2022
2021
Friák M., Gracias J., Pavlů J., Šob M.: A quantum-mechanical study of antiphase boundaries in ferromagnetic B2-phase Fe2CoAl alloy. Magnetochemistry 7 (2021) 137
Wetzel M., Rabending T., Friák M., Všianská M., Šob M., Leineweber A.: Phase Stability of Iron Nitride Fe4N at High Pressure - Pressure-Dependent Evolution of Phase Equilibria in the Fe-N System. Materials 14 (2021) 3963
Friák M., Černý M., Šob M.: The Impact of Vibrational Entropy on the Segregation of Cu to Antiphase Boundaries in Fe3Al. Magnetochemistry 7 (2021) 108
Friák M., Mazalová M., Turek I., Zemanová A., Kastil J., Kamarad J., Míšek M., Arnold Z., Schneeweiss O., Všianská M., Zelený M., Kroupa A., Pavlů J., Šob M.: An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn. Materials 14 (2021) 523
Šesták P., Friák M., Šob M.: The Effect of Hydrogen on the Stress-Strain Response in Fe3Al: An ab initio Molecular-Dynamics Study. Materials 14 (2021) 4155
Friák M., Pavlů J., Šob M.: Impact of Disorder on Properties of Vacancies: A Case Study of B2 and A2 Polymorphs of Non-Stoichiometric Fe2CoAl. Crystals 11 (2021) 1207
Kamarad J., Kastil J., Friák M., Mazalová M., Schneeweiss O., Míšek M., Kaman O., Arnold Z.: Pressure study of magnetism in off-stoichiometric Ni2MnSn-based alloys. J. Magn. Magn. Mater. 539 (2021) 168345
2020
Dymáček P., Dobeš F., Jarý M., Jirásková Y., Pizúrová N., Friák M.: Small punch testing of Fe-Al based alloys with Ti and Nb additions. IOP Conf. Ser.: Mater. Sci. Eng. 723 (2020) 012006
Abdoshahi N., Spoerk-Erdely P., Friák M., Mayer S., Šob M., Holec D.: Ab initio study of chemical disorder as an effective stabilizing mechanism of bcc-based TiAl(+Mo). Phys. Rev. Mater. 4 (2020) 103604
Dobeš F., Dymáček P., Friák M.: Creep of Heusler-type alloy Fe-25Al-25Co. Crystals 10 (2020) 52
Friák M., Lago D., Koutná N., Holec D., Rebok T., Šob M.: Multi-phase ELAStic Aggregates (MELASA) software tool for modeling anisotropic elastic properties of lamellar composites. Computer Physics Communications 247 (2020) 106863
Friák M., Černý M., Všianská M., Šob M.: Impact of antiphase boundaries on structural, magnetic and vibrational properties of Fe3Al. Materials 13 (2020) 4884
Polsterová S., Friák M., Všianská M., Šob M.: Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles. Nanomaterials 10 (2020) 767
Friák M., Golian M., Holec D., Koutná N., Šob M.: An ab initio study of magnetism in disordered Fe-Al alloys with thermal antiphase boundaries. Nanomaterials 10 (2020) 44
Jirásková Y., Pizúrová N., Friák M., Janičkovič D.: Structural and Magnetic Study of Fe-Al20-(Ti, Nb) Alloys. Acta Phys. Pol. A 137 (2020) 835-838
Koutná N., Hahn R., Zálešák J., Friák M., Bartosik M., Keckes J., Šob M., Mayrhofer P., Holec D.: Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study. Mater. & Design 186 (2020) 108211
2019
Friák M., Všianská M., Šob M.: A quantum-mechanical study of clean and Cr-segregated antiphase boundaries in Fe3Al. Materials 12 (2019) 3954
Meng F., Zhen Y., Všianská M., Friák M., Šob M.: Theoretical investigations on structural, elastic, thermodynamic and electronic properties of Al3Ti and Al3V compounds in L12 structure under high pressure. Mat. Res. Express 6 (2019) 056536
