Ústav fyziky materiálů AV ČR, v. v. i. > Institute of Physics of Materials > Publications

2023

Kloenne Z., Couzinié J., Heczko M., Gröger R., Viswanathan G., Clark W., Fraser H.: On the bcc/B2 interface structure in a refractory high entropy alloy. Scr. Mater. 223 (2023) 115071

Gröger R., Holzer J., Kruml T.: Twinning and antitwinning in body-centered cubic metals. Comp. Mater. Sci. 216 (2023) 111874



2022

Verma R., Král L., Ostapovec A.: Faceting of {11-26} twin interfaces in rolled pure magnesium. Philos. Mag. 102 (2022) 861-874

Holzer J., Gamanov Š., Luptáková N., Dlouhý A., Svoboda J.: Coarsening Kinetics of Y2O3 Dispersoid in New Grade of Fe-Al-Cr-Based ODS Alloy. Metals 12 (2022) 12020210

Pizúrová N., Buršík J., Sojková T., Roupcová P., Schneeweiss O.: Magnetic properties and morphology of ultra-small iron oxide nanoparticles. J. Phys.: Conf. Series 2315 (2022) 012023

Bajtošová L., Křivská ., Králík ., Veselý J., Hanuš J., Harcuba P., Fikar J., Yadav A., Cieslar M.: Deformation mechanisms of Al thin films: In-situ TEM and molecular dynamics study. Scr. Mater. 215 (2022) 114688

Svoboda J., Bořil P., Holzer J., Luptáková N., Jarý M., Mašek B., Dymáček P.: Substantial Improvement of High Temperature Strength of New-Generation Nano-Oxide-Strengthened Alloys by Addition of Metallic Yttrium. Materials 15 (2022) 15020504

Gröger R.: Origin of variable propensity for anomalous slip in body-centered cubic metals. Model. Simul. Mater. Sci. Eng. 30 (2022) 085007

Gamanov Š., Holzer J., Roupcová P., Svoboda J.: High temperature oxidation kinetics of Fe 10Al 4Cr 4Y2O3 ODS alloy at 1200 1400 C. Corros. Sci. 206 (2022) 110498

Ostapovec A., Verma R., Serra A.: Unravelling the nucleation and growth of {1 1 -2 2} twins. Scr. Mater. 215 (2022) 114730

Vrchovecká K., Weiser A., Přibyl J., Kuta J., Holzer J., Pávková Goldbergová M., Sobola D., Dlouhý A.: A release of Ti-ions from nanostructured titanium oxide surfaces. Surfaces and Interfaces 29 (2022) 101699



2021

Ostapovec A., K. K., Máthis K., Šiška F.: Interaction of Migrating Twin Boundaries with Obstacles in Magnesium. Metals 11 (2021) 154

Gröger R.: Symmetry-adapted single crystal yield criterion for non-Schmid materials. Int. J. Plast. 146 (2021) 103101

Holzer J., Marshall A., Stejskal P., Stephens C., Vystavěl T.: Large area EBSD mapping using a tilt-free configuration and direct electron detection sensor. Microscopy and Microanalysis 27 (2021) 1832-1835

Marshall A., Holzer J., Stejskal P., Stephens C., Vystavěl T., Whiting M.: The EBSD spatial resolution of a Timepix-based detector in a tilt-free geometry. Ultramicroscopy 226 (2021) 113294

Vacek P., Frentrup M., Lee L., Massabuau F., Kappers M., Wallis D., Gröger R., Oliver R.: Defect structures in (001) zincblende GaN/3C-SiC nucleation layers. J. Appl. Phys. 129 (2021) 155306

Heczko M., Mazánová V., Gröger R., Záležák T., Hooshmand M., George E., Mills M., Dlouhý A.: Elemental segregation to lattice defects in the CrMnFeCoNi high-entropy alloy during high temperature exposures. Acta Mater. 208 (2021) 116719

Bajtošová L., Králík ., Křivská ., Veselý J., Fikar J., Cieslar M.: In-situ TEM deformation of free-standing thin films and molecular dynamics simulations. AIP Conference Proceedings 2411 (2021) 030002

