
• Friak, M; Zeleny, M; Vsianska, M; Holec, D; Sob, M, 2018: An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Sigma 5(210) Grain Boundaries in Ni3Si. MATERIALS 11(11), doi: 10.3390/ma11112263
• Lejcek, P; Vsianska, M; Sob, M, 2018: Recent trends and open questions in grain boundary segregation. JOURNAL OF MATERIALS RESEARCH 33(18), p. 2647 - 2660, doi: 10.1557/jmr.2018.230
• Friak, M; Slavik, A; Mihalikova, I; Holec, D; Vsianska, M; Sob, M; Palm, M; Neugebauer, J, 2018: Origin of the Low Magnetic Moment in Fe2AlTi: An Ab Initio Study. MATERIALS 11(9), doi: 10.3390/ma11091732
• Paidar, V; Cak, M; Sob, M; Vitek, V, 2018: Dislocation dissociations in C11(b) MoSi2 and their impact on its plastic deformation. INTERMETALLICS 97, p. 34 - 41, doi: 10.1016/j.intermet.2018.03.003
• Koutna, N; Holec, D; Friak, M; Mayrhofer, PH; Sob, M, 2018: Stability and elasticity of metastable solid solutions and superlattices in the MoN-TaN system: First-principles calculations. MATERIALS & DESIGN 144, p. 310 - 322, doi: 10.1016/j.matdes.2018.02.033
• Friak, M; Holec, D; Sob, M, 2018: An ab initio study of mechanical and dynamical stability of MoSi2. JOURNAL OF ALLOYS AND COMPOUNDS 746, p. 720 - 728, doi: 10.1016/j.jallcom.2018.01.241

2017

• Vrest´al, J; Pavlu, J; Wdowik, UD; Sob, M, 2017: MODELLING OF PHASE EQUILIBRIA IN THE Hf-V SYSTEM BELOW ROOM TEMPERATURE. JOURNAL OF MINING AND METALLURGY SECTION B-METALLURGY 53(3), p. 239 - 247, doi: 10.2298/JMMB170704032V
• Schneeweiss, O; Friak, M; Dudova, M; Holec, D; Sob, M; Kriegner, D; Holy, V; Beran, P; George, EP; Neugebauer, J; Dlouhy, A, 2017: Magnetic properties of the CrMnFeCoNi high-entropy alloy. PHYSICAL REVIEW B 96(1), doi: 10.1103/PhysRevB.96.014437
• Vsianska, M; Vemolova, H; Sob, M, 2017: Segregation of sp-impurities at grain boundaries and surfaces: comparison of fcc cobalt and nickel. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 25(8), doi: 10.1088/1361-651X/aa86bf
• Friak, M; Vsianska, M; Holec, D; Zeleny, M; Sob, M, 2017: Tensorial elastic properties and stability of interface states associated with Sigma 5(210) grain boundaries in Ni-3(Al,Si). SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS 18(1), p. 273 - 282, doi: 10.1080/14686996.2017.1312519
• Lejcek, P; Sob, M; Paidar, V, 2017: Interfacial segregation and grain boundary embrittlement: An overview and critical assessment of experimental data and calculated results. PROGRESS IN MATERIALS SCIENCE 87, p. 83 - 139, doi: 10.1016/j.pmatsci.2016.11.001
• Holec, D; Zhou, LC; Riedl, H; Koller, CM; Mayrhofer, PH; Friak, M; Sob, M; Kormann, F; Neugebauer, J; Music, D; Hartmann, MA; Fischer, FD, 2017: Atomistic Modeling-Based Design of Novel Materials. ADVANCED ENGINEERING MATERIALS 19(4), doi: 10.1002/adem.201600688

2016

• Pavlu, J; Vrest´al, J; Sob, M, 2016: Ab initio study of energetics and magnetism of sigma phase in Co-Mo and Fe-Mo systems. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 24(2), doi: 10.1088/0965-0393/24/2/025009
• Zouhar, M; Sob, M, 2016: Ab initio study of deformed As, Sb, and Bi with an application to thin films. PHYSICAL REVIEW B 94(18), doi: 10.1103/PhysRevB.94.184110
• Cerny, M; Sestak, P; Rehak, P; Vsianska, M; Sob, M, 2016: Ab initio tensile tests of grain boundaries in the fcc crystals of Ni and Co with segregated sp-impurities. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING 669, p. 218 - 225, doi: 10.1016/j.msea.2016.05.083
• Kana, T; Huger, E; Legut, D; Cak, M; Sob, M, 2016: Magnetism and deformation of epitaxial Pd and Rh thin films. PHYSICAL REVIEW B 93(13), doi: 10.1103/PhysRevB.93.134422

