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, 408

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

Patents:


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

Researchers


NamePhone numbersRoomsE-mail
RNDr. Jiří Buršík, CSc., DSc. +420 532 290 473410 [javascript protected email address]
RNDr. Jiří Čermák, CSc., DSc. +420 532 290 422319 [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]
RNDr. Milan Svoboda, CSc. +420 532 290 474409 [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]

Technicians


NamePhone numbersRoomsE-mail
Václav Dania +420 532 290 425328 [javascript protected email address]
Jindřich Joukl +420 532 290 319140 [javascript protected email address]

Phd students


NamePhone numbersRoomsE-mail
Ing. Ondřej Fikar +420 532 290 401302 [javascript protected email address]

Diploma students


NamePhone numbersRoomsE-mail
Bc. Lenka Karpíšková +420 532 290 401302
David Nejezchleba +420 532 290 427326


Project numberNameInvestigator
8J19AT011 High entropy Half-Heusler thermoelectric materials with high efficiencyRNDr. Jiří Buršík, CSc., DSc.

ALL PROJECTS


Project numberNameInvestigator
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 typeRNDr. Jiří Čermák, CSc., DSc.
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 steelsRNDr. Jiří Čermák, CSc., DSc.
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 interstitialsRNDr. Jiří Čermák, CSc., DSc.
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 hydridesRNDr. Jiří Čermák, CSc., DSc.
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 sourceRNDr. Jiří Čermák, CSc., DSc.
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 alloysRNDr. Jiří Čermák, CSc., DSc.
106/03/1355 Transport processes during heat treatment in Mg – Al alloysRNDr. Jiří Čermák, CSc., DSc.
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 systemRNDr. Jiří Čermák, CSc., DSc.
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 intermetallicsRNDr. Jiří Čermák, CSc., DSc.
106/99/1179 Hydrogen permeation in Ni3Al-based intermetallic alloysRNDr. Jiří Čermák, CSc., DSc.
OC P3.110 Simulation of diffusion along grain boundariesRNDr. Jiří Čermák, CSc., DSc.
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 zirconiumRNDr. Jiří Čermák, CSc., DSc.
IAA2041501 Grain boundary diffusion of nickel in boron - doped Ni3Al, NiAl and in Ni-Al(-B) solid solutionsRNDr. Jiří Čermák, CSc., DSc.
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 P91RNDr. Jiří Čermák, CSc., DSc.
IA24104 The redistribution of carbon in wledments of ferritic steels

ALL PROJECTS

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: RNDr. Jiří Čermák, CSc., DSc.
It is a fully automated Sievert’s instrument for measurement of gas sorption properties of materials.

Diamond Saw LECO VC-50

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

IR FURNACE MILA-5000 ULVAC-RIKO, Inc.

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: RNDr. Jiří Čermák, CSc., DSc.
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.


2021

Zelenka F., Strádal J., Brož P., Vřešťál J., Buršík J., Zemanová A., Rogl G., Rogl P.: Study of thermal stability of n-type skutterudites Sr0.07Ba0.07Yb0.07Co4Sb12 by differential thermal analysis and Knudsen effusion method. CALPHAD 73 (2021) 102258

Čermák J., Král L., Roupcová P.: Hydrogen desorption from alloys MgeCu(eKCl): Cu catalysis in detail. Int. J. Hydrogen Energy 46 (2021) 14494-14507

Káňa T., Čermák J., Král L.: Substitution of nickel in Mg2Ni and its hydride with elements from groups XIII and XIV: An ab initio study. Int. J. Hydrogen Energy 46 (2021) 15691-15701

Bertolla L., Šulák I., Buršík J., Dlouhý I., Smilek J., Mácová P., Holas J.: Exfoliation of hexagonal boron nitride nanosheets in low-modulus concentrated alkali silicate pastes. Mater. Lett. 292 (2021) 129551

Životský O., Markov D., Hrabovská K., Buršík J., Jirásková Y.: Analysis of Magneto-Optical Hysteresis Loops of Amorphous and Surface-Crystalline Fe-Based Ribbons. Materials 14 (2021) 1-12

Rogl G., Renk O., Ghosh S., Mallik R., Grytsiv A., Buršík J., Schafler E., Tuomisto F., Bauer E., Rogl P.: Properties of HPT-Processed Large Bulks of p?Type Skutterudite DD0.7Fe3CoSb12 with ZT > 1.3. ACS Applied Energy Materials 4 (2021) 4831-4844

Životský O., Luňáček J., Jirásková Y., Buršík J., Ederer J., Janoš P., Cabanova K.: Influence of annealing temperature on degradation efficiency and iron oxide transformations in CeO2/Fe-oxide sorbents. AIP Adv. 11 (2021) 015308