Tinoco Navarro H., Hutař P., Kruml T., Holzer J.: Modeling of elastoplastic behavior of freestanding square thin films under bulge testing. Acta Mech. 232 (2021) 2715-2731

Kvashin N., Ostapovec A., Anento N., Serra A.: On the migration of {332}<110> tilt grain boundary in bcc metals and further nucleation of {112} twin. Comp. Mater. Sci. 196 (2021) 110509

Holzer J., Chlup Z., Kruml T., Gröger R.: Plastic deformation of magnetically isotropic Cr single crystals compressed at 77 K. Int. J. Plast. 138 (2021) 102938

Gröger R., Šremr J., Vydrová J.: Uniqueness and stability of activated dislocation shapes in crystals. Model. Simul. Mater. Sci. Eng. 29 (2021) 025006

Pal-Val P., Vatazhuk O., Ostapovec A., Král L., Pinc J.: Thermoactivated Dislocation Motion in Rolled and Extruded Magnesium: Data of the Low-Temperature Acoustic Experiment . Metals 11 (2021) 1647

Tinoco Navarro H., Holzer J., Pikálek T., Sobota J., Fořt T., Matějka M., Kruml T., Hutař P.: Determination of the yield stress in Al thin film by applying bulge test. Journal of Physics: Conference Series 1777 (2021) 012030



2020

Ostapovec A., Serra A.: Review of Non-Classical Features of Deformation Twinning in hcp Metals and Their Description by Disconnection Mechanisms . Metals 10 (2020) 1134-1154

Antoš Z., Vacek P., Gröger R.: Intersections of two stacking faults in zincblende GaN. Comp. Mater. Sci. 180 (2020) 109620

Gröger R., Vítek V.: Single crystal yield criterion for chromium based on atomistic studies of isolated 1/2[111] screw dislocations. Int. J. Plast. 132 (2020) 102733

Gröger R., Vítek V., Dlouhý A.: Effective pair potential for random fcc CoCrFeMnNi alloys. Model. Simul. Mater. Sci. Eng. 28 (2020) 075006

Fikar J., Schäublin R.: Stability of small vacancy clusters in tungsten by molecular dynamics. Nucl. Instr. Meth. Phys. Res. B 464 (2020) 56-59



2019

Heczko M., Esser B., Gröger R., Feng L., Mazánová V., Wang Y., Mills M.: Structure, Morphology and Coarsening Behavior of MX (NbC) Nanoprecipitates in Fe-Ni-Cr Based Alloys. Microscopy and Microanalysis 25 (2019) 2612-2613

Gröger R., Chlup Z., Sojková T., Kuběna I.: Interplay of slip and twinning in niobium single crystals compressed at 77 K. J. Mater. Res. 34 (2019) 261-270

Que Z., Seifert H., Spätig P., Zhang A., Holzer J., Rao G., Ritter S.: Effect of dynamic strain ageing on environmental degradation of fracture resistance of low-alloy RPV steels in high-temperature water environments. Corros. Sci. 152 (2019) 172-189

Que Z., Seifert H., Spätig P., Zhang A., Holzer J., Rao G., Ritter S.: Degradation Effects of Hydrogen and High-Temperature Water Environment on the Fracture Resistance of Low-Alloy RPV Steels. The Minerals, Metals & Materials Series (2019) 934-948

Brož P., Zelenka F., Sopoušek J., Hejduková M., Sojková T., Zobač O.: Thermal analysis and Knudsen effusion mass spectrometry combined in a specially-adapted commercial skimmer coupled instrument (Netzsch). CALPHAD 65 (2019) 86-92

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

Que Z., Seifert H., Spätig P., Holzer J., Zhang A., Rao G., Ritter S.: Environmental degradation of fracture resistance in high-temperature water environments of low-alloy reactor pressure vessel steels with high sulphur or phosphorus contents. Corros. Sci. 154 (2019) 191-207