2015

• Paidar, V; Cak, M; Sob, M; Inui, H, 2015: What Types of Stacking Faults and Dislocation Dissociations Can Be Found in Transition-Metal Disilicides. ACTA PHYSICA POLONICA A 128(4), p. 589 - 591, doi: 10.12693/APhysPolA.128.589
• Pavlu, J; Rehak, P; Vrestal, J; Sob, M, 2015: Combined quantum-mechanical and Calphad approach to description of heat capacity of pure elements below room temperature. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY 51, p. 161 - 171, doi: 10.1016/j.calphad.2015.08.006
• Pokluda, J; Cerny, M; Sob, M; Umeno, Y., 2015: Ab initio calculations of mechanical properties: Methods and applications. PROGRESS IN MATERIALS SCIENCE 73, p. 127 - 158, doi: 10.1016/j.pmatsci.2015.04.001
• KROUPA, A.; KÁŇA, T.; BURŠÍK, J.; ZEMANOVÁ, A.; ŠOB, M., 2015: Modelling of phase diagrams of nanoalloys with complex metallic phases: application to Ni-Sn. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 17(42), p. 28200 - 28210, doi: 10.1039/c5cp00281h
• Rehak, P; Cerny, M; Sob, M, 2015: Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 23(5), doi: 10.1088/0965-0393/23/5/055010
• Herz, A; Friak, M; Rossberg, D; Hentschel, M; Theska, F; Wang, D; Holec, D; Sob, M; Schneeweiss, O; Schaaf, P, 2015: Facet-controlled phase separation in supersaturated Au-Ni nanoparticles upon shape equilibration. APPLIED PHYSICS LETTERS 107(7), doi: 10.1063/1.4928627
• Paidar, V; Cak, M; Sob, M; Inui, H, 2015: Planar defects and dislocations in transition-metal disilicides. INTERMETALLICS 58, p. 43 - 49, doi: 10.1016/j.intermet.2014.11.003

2014

• Zhang, L; Sob, M; Wu, Z; Zhang, Y; Lu, GH, 2014: Characterization of iron ferromagnetism by the local atomic volume: from three-dimensional structures to isolated atoms. JOURNAL OF PHYSICS-CONDENSED MATTER 26(8), doi: 10.1088/0953-8984/26/8/086002
• Lejcek, P; Sob, M, 2014: An analysis of segregation-induced changes in grain boundary cohesion in bcc iron. JOURNAL OF MATERIALS SCIENCE 49(6), p. 2477 - 2482, doi: 10.1007/s10853-013-7943-z
• Strof, J; Pavlu, J; Wdowik, UD; Bursik, J; Sob, M; Vrest´al, J, 2014: Laves phases in the V-Zr system below room temperature: Stability analysis using ab initio results and phase diagram. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY 44, p. 62 - 69, doi: 10.1016/j.calphad.2013.08.003
• Lejcek, P; Zheng, L; Hofmann, S; Sob, M, 2014: Applied Thermodynamics: Grain Boundary Segregation. ENTROPY 16(3), p. 1462 - 1483, doi: 10.3390/e16031462

2013

• Lejcek, P; Sob, M; Paidar, V; Vitek, V, 2013: Why calculated energies of grain boundary segregation are unreliable when segregant solubility is low. SCRIPTA MATERIALIA 68(8), p. 547 - 550, doi: 10.1016/j.scriptamat.2012.11.019
• Cerny, M; Sestak, P; Pokluda, J; Sob, M, 2013: Shear instabilities in perfect bcc crystals during simulated tensile tests. PHYSICAL REVIEW B 87(1), doi: 10.1103/PhysRevB.87.014117
• Hemzalova, P; Friak, M; Sob, M; Ma, D; Udyansky, A; Raabe, D; Neugebauer, J, 2013: Ab initio study of thermodynamic, electronic, magnetic, structural, and elastic properties of Ni4N allotropes. PHYSICAL REVIEW B 88(17), doi: 10.1103/PhysRevB.88.174103

