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MINOR PHASES IN TIN-RICH HISTORICAL MATERIALS
Michalcová, A.; Msallamová, Š.; Fink, D.; Friák, Martin
2024 - anglický
The historical organ pipes used to be manufactured from tin and tin-lead alloys. The tin-rich organ pipes usually contained copper as alloying elements, which make them similar to modern lead free soldering materials. The historical organ pipe materials can be used as model materials for natural ageing of soldering materials. Tin pest is a term for modification from white tin to grey tin, which leads to degradation of tin or tin-rich alloys. The influence of individual alloying elements has not been reliably described, yet. Not only on the concentration of the alloying element, but also the distribution may play the important role. In dependence on heat-treatment, the Cu can be in the Sn matrix present in these forms: i) as large intermetallic particles after casting (Cu6Sn5), ii) as solid solution after homogenization annealing and iii) as fine precipitates after ageing. The microstructure of the real historical organ-pipes material was studied and it was proven that contradictionary to the equilibrium phase diagram the Cu enriched was observed.
Klíčová slova:
Metallurgy; tin; copper; tin pest; tem
Plné texty jsou dostupné na jednotlivých ústavech Akademie věd ČR.
MINOR PHASES IN TIN-RICH HISTORICAL MATERIALS
The historical organ pipes used to be manufactured from tin and tin-lead alloys. The tin-rich organ pipes usually contained copper as alloying elements, which make them similar to modern lead free ...
QUANTUM-MECHANICAL STUDY OF INTERNAL STRUCTURAL TRANSFORMATIONS IN Pb-SUPERSATURATED Pb-Sn ALLOYS
Friák, Martin; Čípek, Petr; Pavlů, J.; Roupcová, Pavla; Miháliková, Ivana; Msallamová, Š.; Michalcová, A.
2024 - anglický
Motivated by a decades-long controversy related to the crystal structure of Pb-supersaturated solid solutions of Pb in Sn, we have performed a quantum-mechanical study of these materials. Focusing on both body-centred-tetragonal beta-Sn and simple-hexagonal gamma-Sn structures, we have computed properties of two alloys with the chemical composition Pb5Sn11, i.e. 31.25 at. % Pb, which is close to the composition of the experimentally found alloy (30 at. % Pb). The 16-atom computational supercells were designed as multiples of the elemental beta- and gamma-Sn unit cells, where the Pb atoms were distributed according to the special quasi-random structure (SQS) concept. Full structural relaxations of both beta- and gamma-phase-based alloys resulted in very significant re-arrangements into structures which do not exhibit any apparent structural features typical for the original alloys, and are, therefore, difficult to classify. The formation energies of the beta- and gamma-phase-originating equilibrium phases are 50 meV/atom and 53 meV/atom, respectively. Therefore, they are not stable with respect to the decomposition into the elemental lead and tin. Moreover, our calculations of elastic constants of both phases revealed that they are close to mechanical instability. Our results indicate that the studied Pb-supersaturated Pb-Sn solid solutions may be prone to structural instability, transformations into different phases and decomposition. Our findings may contribute into the identification of the reason why the subsequent experimental studies did not reproduce the initial published data.
Klíčová slova:
tin; crystal; Pb-Sn alloys; stability; supersaturation; quantum-mechanical calculations
Plné texty jsou dostupné na jednotlivých ústavech Akademie věd ČR.
QUANTUM-MECHANICAL STUDY OF INTERNAL STRUCTURAL TRANSFORMATIONS IN Pb-SUPERSATURATED Pb-Sn ALLOYS
Motivated by a decades-long controversy related to the crystal structure of Pb-supersaturated solid solutions of Pb in Sn, we have performed a quantum-mechanical study of these materials. Focusing on ...
EFFECT OF STEEL COMPOSITION ON ITS BEHAVIOUR IN THE LIQUID LEAD ENVIRONMENT
Pazderova, M.; Hojná, A.; Vít, J.; Hadraba, Hynek; Čižek, J.
2024 - anglický
Ferritic-martensitic Eurofer-97 and oxide dispersion strengthened (ODS) Eurofer steels are potential candidates for structural applications in advanced nuclear reactors. Influence of scandium, yttrium, and aluminum addition was studied at 600 degrees C using 10-6 wt.% oxygen concentration. Microstructure and corrosion behaviour was evaluated after 500 h and 1000 h of exposure to liquid lead. Microscopical investigation identified oxidation, solution- based attack, and Pb penetration into the material. Addition of scandium and aluminum changed the mechanism of corrosion attack. Eurofer-97 was partially protected by outer oxide and inner oxidation and Pb penetration was found. In contrast ODS-Eurofer steels after 1000 h of exposure showed mainly inner oxidation and SBA including Pb penetration into the steel. The inner oxidation consisted of Pb+Cr-O and Cr-O+Al-O layers mixture. Degradation of ODS steel was significantly lower than Eurofer-97. It seems that the inner oxidation layer beneath the surface did not prevent the Pb penetration but protected the surface from dissolution.
