Institute of Physics of Materials AS CR, v. v. i. > Groups > Structure of Phases and Thermodynamics Group

Structure of Phases and Thermodynamics Group

HeadRNDr. Aleš Kroupa, CSc.
E-mail [javascript protected email address]
Phone number+420 532 290 467, +420 532 290 474, +420 532 290 482
Room415, 409, 318

The research activity of the group is concentrated on:

  • Experimental study of materials microstructure in connection with phase transformations

  • Thermodynamic modelling of multicomponent alloy systems and kinetics of phase transformations

  • Diffusion processes in solids and diffusion of hydrogen in selected functional materials

The first topic includes application of electron microscopy, both scanning and transmission, x-ray microanalysis including, to the study of microstructure of wide range of materials. The study of relations between existing phases, their morphology and mechanical properties on advanced structural materials (high-chromium steels, magnesium alloys, nickel alloys) should be mentioned among the recent results. The second topic is based on the application of existing thermodynamic models for calculations of thermodynamic equilibria and phase diagrams modelling in multicomponent systems, and simulation of diffusional processes. The third topic is focused on the study of volume diffusion and diffusion along high-diffusivity paths, on chemical diffusion under concentration gradients in multiphase materials and weldments, and on the study of transport properties of hydrogen in Mg-based materials for energy storage.

The topics solved by the group in the last five years:

  • Advanced experimental and theoretical approaches to size-dependent phase diagrams of nanoalloys

  • Thermal and phase stability of advanced thermoelectric materials

  • Local microstructural changes induced by static and dynamic indentation in nanostructured and nanolaminate coatings

  • The link between microstructure and creep behaviour of precipitate strengthened alloys processed by ECAP

  • Mg diffusion in Mg-xNi and Mg-xNi-yX alloys with X = Zn, Ga, In, Si, Ge and Sn

  • Study of surface of selected Ni alloys exposed to molted halide salts

  • Carbon diffusion in carbon-supersaturated ferrite and austenite steels

  • Kinetics of hydrogen desorption in Mg-base alloys modified by selected interstitial elements


  • Porous material for hydrogen storage and the methods of its preparation (Pat. No. 302464)


NamePhone numbersRoomsE-mail
RNDr. Jiří Buršík, CSc., DSc. +420 532 290 473410 [javascript protected email address]
Ing. Tomáš Káňa, Ph.D. +420 532 290 423320 [javascript protected email address]
Ing. Lubomír Král, Ph.D. +420 532 290 427326 [javascript protected email address]
doc. Mgr. Jana Pavlů, Ph.D. +420 532 290 400310a [javascript protected email address]
RNDr. Milan Svoboda, CSc. +420 532 290 474409 [javascript protected email address]
Dr. Sanjay Gopal Ullattil +420 532 290 422319 [javascript protected email address]
Ing. Adéla Zemanová, Ph.D. +420 532 290 402302 [javascript protected email address]
Mgr. Ondřej Zobač, Ph.D. +420 532 290 401302 [javascript protected email address]

Phd students

NamePhone numbersRoomsE-mail
Mgr. Ing. Sabina Kovaříková Oweis +420 532 290 424322 [javascript protected email address]
Mgr. Dávid Mikšík +420 532 290 424322

Diploma students

NamePhone numbersRoomsE-mail
Bc. Jakub Kolář +420 532 290 427326 [javascript protected email address]
David Novák +420 532 290 478405

Project numberNameInvestigator
CZ.02.01.01/00/22_008/0004631 Materials and technologies for sustainable development (MATUR)Ing. Petr Miarka, Ph.D.
8J23AT006 Synthesis and characterization of intermetallic supported nanoparticles.Mgr. Ondřej Zobač, Ph.D.
22-22187S The theoretical and experimental study of the Al-Ge-Mg-Sn systems, application of novel 3rd generation data in CALPHAD-type thermodynamic modellingRNDr. Aleš Kroupa, CSc.