2012

• Kana, T; Sob, M, 2012: Mechanical and magnetic properties of Mn-Pt compounds and nanocomposites. PHYSICAL REVIEW B 85(21), doi: 10.1103/PhysRevB.85.214438
• Pavlu, J; Sob, M, 2012: AB INITIO STUDY OF C14 LAVES PHASES IN Fe-BASED SYSTEMS. JOURNAL OF MINING AND METALLURGY SECTION B-METALLURGY 48(3), p. 395 - 401, doi: 10.2298/JMMB120704050P
• SOB, M.;A. KROUPA;J. PAVLU;J. VRESTAL., 2012: Application of Ab Initio Results in Modeling Phase Diagrams Containing Complex Phases. JOURNAL OF SOLID MECHANICS AND MATERIALS ENGINEERING 6, p. 39 - 47

2011

• Vsianska, M; Sob, M, 2011: The effect of segregated sp-impurities on grain-boundary and surface structure, magnetism and embrittlement in nickel. PROGRESS IN MATERIALS SCIENCE 56(6), p. 817 - 840, doi: 10.1016/j.pmatsci.2011.01.008
• Vsianska, M; Sob, M, 2011: Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel. PHYSICAL REVIEW B 84(1), doi: 10.1103/PhysRevB.84.014418
• Friak, M; Hickel, T; Kormann, F; Udyansky, A; Dick, A; von Pezold, J; Ma, D; Kim, O; Counts, WA; Sob, M; Gebhardt, T; Music, D; Schneider, J; Raabe, D; Neugebauer, J, 2011: Determining the Elasticity of Materials Employing Quantum-mechanical Approaches: From the Electronic Ground State to the Limits of Materials Stability. STEEL RESEARCH INTERNATIONAL 82(2), p. 86 - 100, doi: 10.1002/srin.201000264
• Kana, T; Sob, M; Vitek, V, 2011: Ab initio study of phase transformations in transition-metal disilicides. INTERMETALLICS 19(7), p. 919 - 926, doi: 10.1016/j.intermet.2011.02.010
• Zeleny, M; Friak, M; Sob, M, 2011: Ab initio study of energetics and magnetism of Fe, Co, and Ni along the trigonal deformation path. PHYSICAL REVIEW B 83(18), doi: 10.1103/PhysRevB.83.184424

2010

• Pavlu, J; Vrestal, J; Sob, M, 2010: Ab initio study of formation energy and magnetism of sigma phase in Cr-Fe and Cr-Co systems. INTERMETALLICS 18(2), p. 212 - 220, doi: 10.1016/j.intermet.2009.07.018
• Huger, E; Kana, T; Sob, M, 2010: A mechanism of inhibition of phase transitions in nano-grained close-packed Pd thin films. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY 34(4), p. 421 - 427, doi: 10.1016/j.calphad.2010.07.009
• Legut, D; Friak, M; Sob, M, 2010: Phase stability, elasticity, and theoretical strength of polonium from first principles. PHYSICAL REVIEW B 81(21), doi: 10.1103/PhysRevB.81.214118
• Pavlu, J; Vrest´al, J; Sob, M, 2010: 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 34(2), p. 215 - 221, doi: 10.1016/j.calphad.2010.03.003

• Struktura, magnetismus a pevnost rozhraní v pokročilých kovových materiálech, Grantová agentura ČR, 2014 - 2016
• Komplexní studium fázových diagramů pokročilých kovových materiálů, kombinující ab initio a semiempirické modelování s experimentálními postupy (GA14-15576S), Grantová agentura ČR, 2014 - 2016
• CEITEC - Central European Institute of Technology (CZ.1.05/1.1.00/02.0068), Ministerstvo školství, mládeže a tělovýchovy ČR, 2011 - 2015
• Zaměstnáním nejlepších mladých vědců k rozvoji mezinárodní spolupráce (CZ.1.07/2.3.00/30.0037), Ministerstvo školství, mládeže a tělovýchovy ČR, 2013 - 2015
• Metal oxides and phosphates as nuclear waste forms: Sonochemical precipitation, thermal transformations, and solubility studies (GAP207/11/0555), Czech Science Foundation - Standard Grants, 2011 - 2014
• Behaviour of geochemical „twins“ Al/Ga and Si/Ge in different types of acid silicate melts (GAP210/10/1309), Czech Science Foundation - Standard Grants, 2010 - 2013
• Víceúrovňový design pokrokových materiálů (GD106/09/H035), Grantová agentura ČR, 2009 - 2012
• Termodynamika intermetalických fází z pohledu teoretických a experimentálních přístupů (GAP108/10/1908), Grantová agentura ČR, 2010 - 2012