Gröger R., Vítek V.: Impact of non-Schmid stress components present in the yield criterion for bcc metals on the activity of {110}<111> slip systems. Comp. Mater. Sci. 159 (2019) 297-305

Vacek P., Kostelník P., Gröger R.: Correlation of Structure and EBIC Contrast from Threading Dislocations in AlN/Si Films. Phys. Stat. Sol. B 256 (2019) 1900279

Ostapovec A., Serra A., Pond R.: Non-diffusional growth mechanism of I1 basal stacking-faults inside twins in hcp metals. Scr. Mater. 172 (2019) 149-153

Ostapovec A., Gornakova A.: On faceting of {10 -11} and {10-12} twin boundaries in hcp metals. Mater. Lett. 247 (2019) 99-101

Tinoco Navarro H., Holzer J., Pikálek T., Buchta Z., Lazar J., Chlupová A., Kruml T., Hutař P.: Determination of elastic parameters of Si3N4 thin films by means of a numerical approach and bulge tests. Thin Solid Films 672 (2019) 66-74



2018

Paidar V., Ostapovec A., Káňa T.: Dislocation Content of Non-Classical Twin Boundaries in Hexagonal Metals . Acta Phys. Pol. A 134 (2018) 692-694

Gröger R., Chlup Z., Sojková T.: Deformation twinning in vanadium single crystals tested in compression at 77 K. Mater. Sci. Eng. A 737 (2018) 413-421

Káňa T., Ostapovec A., Paidar V.: The matrix-twin transition in a perfect Mg crystal: Ab initio study. Int. J. Plast. 108 (2018) 186-200

Ostapovec A., Sheikh-Ali A.: Misorientation dependence of atomic structure and energy of symmetric tilt boundaries in magnesium. Philos. Mag. 98 (2018) 3235-3246

Fikar J., Schäublin R., Mason D., Nguyen-Manh D.: Nano-sized prismatic vacancy dislocation loops and vacancy clusters in tungsten. Nucl. Mater. Energy 16 (2018) 60-65

Čížek J., Brožek V., Chráska T., Lukáč F., Medřický J., Mušálek R., Tesař T., Šiška F., Antoš Z., Čupera J., Matějková M., Špotz Z., Houdková S., Kverka M.: Silver-Doped Hydroxyapatite Coatings Deposited by Suspension Plasma Spraying . J. Thermal Spray Technol. 27 (2018) 1333-1343

Ostapovec A., Čapek J., Paidar V.: Secondary twinning in zinc. Philos. Mag. Lett. 98 (2018) 437-445

Sun Q., Ostapovec A., Zhang X., Tan L., Liu Q.: Investigation of twin-twin interaction in deformed magnesium alloy. Philos. Mag. 98 (2018) 741-751

Ostapovec A., Vatazhuk O.: Non-Schmid behavior of extended dislocations in computer simulations of magnesium. Comp. Mater. Sci. 142 (2018) 261-267

Gröger R., Chlup Z., Kuběna I., Kruml T.: Slip activity in molybdenum single crystals compressed at 77 K. Philos. Mag. 98 (2018) 2749-2768

Ostapovec A., Paidar V.: Some aspects of double twinning in hexagonal metals. Low Temp. Phys. 44 (2018) 1241-1244

K. K., Ostapovec A.: Variability of Twin Boundary Structure in Computer Simulations of Tensile Twins in Magnesium. Defect Diffus. Forum 385 (2018) 241-244



2017

Fikar J., Gröger R., Schäublin R.: Interaction of irradiation-induced prismatic dislocation loops with free surfaces in tungsten. Nucl. Instr. Meth. Phys. Res. B 393 (2017) 186-189

Fikar J., Gröger R., Schäublin R.: Effect of orientation of prismatic dislocation loops on interaction with free surfaces in BCC iron. J. Nucl. Mater. 497 (2017) 161-165

Gröger R., Vítek V., Lookman T.: Mesoscale plastic texture in body-centered cubic metals under uniaxial load. Phys. Rev. Mater. 1 (2017) 063601