Kamarad J., Friák M., Kastil J., Schneeweiss O., Šob M., Dlouhý A.: Effect of high pressure on magnetic properties of CrMnFeCoNi high entropy alloy. J. Magn. Magn. Mater. 487 (2019) 165333
Meng F., Všianská M., Friák M., Šob M.: Surface-induced magnetism in intermetallics: Ni3Ge compound as a case study. J. Magn. Magn. Mater. 474 (2019) 273-281
Friák M., Buršíková V., Pizúrová N., Pavlů J., Jirásková Y., Homola V., Miháliková I., Slávik A., Holec D., Všianská M., Koutná N., Fikar J., Janičkovič D., Šob M., Neugebauer J.: Elasticity of Phases in Fe-Al-Ti Superalloys: Impact of Atomic Order and Anti-Phase Boundaries. Crystals 9 (2019) 299
Miháliková I., Friák M., Koutná N., Holec D., Šob M.: An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases. Materials 12 (2019) 1430
Kotoul M., Skalka P., Profant T., Friák M., Řehák P., Šesták P., Černý M., Pokluda J.: Ab initio aided strain gradient elasticity theory in prediction of nanocomponent fracture. Mech. Mater. 136 (2019) 103074
Dymáček P., Dobeš F., Jirásková Y., Pizúrová N., Friák M.: Tensile, creep and fracture testing of prospective Fe-Al-based alloys using miniature specimens. Theor. Appl. Fract. Mech. 99 (2019) 18-26
Dobeš F., Dymáček P., Friák M.: The Influence of Niobium Additions on Creep Resistance of Fe-27 at. % Al Alloys. Metals 9 (2019) 739
Koutná N., Řehák P., Chen Z., Bartosik M., Fallmann M., Černý M., Zhang Z., Friák M., Šob M., Mayrhofer P., Holec D.: Correlating structural and mechanical properties of AlN/TiN superlattice films. Scr. Mater. 165 (2019) 159-163
Rao Z., Ponge D., Koermann F., Ikeda Y., Schneeweiss O., Friák M., Neugebauer J., Raabe D., Li Z.: Invar effects in FeNiCo medium entropy alloys: From an Invar treasure map to alloy design. Intermetallics 111 (2019) 106520
2018
Šesták P., Friák M., Holec D., Všianská M., Šob M.: Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study. Nanomaterials 8 (2018) 873
Miháliková I., Friák M., Jirásková Y., Holec D., Koutná N., Šob M.: Impact of Nano-Scale Distribution of Atoms on Electronic and Magnetic Properties of Phases in Fe-Al Nanocomposites: An Ab Initio Study. Nanomaterials 8 (2018) 1059
Friák M., Oweisová S., Pavlů J., Holec D., Šob M.: An ab initio study of thermodynamic and mechanical stability of Heusler-based Fe2AlCo polymorphs. Materials 11 (2018) 1543
Buršíková V., Homola V., Jirásková Y., Pizúrová N., Miháliková I., Friák M., Koutná N., Slávik A., Holec D., Šob M.: Study of Local Mechanical Properties of Fe78Al22 Alloy. Key Eng. Mater. 784 (2018) 27-32
Friák M., Zelený M., Všianská M., Holec D., Šob M.: An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Sigma5(210) Grain Boundaries in Ni3Si. Materials 11 (2018) 2263
Koutná N., Holec D., Friák M., Mayrhofer P., Šob M.: Stability and elasticity of metastable solid solutions and superlattices in the MoN-TaN system: First-principles calculations. Mater. & Design 144 (2018) 310-322
Friák M., Holec D., Šob M.: Quantum-Mechanical Study of Nanocomposites with Low and Ultra-Low Interface Energies. Nanomaterials 8 (2018) 1057
Jirásková Y., Pizúrová N., Titov A., Janičkovič D., Friák M.: Phase separation in Fe-Ti-Al alloy - Structural, magnetic, and Mossbauer study. J. Magn. Magn. Mater. 468 (2018) 91-99