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

Zelenka F., Brož P., Vřešťál J., Buršík J., Zemanová A., Rogl G., Rogl P.: Study of thermal stability of half-Heusler alloys TiFe1.33Sb and TixNb1-xFeSb (x = 0, 0.15) by differential thermal analysis and Knudsen effusion method. CALPHAD 74 (2021) 102292

Yan X., Brož P., Vřešťál J., Vlach J., Buršík J., Mazalová M., Pavlů J., Smetana B., Rogl G., Eiberger M., Grytsiv A., Michor H., Müller H., Giester G., Rogl P.: On the constitution and thermodynamic modeling of the phase diagrams Nb-Mn and Ta-Mn. J. Alloys Comp. 865 (2021) 158715



2020

Čermák J., Král L., Roupcová P.: Significantly decreased stability of MgH2 in the Mg-In-C alloy system: Long-period-stacking-ordering as a new way how to improve performance of hydrogen storage alloys?. Renewable Energy 150 (2020) 204-212

Čermák J., Král L., Roupcová P.: Significant decrease of hydride decomposition enthalpy in ordered Mg-In alloys induced by growing hydrogen concentration. Kovové materiály 58 (2020) 161-167

Jirásková Y., Buršík J., Ederer J., Janoš P., Jurica J., Luňáček J., Životský O.: Effect of magnetite transformations on degradation efficiency of cerium dioxide-magnetite composite. Journal of Materials Research and Technology 9 (2020) 4431-4439

Sopoušek J., Pinkas J., Buršík J., Svoboda M., Krásenský P.: Continuous Flow Synthesis of Iron Oxide Nanoparticles Using Water-in-Oil Microemulsion. Colloid Journal 82 (2020) 727-734

Rogl G., Soprunyuk V., Schranz W., Zehetbauer M., Buršík J., Müller H., Bauer E., Rogl P.: Resistivity and Thermal Expansion (4.2-820 K) of Skutterudites after Severe Plastic Deformation via HPT. Z. Anorg. Allg. Chem. 646 (2020) 1267-1272

Brož P., Zelenka F., Vřešťál J., Zemanová A., Kroupa A., Buršík J., Svoboda M., Šimoníková L., Pokorný T.: Experimental study and thermodynamic re-assessment of the Co-Sb system. CALPHAD 68 (2020) 101694

Rogl G., Ghosh S., Wang L., Buršík J., Grytsiv A., Kerber M., Bauer E., Mallik R., Chen X., Zehetbauer M., Rogl P.: Half-Heusler alloys: Enhancement of ZT after severe plastic deformation (ultra-low thermal conductivity). Acta Mater. 183 (2020) 285-300

Zobač O., Kroupa A.: The Thermodynamic Assessment of the Binary System Bi-Rh. J. Phase Equil. Diffus. 41 (2020) 900-906

Zobač O., Kroupa A., Richter K.: Experimental study of the Al-Cu-Zn ternary phase diagram. Mater. Sci. 55 (2020) 10796-10810

Chen S., Huang ., Hsu Y., Kroupa A.: Phase Diagram of the Pb-Se-Sn System. J. Electronic Mater. 49 (2020) 4714-4729

Dinsdale A., Zobač O., Kroupa A., Khvan A.: Use of third generation data for the elements to model the thermodynamics of binary alloy systems: Part 1 - The critical assessment of data for the Al-Zn system. CALPHAD 68 (2020) 101723

Zobač O., Kroupa A., Richter K.: Experimental isothermal sections of the ternary phase diagram Al-Cu-Si at 600 °C and 800 °C. J. Mater. Sci. 55 (2020) 15322-15333

Du J., Zemanová A., Hutabalian Y., Kroupa A., Chen S.: Phase diagram of Ag-Pb-Sn system. CALPHAD 71 (2020) 101997

Vykoukal V., Zelenka F., Buršík J., Káňa T., Kroupa A., Pinkas J.: Thermal properties of Ag@Ni core-shell nanoparticles. CALPHAD 69 (2020) 101741

Sklenička V., Kuchařová K., Svoboda M., Král P., Kvapilová M., Dvořák J.: The Creep Resistance of Short-Fibre Reinforced Metal Matrix Composites. Structural. Integr. 16 (2020) 93-99



2019

Životský O., Buršík J., Janičkovič D., Titov A., Jirásková Y.: Low-temperature magnetic transitions in Fe2MnSi Heusler alloys prepared in bulk and ribbon form. J. Magn. Magn. Mater. 475 (2019) 5-9

Jedličková V., Zemanová A., Kroupa A.: The Thermodynamic Assessment of the Co-Sn System. J. Phase Equil. Diffus. 40 (2019) 21-33

Zábranský L., Souček P., Vašina P., Dugáček J., Sťahel P., Buršík J., Svoboda M., Mikšová R., Peřina V., Balázsi K., Cigány Z., Buršíková V.: Microstructural changes of amorphous Mo-B-C coatings upon thermal annealing. Surf. Coat. Technol. 379 (2019) 125052

