Teoretické a experimentální studium rozhraní a martensitických fázových transformací

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Lejček P., Šob M.: An analysis of segregation-induced changes in grain boundary cohesion in bcc iron. J. Mater. Sci. 49 (2014) 2477-2482

Zhang L., Šob M., Wu Z., Zhang Y., Lu G.: Characterization of iron ferromagnetism by the local atomic volume: from three-dimensional structures to isolated atoms. J. Phys.: Condens. Matter 26 (2014) 086002

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Lejček P., Šob M., Paidar V., Vítek V.: Why calculated energies of grain boundary segregation are unreliable when segregant solubility is low. Scr. Mater. 68 (2013) 547-550

Hemzalová P., Friák M., Šob M., Ma D., Udyansky A., Raabe D., Neugebauer J.: Ab initio study of thermodynamic, electronic, magnetic, structural, and elastic properties of Ni4N allotropes. Phys. Rev. B 88 (2013) 174103

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Káňa T., Šob M.: Mechanical and magnetic properties of Mn-Pt compounds and nanocomposites. Phys. Rev. B 85 (2012) 214438

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Friák M., Hickel T., Körmann F., Udyansky A., Dick A., Pezold J., Ma D., Kim O., Counts W., Šob M., Gebhardt T., Music D., Schneider J., Raabe D., Neugebauer J.: Determining the elasticity of materials employing quantum-mechanical approaches: From the electronic ground state to the limits of materials stability. Steel Res. Int. 82 (2011) 88-100

Všianská M., Šob M.: Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel. Phys. Rev. B 84 (2011) 014418

Káňa T., Šob M., Vítek V.: Transformation paths in transition-metal disilicides. Key Eng. Mater. 465 (2011) 61-64

Zelený M., Friák M., Šob M.: Ab initio study of energetics and magnetism of Fe, Co, and Ni along the trigonal deformation path. Phys. Rev. B 83 (2011) 184424

Všianská M., Šob M.: The effect of segregated sp-impurities on grain-boundary and surface structure, magnetism and embrittlement in nickel. Prog. Mater. Sci. 56 (2011) 817-840

Káňa T., Šob M., Vítek V.: Ab initio study of phase transformations in transition-metal disilicides. Intermetallics 19 (2011) 919-926