Institute of Physics of Materials AS CR, v. v. i. > People > Gröger Roman

doc. Ing. Roman Gröger, Ph.D.

Phone number+420 532 290 448
E-mail[javascript protected email address]
Researcher IDG-3608-2010
Positionhead - Multiscale Modelling and Measurements of Physical Properties


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

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

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


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


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

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

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

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

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


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

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

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

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


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

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

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

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


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

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

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

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


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

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

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


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


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


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


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


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


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


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


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

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


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

Number of ProjectName
CZ.01.1.02/0.0/0.0/20_358/0023778 Correlative measurements of the magnetic properties of surface
FW01010183 Next Generation of Integrated Atomic Force and Scanning Electron Microscopy (GEFSEM)
19-23411S Interplay of plasticity and magnetism in alpha-iron and chromium
16-13797S Origin and mechanism of anomalous slip in non-magnetic bcc metals
P204/10/0255 Calculation of the Peierls barrier in bcc metals and its dependence on stress
Marie-Curie International Reintegration Grant (IRG), No. 247705 “MesoPhysDef” Mesoscopic framework for modeling physical processes in multiphase materials with defects