Vykoukal V., Buršík J., Roupcová P., Cullen D., Pinkas J.: Solvothermal hot injection synthesis of core-shell AgNi nanoparticles. J. Alloys Comp. 770 (2019) 377-385

Zobač O., Kroupa A., Zemanová A., Richter K.: Experimental Description of the Al-Cu Binary Phase Diagram. Metall. Mater. Trans. A 50 (2019) 3805-3815

Jirásková Y., Buršík J., Janičkovič D., Životský O.: Influence of Preparation Technology on Microstructural and Magnetic Properties of Fe2MnSi and Fe2MnAl Heusler Alloys. Materials 12 (2019) 1-14

Pinkas J., Sopoušek J., Brož P., Vykoukal V., Buršík J., Vřešťál J.: Synthesis, structure, stability and phase diagrams of selected bimetallic silver- and nickel-based nanoparticles. CALPHAD 64 (2019) 139-148

Sklenička V., Kuchařová K., Svoboda M., Kvapilová M., Král P., Dvořák J.: Creep behaviour of IN 740 alloy after HAZ thermal cycle simulations. Int. J. Pres. Ves. Pip. 178 (2019) 104000

Kroupa A., Vykoukal V., Káňa T., Zemanová A., Pinkas J., Šob M.: The theoretical and experimental study of the Sb-Sn nano-alloys. CALPHAD 64 (2019) 90-96

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

Čermák J., Král L., Roupcová P.: Improved hydrogen sorption kinetics in Mg modified by chosen catalysts. Int. J. Hydrogen Energy 44 (2019) 8315-8324

Brož P., Hejduková M., Vykoukal V., Zelenka F., Sopoušek J., Buršík J., Zobač O.: Study of surface effects and catalytic properties of selected Ni-based bimetallic nanoparticles by Knudsen effusion mass spectrometry. CALPHAD 64 (2019) 334-341

Jirásková Y., Buršík J., Janoš P., Luňáček J., Chrobak A., Životský O.: Effect of Iron Impurities on Magnetic Properties of Nanosized CeO2 and Ce-Based Compounds. Metals 9 (2019) 222

Weiser A., Buršíková V., Jarý M., Dymáček P., Dugáček J., Frenzel J., Čermák J., Dlouhý A.: Strength of hydrogen-free and hydrogen-doped Ni50Ti50 shape memory platelets . Scr. Mater. 162 (2019) 151-155

Mrázek J., Vytykáčová S., Buršík J., Puchý V., Girman V., Peterka P., Kašík I.: Sol-gel route to nanocrystalline Eu2Ti2O7 films with tailored structural and optical properties. J. Amer. Ceram. Soc. 102 (2019) 6713-6723

Káňa T., Zouhar M., Černý M., Šob M.: Ab initio study of the theoretical strength and magnetism of the Fe-Pd, Fe-Pt and Fe-Cu nanocomposites. J. Magn. Magn. Mater. 469 (2019) 100-107

Brož P., Zelenka F., Kohoutek Z., Vřešťál J., Vykoukal V., Buršík J., Zemanová A., Rogl G., Rogl P.: Study of thermal stability of CoSb3 skutterudite by Knudsen effusion mass spectrometry. CALPHAD 65 (2019) 1-7

Král L., Čermák J.: Improvement of hydrogen storage properties of Mg by catalytic effect of Al-containing phases in Mg-Al-Ti-Zr-C powders. Int. J. Hydrogen Energy 44 (2019) 13561-13568

Buršík J., Buršíková V., Rogl G., Rogl P.: Local mechanical properties of advanced skutterudites processed by various routes. IOP Conf. Ser.: Mater. Sci. Eng. 613 (2019) 012036

Vykoukal V., Halasta V., Babiak M., Buršík J., Pinkas J.: Morphology Control in AgCu Nanoalloy Synthesis by Molecular Cu(I) Precursors. Inorganic Chemistry 58 (2019) 15246-15254

Kroupa A., Watson A.: In Celebration of Prof. Jan Vřešťál's 80th Birthday. J. Phase Equil. Diffus. 40 (2019) 1-2

Zelenka F., Brož P., Vřešťál J., Buršík J., Rogl G., Grytsiv A., Rogl P.: Study of thermal stability of p-type skutterudites DD0.7Fe3CoSb12 by Knudsen effusion mass spectrometry. RSC Advances 9 (2019) 21451-21459

Kroupa A., Pavlů J., Šob M.: Professor Jan Vřešťál and His Contributions Towards the Implementing of Ab Initio Data into the CALPHAD Method and Extension of the Phase Diagram Calculations Down to 0 K. J. Phase Equil. Diffus. 40 (2019) 3-9


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