Mgr. Martin Friák, Ph.D.

---

Kastil J., Kamarad J., Friák M., Míšek M., Dutta U., Král P., Kaman O., Arnold Z.: Cluster spin glass in off-stoichiometric Ni2.01Mn1.58Sn0.41 alloy. Intermetallics 161 (2023) 107995

Gehringer D., Friák M., Holec D.: Models of configurationally-complex alloys made simple. Computer Physics Communications 286 (2023) 108664

Friák M., Nhu T., Meduňa M., Gazdová K., Pavlů J., Munzar D., Hong N.: Vacancy-induced magnetic states in TiO2 surfaces. J. Appl. Phys. 134 (2023) 013902

Papež P., Zelený M., Friák M., Dlouhý I.: The effect of spin-polarization, atomic ordering and charge transfer on the stability of CoCrNi medium entropy alloy. Mater. Chem. Phys. 304 (2023) 127783

---

Friák M., Masničák N., Schneeweiss O., Roupcová P., Michalcová A., Msallamová Š., Šob M.: Multi-methodological study of temperature trends in Mössbauer effect in Sn. Comp. Mater. Sci. 215 (2022) 111780

Miháliková I., Pivoluska M., Plesch M., Friák M., Nagaj D., Šob M.: The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry. Nanomaterials 12 (2022) 243

Jirásková Y., Pizúrová N., Buršík J., Friák M., Čížek J., Vlasák T., Čegan T., Nikodym M., Luňáček J.: Magneto-structural correlations in Fe-25 at%Al influenced by substitution of Fe by Co and by thermal treatment. J. Alloys Comp. 904 (2022) 163996

Abdoshahi N., Dehghani M., Ruban A., Friák M., Šob M., Spitaler J., Holec D.: On the energetics of the cubic-to-hexagonal transformations in TiAl+Mo alloys. Acta Mater. 240 (2022) 118268

Friák M., Černý M., Šob M.: Temperature-dependent impact of antiphase boundaries on properties of Fe3Al. Intermetallics 151 (2022) 107746

Miháliková I., Friák M., Pivoluska M., Plesch M., Saip M., Šob M.: Best-Practice Aspects of Quantum-Computer Calculations: A Case Study of the Hydrogen Molecule. Molecules 27 (2022) 597

Miroshkina O., Eggert B., Lill J., Beckmann B., Koch D., Hu M., Lojewski T., Rauls S., Schaubel F., Taubel A., Šob M., Ollefs K., Gutfleisch O., Wende H., Gruner M., Friák M.: Impact of magnetic and antisite disorder on the vibrational densities of states in Ni2MnSn Heusler alloys. Phys. Rev. B 106 (2022) 214302

Friák M., Mazalová M., Turek I., Schneeweiss O., Kastil J., Kamarad J., Šob M.: Pressure-Induced Increase of the Total Magnetic Moment in Ferrimagnetic Ni1.9375Mn1.5625Sn0.5 Martensite: A Quantum-Mechanical Study. Mater. Trans. 63 (2022) 430-435


Friák M., Zelený M., Mazalová M., Miháliková I., Turek I., Kastil J., Kamarad J., Míšek M., Arnold Z., Schneeweiss O., Šob M.: The impact of disorder on the 4O-martensite of Ni-Mn-Sn Heusler alloy. Intermetallics 151 (2022) 107708

---

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

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

Polsterová S., Všianská M., Friák M., Pizúrová N., Sokovnin S., Šob M.: AB INITIO STUDY OF SILVER NANOPARTICLES, GRAIN BOUNDARIES AND THEIR QUADRUPLE JUNCTIONS. NANOCON 2021 Conference Proceedings 2021 (2021) 344-350

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

Kamarad J., Kastil J., Friák M., Mazalová M., Schneeweiss O., Arnold Z.: Effect of hydrostatic pressure on magneto-crystalline anisotropy of Heusler Ni2MnSn-based alloy. High Pressure Research 41 (2021) 405-413

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

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

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., Gracias J., Pavlů J., Šob M.: A quantum-mechanical study of antiphase boundaries in ferromagnetic B2-phase Fe2CoAl alloy. Magnetochemistry 7 (2021) 137

---

Polsterová S., Friák M., Všianská M., Šob M.: Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles. Nanomaterials 10 (2020) 767

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

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

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

Dobeš F., Dymáček P., Friák M.: Creep of Heusler-type alloy Fe-25Al-25Co. Crystals 10 (2020) 52

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

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

---

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

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

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

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

Dobeš F., Dymáček P., Friák M.: The Influence of Niobium Additions on Creep Resistance of Fe-27 at. % Al Alloys. Metals 9 (2019) 739

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

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

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

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

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., 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

---

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

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

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

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

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

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

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

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

Friák M., Holec D., Šob M.: Quantum-Mechanical Study of Nanocomposites with Low and Ultra-Low Interface Energies. Nanomaterials 8 (2018) 1057

Friák M., Holec D., Šob M.: An ab initio study of mechanical and dynamical stability of MoSi2. J. Alloys Comp. 746 (2018) 720-728

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., 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

---

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

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

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

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

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

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

---

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

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

---

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

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

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

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

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

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

---

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

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

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., Friák M., Dlouhý A., Neugebauer J.: Ab initio study of point defects in NiTi-based alloys. Phys. Rev. B 89 (2014) 014110

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

---

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

Petrov M., Lymperakis L., Friák M., Neugebauer J.: Ab initio based conformational study of the crystalline alpha-chitin. Biopolymers 99 (2013) 22-34

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

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

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

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

---

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

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

Číslo	Název
22-05801S	Příčiny a mechanismus degradace slitin cínu s nízkým obsahem legujících prvků
20-16130S	Multifunkční vlastnosti práškovaných intermetalických slitin Ni-Mn-Sn
8J18AT008	Teorií vedený vývoj nových supermřížkových nanokompozitů
17-22139S	Teorií vedený vývoj nových superslitin na bázi Fe-Al