Pevnost, křehkost a magnetismus kovových materiálů s čistými hranicemi zrn a hranicemi zrn se segregovanými nečistotami

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Černý M., Šesták P., Řehák P., Všianská M., Šob M.: Ab initio tensile tests of grain boundaries in the fcc crystals of Ni and Co with segregated sp-impurities. Mater. Sci. Eng. A 669 (2016) 218-225

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Pokluda J., Černý M., Šob M., Umeno Y.: Ab initio calculations of mechanical properties: Methods and applications. Prog. Mater. Sci. 58 (2015) 43-49

Řehák P., Černý M., Šob M.: Mechanical stability of Ni and Ir under hydrostatic and uniaxial loading. Model. Simul. Mater. Sci. Eng. 23 (2015) 055010

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Lejček P., Zheng L., Hofmann S., Šob M.: Applied Thermodynamics: Grain Boundary Segregation. Entropy 16 (2014) 1462-1483

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

Černý M., Šesták P., Pokluda J., Šob M.: Shear instabilities in perfect bcc crystals during simulated tensile tests. Phys. Rev. B 87 (2013) 014117

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