Project numberNameInvestigator
8J19AT011 High entropy Half-Heusler thermoelectric materials with high efficiencyRNDr. Jiří Buršík, CSc., DSc.
18-25660J Complex theoretical and experimental phase diagram determinations of the advanced thermoelectric Ag-Pb-Sn-Te and Pb-Se-Sn-Te systemsRNDr. Aleš Kroupa, CSc.
17-21683S Kinetics of hydrogen storage in new complex hydrides of (Mg-Ni-M-S)-H type
17-15405S Advanced experimental and theoretical approaches to size-dependent phase diagrams of nanoalloysRNDr. Aleš Kroupa, CSc.
17-12844S Thermal and phase stability of advanced thermoelectric materialsRNDr. Jiří Buršík, CSc., DSc.
15-17875S Local microstructural changes induced by static and dynamic indentation in nanostructured and nanolaminate coatingsRNDr. Jiří Buršík, CSc., DSc.
7AMB15AT002 Spinodal Decomposition in Half-Heusler Alloys: A nanostructuring route towards high efficiency thermoelectric materialsRNDr. Jiří Buršík, CSc., DSc.
GA14-15576S Complex study of phase diagrams of advanced metallic materials, combining ab initio and semiempirical modelling with experimental methodsRNDr. Aleš Kroupa, CSc.
LD11024 Theoretical and experimental study of phase diagrams of nanoalloysRNDr. Aleš Kroupa, CSc.
P108/11/0148 Carbon diffusion in carbon-supersaturated ferrite and austenite steels
P108/11/2260 The link between microstructure and creep behaviour of precipitate strengthened alloys processed by ECAPRNDr. Milan Svoboda, CSc.
P108/10/1908 Thermodynamics of intermetallic phases using combined theoretical and experimental approachRNDr. Aleš Kroupa, CSc.
106/09/0814 Desorption kinetics of hydrogen in Mg2Ni-H intermetallic modified by chosen interstitials
202/09/1013 Nucleation and growth of oxygen precipitates in siliconRNDr. Jiří Buršík, CSc., DSc.
106/09/0700 Thermodynamics and microstructure of environmentally friendly nanoparticle soldersRNDr. Jiří Buršík, CSc., DSc.
106/08/1241 Diffusion of iron in advanced Fe-base bulk metallic glassesIng. Ivo Stloukal, Ph.D.
OC08053 Phase equilibria in Zn-Sn-X metallic systems for high-temperature lead-free soldersRNDr. Aleš Kroupa, CSc.
106/07/0010 Diffusion of hydrogen in alloys Mg-Ni modified by chosen elements that suppress the stability of hydrides
COST MP0602 HISOLD - Advanced Solder Materials for High Temperature ApplicationRNDr. Aleš Kroupa, CSc.
106/07/1259 Quasicrystalline phases in the Al-Pd-TM systemRNDr. Milan Svoboda, CSc.
106/07/1078 Theoretical and experimental investigations of thermodynamic properties in transition metal based intermetallic phasesRNDr. Aleš Kroupa, CSc.
KJB200410601 Silver-Indium-Tin Alloys as Possible Lead-free Soldering Materials: Interaction with Nickel and PalladiumIng. Adéla Zemanová, Ph.D.
2A-1TP1/067 Research into technologies for high potentional heat transfer from a nuclear source
106/05/2115 Diffusion of constituents in Mg-based advanced alloys and compositesIng. Ivo Stloukal, Ph.D.
202/05/0607 Synthesis of carbon micro- and nanostructures by plasma technologiesRNDr. Jiří Buršík, CSc., DSc.
NMP2-CT-2003- 505504 European Lead - Free Soldering NetworkRNDr. Aleš Kroupa, CSc.
106/04/0228 The role of Fe, Nb and Mo diffusivity in structure stability of FINEMET and NANOPERM – type alloys
106/03/1355 Transport processes during heat treatment in Mg – Al alloys
Z2041904-I003 Diffusion of gallium in polycrystalline magnesiumIng. Ivo Stloukal, Ph.D.
Z2041904-I004 Diffusion of 67Ga a 114mIn isotopes along grain boundaries in Ni3Al
COST OC 531.02 Lead Free Solder MaterialsRNDr. Aleš Kroupa, CSc.
106/01/0384 Diffusion properties of intermetallics with L12 structure: Ni3Ga as a model system
106/01/0379 Thermodynamics and diffusion of aluminium and carbon in steels
106/01/0382 Turn-back diffusion of interstitial elements in weld joints of steels
106/00/0173 Mutual diffusion of substitutional elements in modified Ni3Al intermetallics
106/99/1179 Hydrogen permeation in Ni3Al-based intermetallic alloys
OC P3.110 Simulation of diffusion along grain boundaries
106/98/1368 Diffusion treatment of layers prepared by plasma nitridation
106/98/1367 Phosphorus and carbon thermodynamics and diffusion in steels
106/96/0261 Grain boundary diffusion in Ni3Al intermetallic modified by iron, chromium and zirconium
IAA2041501 Grain boundary diffusion of nickel in boron - doped Ni3Al, NiAl and in Ni-Al(-B) solid solutions
106/95/1532 The influence of Cr, Ni and Si upon carbon redistribution in ferritic weld joints
106/94/0308 Simultaneous diffusion of nitrogen and carbon in weld joints of steels
106/93/0095 Diffusion of Mo, V and W along high-diffusivity paths in BCC Fe-Cr and Fe-Cr-C alloys and in 9%Cr steel P91
IA24104 The redistribution of carbon in wledments of ferritic steels


Differential Scanning Calorimeters, DSC 204 Phoenix and DSC 404 Pegasus by Netzsch

Contact person: RNDr. Aleš Kroupa, CSc.
The devices are used for the study of phase transformations in solids. DSC 204 is dedicated for low temperatures (-180 °C to 700 °C) and DCS 404 for high temperatures (to 1600 °C) range.