Paidar V., Ostapovec A.: The balance between the energies of the symmetric (10-12) twin boundaries and asymmetric basal/prismatic interfaces in hcp metals. Mater. Lett. 198 (2017) 93-96

Holzer J., Pikálek T., Buchta Z., Lazar J., Tinoco Navarro H., Chlupová A., Kruml T.: DEVELOPMENT OF THE BULGE TEST EQUIPMENT FOR MEASURING MECHANICAL PROPERTIES OF THIN FILMS. METAL 2017 Conf. Proc 26 (2017) 1053-1058

Ostapovec A., Buršík J., Krahula K., Král L., Serra A.: On the relationship between (1 1 -2 2) and (1 1 -2 6) conjugate twins and double extension twins in rolled pure Mg. Philos. Mag. 97 (2017) 1088-1101

Hernandez-Maldonado D., Gröger R., Ramasse Q., Hirsch P., Nellist P.: Evaluation of aberration-corrected optical sectioning for exploring the core structure of 1/2[111] screw dislocations in BCC metals. Microscopy and Microanalysis 23 (2017) 432-433

Ostapovec A., Serra A.: Slip dislocation and twin nucleation mechanisms in hcp metals. J. Mater. Sci. 52 (2017) 533-540

Ostapovec A., Vatazhuk O.: Peierls barriers of a-type edge and screw dislocations moving on basal and prismatic planes in magnesium. Low Temp. Phys. 43 (2017) 421-427



2016

Fikar J., Gröger R.: Shape of small prismatic dislocation loops in tungsten and iron. Solid State Phenom. 258 (2016) 97-101

Gröger R., Marchand B., Lookman T.: Dislocations via incompatibilities in phase-field models of microstructure evolution. Phys. Rev. B 94 (2016) 054105

Gröger R., Lookman T.: Mesoscopic description of dislocation patterning using the concept of incompatibility of strains. Solid State Phenom. 258 (2016) 87-92

Hernandez-Maldonado D., Yang H., Jones L., Gröger R., Hirsch P., Ramasse Q., Nellist P.: STEM optical sectioning for imaging screw dislocations core structures in BCC metals. Microscopy and Microanalysis 22 (2016) 1932-1933



2015

Gröger R., Leconte L., Ostapovec A.: Structure and stability of threading edge and screw dislocations in bulk GaN. Comp. Mater. Sci. 99 (2015) 195-202

Fikar J., Gröger R.: Interactions of prismatic dislocation loops with free surfaces in thin foils of body-centered cubic iron. Acta Mater. 99 (2015) 392-401

Gröger R., Vítek V.: Determination of positions and curved transition pathways of screw dislocations in BCC crystals from atomic displacements. Mater. Sci. Eng. A 643 (2015) 203-210

Ostapovec A., Buršík J., Gröger R.: Deformation due to migration of faceted twin boundaries in magnesium and cobalt. Philos. Mag. 95 (2015) 4106-4117

Ostapovec A., Serra A.: Evolution of Matrix-Twin Interfaces of (1 0 -1 2) Twin in Magnesium. Acta Phys. Pol. A 128 (2015) 661-663



2014

Ostapovec A., Molnár P., Lejček P.: Boundary plane distribution for 13 grain boundaries in magnesium. Mater. Lett. 137 (2014) 102-105

Ostapovec A., Molnár P., Gröger R.: On basal-prismatic twinning interfaces in magnesium. IOP Conf. Ser.: Mater. Sci. Eng. 63 (2014) 012134

Ostapovec A., Serra A.: Characterization of the matrix-twin interface of a (1012) twin during growth. Philos. Mag. 94 (2014) 2827-2839

Gröger R.: Thermodynamics of dislocation pattern formation at the mesoscale. Key Eng. Mater. 592-593 (2014) 79-82

Gröger R.: Which stresses affect the glide of screw dislocations in bcc metals?. Philos. Mag. 94 (2014) 2021-2030

Ostapovec A., Gröger R.: Twinning disconnections and basal-prismatic twin boundary in magnesium. Model. Simul. Mater. Sci. Eng. 22 (2014) 025015

