Teoretické a experimentální studium rozhraní a martensitických fázových transformací

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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

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

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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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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

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

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

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

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

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