Setaram PCT PRO – E&E

Contact person:
It is a fully automated Sievert’s instrument for measurement of gas sorption properties of materials.

Diamond Saw LECO VC-50

Contact person:
The diamond saw is ideal for precise sectioning with minimal material deformation. It is suitable for sectioning of extremely hard materials - ceramics or metals.


Contact person: Ing. Lubomír Král, Ph.D.
The furnace MILA-5000 is characterized by extremely high rate of heating and rapid cooling of samples in vacuum, protective atmosphere or air.

Laboratory furnace LAC LT

Contact person: Ing. Lubomír Král, Ph.D.
The laboratory horizontal tube furnace with 40mm inside diameter of tube. It can be used up to temperature 1300°C.

Laboratory furnaces Classic

Contact person: Ing. Lubomír Král, Ph.D.
Four horizontal tube furnaces with 40mm inside diameter of tube. They can be used up to temperature 1550°C. The temperature of sample is measured by thermocouple located near the sample. The temperature is stabilized within ± 1°C.

Microtom Leica RM2255

Contact person: Ing. Lubomír Král, Ph.D.
The rotary automated microtome which allows precise sectioning of radioactive samples with accurate specimen settings enables to set an exact zero point and angle of cutting.

Furnace Balzers VSG 02

Contact person:
The vacuum induction furnace with maximum charge of about 0.3 kg. The melting experiments can be conducted under vacuum or in a protective atmosphere.

Furnace MAM-1

Contact person: Ing. Lubomír Král, Ph.D.
The furnace MAM-1 is an arc melter designed for melting samples of approximate weight of 5-20 g under protective atmosphere Ar. The batch is melted on water cooled copper plate and it is possible also suction casting. The maximum melting temperature is 3500°C.


Rogl G., Binder G., Michor H., Buršík J., Eiberger M., Grytsiv A., Giester G., Rogl P.: Tau-borides (Mnx{Ru,Os,Ir}1-x)23B6: X-ray single crystal and TEM data, physical properties. J. Alloys Comp. 993 (2024) 174604

Brož P., Yan X., Romaka V., Fabrichnaya O., Kriegel M., Buršíková V., Buršík J., Vřešťál J., Rogl G., Michor H., Bauer E., Eiberger M., Grytsiv A., Giester G., Rogl P.: Constitution, physical properties and thermodynamic modeling of the Hf-Mn system. J. Alloys Comp. 976 (2024) 173060

Failamani F., Grytsiv A., Buršík J., Giester G., Rogl P.: The Ce-Ni-Si system revisited: More homologue compounds?. Inorganic Chemistry 63 (2024) 8604-8614

Friák M., Čípek P., Pavlů J., Zobač O., Roupcová P., Miháliková I., Holec D., Msallamová Š., Michalcová A.: Structure-property relations in Pb-supersaturated metastable Sn-rich Pb-Sn alloys. Metall. Mater. Trans. A 55 (2024) 1867-1877

Friák M., Zobač O., Chlup Z., Fikar O., Papež P., Zelený M., Kroupa A.: Materials properties of defect-stabilized off-stoichiometric tau-phase Al2Ge2Mg. Intermetallics 169 (2024) 108294

Jirásková Y., Buršík J., Gembalová L., Čížek J., Pytlik J., Životský O.: Effect of Si and Al on structural and physical properties of ternary and quaternary Co2Fe-based Heusler alloys. Physica B 673 (2024) 415463

Brož P., Vřešťál J., Sopoušek J., Weiss K., Buršík J., Buršíková V., Záděra A., Müller P., Čupera J., Rogl G., Parzer M., Bauer E., Michor H., Rogl P.: High entropy alloys (FeCoNi)0.75Cr(0.25-x)Cux - thermal stability and physical properties. J. Alloys Comp. 993 (2024) 174628


Mrázek J., Kamrádková S., Buršík J., Skála R., Bartoň I., Vařák P., Baravets Y., Podrazký O.: Nanocrystalline (HoxY1-x)2Ti2O7 luminophores for short- and mid-infrared lasers. Journal of Sol-Gel Science and Technology 107 (2023) 320-328