Molnár P., Ostapovec A., Jäger A.: Reversible motion of twin boundaries in AZ31 alloy and new design of magnesium alloys as smart materials. Mater. & Design 56 (2014) 509-516



2013

Srivastava K., Gröger R., Weygand D., Gumbsch P.: Dislocation motion in tungsten: Atomistic input to discrete dislocation simulations. Int. J. Plast. 47 (2013) 126-142

Gröger R., Vítek V.: Stress dependence of the Peierls barrier of 1/2<111> screw dislocations in bcc metals. Acta Mater. 61 (2013) 6362-6371



2012

Gröger R., Vítek V.: Constrained Nudged Elastic Band calculation of the Peierls barrier with atomic relaxations. Model. Simul. Mater. Sci. Eng. 20 (2012) 035019



2011

Gröger R., Lookman T.: Influence of dislocations on the spatial variation of microstructure in martensites. Key Eng. Mater. 465 (2011) 77-80

Gröger R., Dudeck K., Nellist P., Vítek V., Hirsch P., Cockayne D.: Effect of Eshelby twist on core structure of screw dislocations in molybdenum: Atomic structure and electron microscope image simulations. Philos. Mag. 91 (2011) 2364



2010

Gröger R., Lookman T., Saxena A.: Incompatibility of strains and its application to mesoscopic studies of plasticity. Phys. Rev. B 82 (2010) 144104



2009

Gröger R., Vítek V.: Temperature and strain rate dependent flow criterion for bcc transition metals based on atomistic analysis of dislocation glide. Int. J. Mater. Res. 100 (2009) 315-321

Gröger R., Lookman T., Saxena A.: Atomistic studies of transformation pathways and energetics in plutonium. Philos. Mag. 89 (2009) 1779-1792

Gröger R., Vítek V.: Directional versus central-force bonding in studies of the structure and glide of 1/2<111> screw dislocations in bcc transition metals. Philos. Mag. 89 (2009) 3163-3178



2008

Gröger R., Racherla V., Bassani J., Vítek V.: Multiscale modeling of plastic deformation of molybdenum and tungsten: II. Yield criterion for single crystals based on atomistic studies of glide of 1/2<111> screw dislocations. Acta Mater. 56 (2008) 5412-5425

Gröger R., Bailey A., Vítek V.: Multiscale modeling of plastic deformation of molybdenum and tungsten: I. Atomistic studies of the core structure and glide of 1/2<111> screw dislocations at 0 K. Acta Mater. 56 (2008) 5401-5411

Gröger R., Vítek V.: Multiscale modeling of plastic deformation of molybdenum and tungsten: III. Effects of temperature and plastic strain rate. Acta Mater. 56 (2008) 5426-5439

Gröger R., Lookman T., Saxena A.: Defect-induced incompatibility of elastic strains: Dislocations within the Landau theory of martensitic phase transformations. Phys. Rev. B 78 (2008) 184101



2007

Gröger R., Vítek V.: Explanation of the discrepancy between the theoretical and measured yield stresses in body-centered cubic metals. Philos. Mag. Lett. 87 (2007) 113-120

Mrověc M., Gröger R., Bailey A., Nguyen-Manh D., Elsässer C., Vítek V.: Bond-order potential for simulations of extended defects in tungsten. Phys. Rev. B 75 (2007) 104119



2005

Gröger R., Vítek V.: Breakdown of the Schmid law in bcc molybdenum related to the effect of shear stress perpendicular to the slip direction. Mater. Sci. Forum 482 (2005) 123-126

Nguyen-Manh D., Cawkwell M., Gröger R., Mrověc M., Pořízek R., Pettifor D., Vítek V.: Dislocations in materials with mixed covalent and metallic bonding. Mater. Sci. Eng. A 400-401 (2005) 68-71



2004

Vítek V., Mrověc M., Gröger R., Bassani J., Racherla V., Yin L.: Effects of non-glide stresses on the plastic flow of single and polycrystals of molybdenum. Mater. Sci. Eng. A 387-389 (2004) 138-142