Dobeš F., Dymáček P., Friák M.: Small punch creep of Fe-Al-Cr alloy with Ce addition and its relation to uniaxial creep tests. Kovové materiály 56 (2018) 205-212
Friák M., Kroupa P., Holec D., Šob M.: An Ab Initio Study of Pressure-Induced Reversal of Elastically Stiff and Soft Directions in YN and ScN and Its Effect in Nanocomposites Containing These Nitrides. Nanomaterials 8 (2018) 1049
Friák M., Holec D., Šob M.: An ab initio study of mechanical and dynamical stability of MoSi2. J. Alloys Comp. 746 (2018) 720-728
Friák M., Slávik A., Miháliková I., Holec D., Všianská M., Šob M., Palm M., Neugebauer J.: Origin of the low magnetic moment in Fe2AlTi: An ab initio study. Materials 11 (2018) 1732
Dobeš F., Dymáček P., Friák M.: Force-to-Stress Conversion Methods in Small Punch Testing Exemplified by Creep Results of Fe-Al Alloy with Chromium and Cerium Additions. IOP Conf. Ser.: Mater. Sci. Eng. 461 (2018) 012017
2017
Holec D., Zhou L., Riedl H., Koller C., Mayrhofer P., Friák M., Šob M., Koermann F., Neugebauer J., Music D.: Atomistic modeling-based design of novel materials. Adv. Eng. Mater. 19 (2017) 1600688
Friák M., Všianská M., Holec D., Šob M.: Quantum-mechanical study of tensorial elastic and high-temperature thermodynamic properties of grain boundary states in superalloy-phase Ni3Al. IOP Conf. Ser.: Mater. Sci. Eng. 219 (2017) 012019
Dey P., Nazarov R., Dutta B., Yao M., Herbig M., Friák M., Hickel T., Raabe D., Neugebauer J.: Ab initio explanation of disorder and off-stoichiometry in Fe-Mn-Al-C kappa-carbides. Phys. Rev. B 95 (2017) 104108
Friák M., Všianská M., Holec D., Zelený M., Šob M.: Tensorial elastic properties and stability of interface states associated with Sigma5(210) grain boundaries in Ni3(Al,Si). Sci. Technol. Adv. Mater. 18 (2017) 273-282
Sandloebes S., Friák M., Korte-Kerzel S., Pei Z., Neugebauer J., Raabe D.: A rare-earth free magnesium alloy with improved intrinsic ductility. Sci. Rep. 7 (2017) 10458
Pei Z., Zhang X., Hickel T., Friák M., Sandloebes S., Dutta B., Neugebauer J.: Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg. npj Comp. Mater. 3 (2017) 1-6
Schneeweiss O., Friák M., Dudová M., Holec D., Šob M., Kriegner D., Holý V., Beran P., George E., Neugebauer J., Dlouhý A.: Magnetic properties of the CrMnFeCoNi high-entropy alloy. Phys. Rev. B 96 (2017) 014437
2016
Střelcová Z., Kulhánek P., Friák M., Fabritius H., Petrov M., Neugebauer J., Koča J.: The structure and dynamics of chitin nanofibrils. RSC Advances 6 (2016) 30710-30721
Hüter C., Friák M., Weikamp M., Neugebauer J., Goldenfeld N., Svendsen B., Spatschek R.: Nonlinear elastic effects in phase field crystal simulations. Phys. Rev. B 93 (2016) 214105
Fabritius H., Ziegler A., Friák M., Nikolov S., Huber J., Seidl B., Ruangchai S., Alagboso F., Karsten S., Lu J., Janus A., Petrov M., Zhu L., Hemzalová P., Hild S., Raabe D., Neugebauer J.: Functional adaptation of crustacean exoskeletal elements. Bioinspir. & Biomim. 11 (2016) 055006
2015
Friák M., Tytko D., Holec D., Choi P., Eisenlohr P., Raabe D., Neugebauer J.: Synergy of atom-probe structural data and quantum-mechanical calculations in a theory-guided design of extreme-stiffness superlattices containing metastable phases. New J. Phys. 17 (2015) 093004