Zobač O., Karpíšková L., Kroupa A.: Experimental study of the ternary phase diagram Al-Ge-Mg. J. Phase Equil. Diffus. 44 (2023) 127-136

Zobač O., Kroupa A.: CALPHAD-Based thermodynamic description of the binary phase diagram Ge-Ti. J. Phase Equil. Diffus. 44 (2023) 115-126

Zobač O., Žižka R., Roupcová P., Kroupa A.: Experimental study of the Ni-Se-Sn phase diagram isothermal sections at 800 K, 1000 K and 1100 K. J. Phase Equil. Diffus. 44 (2023) 594-605

Král L., Chesalkin A., Čermák J., Roupcová P., Prusov E.: Influence of Fe on the hydrogen storage properties of LaCeNi alloys. Langmuir 39 (2023) 6061-6068

Homolová V., Čiripová L., Zobač O., Zemanová A., Falat L.: Experimental investigation phase equilibria of the Ho-Ir-O ternary system at 1073 K. Materials 16 (2023) 5406

Životský O., Jirásková Y., Buršík J., Janickovic D., Čížek J.: Effect of rapid solidification in Mn2FeSi alloy formation and its physical properties. J. Magn. Magn. Mater. 580 (2023) 170914


Čermák J., Král L., Roupcová P.: Hydrogen storage in TiVCrMo and TiZrNbHf multiprinciple-element alloys and their catalytic effect upon hydrogen storage in Mg. Renewable Energy 188 (2022) 411-424

Jirásková Y., Buršík J., Životský O., Luňáček J., Alexa P., Uhlar R., Ederer J., Janoš P.: Nanostructured magnetite-ceria-based composite: synthesis, calcination, properties, and applications. J. Alloys Comp. 916 (2022) 165481

Pizúrová N., Hlaváček A., Kavčiaková Z., Roupcová P., Kuběna I., Buršík J., Sokovnin S.: Nanoceria prepared by electron beam evaporation. Nanocon 2022 Conference proceedings 2022 (2022) 33-38

Romaka V., Rogl G., Binder G., Michor H., Buršík J., Grytsiv A., Giester G., Rogl P.: Phase relations, structure, properties and DFT study of compounds in the Sc-rich part of the systems Sc-{Mn,Fe,Co,Ni}-Ga. J. Alloys Comp. 919 (2022) 165540

Buršík J., Charvátová Campbell A., Havlíček M., Klapetek P., Kelarová Š., Přibyl R., Václavik R., Stupavská M., Buršíková V.: Surface morphology of nanostructured plasma-polymer thin films deposited under dusty plasma conditions. J. Phys.: Conf. Series 2315 (2022) 012017

Chen S., Kroupa A., Du J., Zemanová A., Hutabalian Y., Vřešťál J., Chiu K.: Experimental and Theoretical Study of the Ag-Sn-Te Phase Diagram. J. Phase Equil. Diffus. 43 (2022) 139-163

Čermák J., Král L., Roupcová P.: A new light-element multi-principal-elements alloy AlMg2TiZn and its potential for hydrogen storage. Renewable Energy 198 (2022) 1186-1192

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

Zobač O., Richter K., Kroupa A.: Experimental Phase Diagram of the Ag-Se-Sn System at 250, 400 and 550 °C. J. Phase Equil. Diffus. 43 (2022) 32-42

Svoboda J., Drdlíková K., Drdlík D., Kroupa A., Michalička J., Maca K.: Doping of alumina ceramics by manganese Thermodynamical and experimental approach. Process. Appl. Ceram. 16 (2022) 13-21

Zobač O., Zemanová A., Chen S., Kroupa A.: CALPHAD-Type Assessment of the Pb-Se-Sn System. J. Phase Equil. Diffus. 43 (2022) 243-255

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

Jirásková Y., Zažímal F., Buršík J., Svoboda T., Dzik P., Homola T.: Structural and physical characterization of iron-oxide based inks for inkjet printing. J. Magn. Magn. Mater. 562 (2022) 169810

Romaka V., Rogl G., Buršíková V., Buršík J., Michor H., Grytsiv A., Bauer E., Giester G., Rogl P.: Physical properties of {Ti,Zr,Hf}2Ni2Sn compounds. Dalton Trans. 51 (2022) 361-374

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

Král P., Dvořák J., Sklenička V., Horita Z., Takizawa Y., Tang Y., Král L., Kvapilová M., Roupcová P., Horváth J.: Creep Resistance of S304H Austenitic Steel Processed by High-Pressure Sliding. Materials 15 (2022) 331

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