Pei Z., Friák M., Sandlöbes S., Nazarov R., Svendsen B., Raabe D., Neugebauer J.: Rapid theory-guided prototyping of ductile Mg alloys: from binary to multi-component materials. New J. Phys. 7 (2015) 093009
Herz A., Friák M., Rossberg D., Hentschel M., Theska F., Wang D., Holec D., Šob M., Schneeweiss O., Schaaf P.: Facet-controlled phase separation in supersaturated Au-Ni nanoparticles upon shape equilibration. Appl. Phys. Lett. 107 (2015) 073109
Ma D., Friák M., Pezold J., Neugebauer J., Raabe D.: Ab initio study of compositional trends in solid solution strengthening in metals with low Peierls stresses. Acta Mater. 98 (2015) 367-376
Ma D., Friák M., Pezold J., Raabe D., Neugebauer J.: Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation. Acta Mater. 85 (2015) 53-66
Pei Z., Ma D., Friák M., Svendsen B., Raabe D., Neugebauer J.: From generalized stacking fault energies to dislocation properties: Five-energy-point approach and solid solution effects in magnesium. Phys. Rev. B 92 (2015) 064107
2014
Haghighat H., Pezold J., Race C., Koermann F., Friák M., Neugebauer J., Raabe D.: Influence of the dislocation core on the glide of the 1/2{110} edge dislocation in bcc-iron. Comp. Mater. Sci. 87 (2014) 274-282
Holec D., Friák M., Dlouhý A., Neugebauer J.: Ab initio study of point defects in NiTi-based alloys. Phys. Rev. B 89 (2014) 014110
Friák M., Zhu L., Lymperakis L., Titrian H., Aydin U., Janus A., Fabritius H., Ziegler A., Nikolov S., Hemzalová P., Raabe D., Neugebauer J.: Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. Key Eng. Mater. 592-593 (2014) 335-341
Holec D., Tasnadi F., Wagner P., Friák M., Neugebauer J., Mayrhofer P., Keckes J.: Macroscopic elastic properties of textured ZrN-AlN polycrystalline aggregates: From ab initio calculations to grain-scale interactions. Phys. Rev. B 90 (2014) 184106
Sandlöbes S., Pei Z., Friák M., Zhu L., Wang F., Zaefferer S., Raabe D., Neugebauer J.: Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties. Acta Mater. 70 (2014) 92-104
2013
Zhu L., Friák M., Lymperakis L., Titrian H., Aydin U., Janus A., Fabritius H., Ziegler A., Nikolov S., Hemzalová P., Raabe D., Neugebauer J.: Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. J. Mech. Behav. Biomed. Mater. 20 (2013) 296-304
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
Petrov M., Lymperakis L., Friák M., Neugebauer J.: Ab initio based conformational study of the crystalline alpha-chitin. Biopolymers 99 (2013) 22-34
Sandlöbes S., Friák M., Neugebauer J., Raabe D.: Basal and non-basal dislocation slip in Mg-Y. Mater. Sci. Eng. A 576 (2013) 61-68
Ma D., Friák M., Pezold J., Raabe D., Neugebauer J.: Ab initio identified designing principles of solid solution strengthening in Al. Sci. Technol. Adv. Mater. 14 (2013) 025001
Pei Z., Zhu L., Friák M., Sandloebes S., Pezold J., Sheng H., Race C., Zaefferer S., Svendsen B., Raabe D., Neugebauer J.: Ab initio and atomistic study of generalized stacking fault energies in Mg and Mg-Y alloys. New J. Phys. 15 (2013) 043020
2011
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
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
Holec D., Friák M., Dlouhý A., Neugebauer J.: Ab initio study of pressure stabilized NiTi allotropes: Pressure-induced transformations and hysteresis loops. Phys. Rev. B 84 (2011) 224119