Klíčová slova:
corrosion behavior; flowing lead; ods steels; pb; Ferritic-martensitic steel; ods; liquid Pb; oxidation; nuclear application
Plné texty jsou dostupné na jednotlivých ústavech Akademie věd ČR.
EFFECT OF STEEL COMPOSITION ON ITS BEHAVIOUR IN THE LIQUID LEAD ENVIRONMENT
Ferritic-martensitic Eurofer-97 and oxide dispersion strengthened (ODS) Eurofer steels are potential candidates for structural applications in advanced nuclear reactors. Influence of scandium, ...
QUANTUM-COMPUTING STUDY OF THE ELECTRONIC STRUCTURE OF CRYSTALS: THE CASE STUDY OF SI
Ďuriška, Michal; Miháliková, Ivana; Friák, Martin
2024 - anglický
Quantum computing is newly emerging information-processing technology which is foreseen to be exponentially faster than classical supercomputers. Current quantum processors are nevertheless very limited in their availability and performance and many important software tools for them do not exist yet. Therefore, various systems are studied by simulating the run of quantum computers. Building upon our previous experience with quantum computing of small molecular systems (see I. Mihalikova et al., Molecules 27 (2022) 597, and I. Mihalikova et al., Nanomaterials 2022, 12, 243), we have recently focused on computing electronic structure of periodic crystalline materials. Being inspired by the work of Cerasoli et al. (Phys. Chem. Chem. Phys., 2020, 22, 21816), we have used hybrid variational quantum eigensolver (VQE) algorithm, which combined classical and quantum information processing. Employing tight-binding type of crystal description, we present our results for crystalline diamond-structure silicon. In particular, we focus on the states along the lowest occupied band within the electronic structure of Si and compare the results with values obtained by classical means. While we demonstrate an excellence agreement between classical and quantum-computed results in most of our calculations, we further critically check the sensitivity of our results with respect to computational set-up in our quantum-computing study. A few results were obtained also using quantum processors provided by the IBM.
Klíčová slova:
computation; Quantum computing; crystals; tight-binding method; quantum-mechanical calculations
Plné texty jsou dostupné na jednotlivých ústavech Akademie věd ČR.
QUANTUM-COMPUTING STUDY OF THE ELECTRONIC STRUCTURE OF CRYSTALS: THE CASE STUDY OF SI
Quantum computing is newly emerging information-processing technology which is foreseen to be exponentially faster than classical supercomputers. Current quantum processors are nevertheless very ...
PROPERTIES OF NANOCRYSTALLINE FE-NI PARTICLES PREPARED BY THERMAL REDUCTION OF OXALATE PRECURSORS
Švábenská, Eva; Roupcová, Pavla; Havlíček, Lubomír; Schneeweiss, Oldřich
2024 - anglický
Recent technological advancements require development of cost-effective and high-performance magnets \nwhich ideally do not contain rare earth metals or noble metals. The promising candidates are Fe-Ni-based \nalloys, in particular, the Fe50Ni50 L10 phase (tetrataenite), which has a great perspective for producing hard \nmagnetic materials. Our study explores a promising method for preparing nanoparticles of Fe-Ni alloy from an \niron-nickel oxalate precursor. The coprecipitation method was employed to prepare oxalate precursors, \nfollowed by controlled thermal decomposition in a reducing hydrogen atmosphere. The morphology and \nproperties of the resulting particles were analysed using scanning electron microscopy (SEM) coupled with \nenergy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), Mössbauer spectroscopy (MS), and \nmagnetic measurements.\nThe SEM analysis revealed that the particles have approximately cube-shaped unit cell morphology with a\nsize in a range of 1 - 2 μm. Upon annealing, the samples contain multiple phases with varying Fe-Ni content.\nMagnetic measurements confirmed the formation of magnetically suitable Fe-Ni phases in the samples after \nannealing. Mössbauer spectroscopy emerged as a highly effective method for characterizing individual phases \nof the Fe-Ni system.
Klíčová slova:
Magnetic materials; thermal decomposition; Mössbauer spectroscopy
Plné texty jsou dostupné na jednotlivých ústavech Akademie věd ČR.
PROPERTIES OF NANOCRYSTALLINE FE-NI PARTICLES PREPARED BY THERMAL REDUCTION OF OXALATE PRECURSORS
Recent technological advancements require development of cost-effective and high-performance magnets \nwhich ideally do not contain rare earth metals or noble metals. The promising candidates are ...
EFFECT OF OXIDE DISPERSION ON ELECTRIC CONDUCTIVITY OF ROTARY SWAGED POWDER-BASED COPPER COMPOSITES
Kunčická, Lenka; Benč, Marek; Kačor, P.; Marek, M.
2024 - anglický
Copper is a very popular electro-conductive material, however, the mechanical properties of pure Cu are low. They can be typically improved by (micro)alloying, or via structure modifications introduced by optimized deformation and thermomechanical treatments. Designing a Cu-based composite, possibly strengthened by a dispersion of fine oxides, is another way how to favourably improve the strength properties of Cu. In this study, we performed mechanical alloying of a Cu powder with a powder of Al2O3 oxide, which is known to have strengthening effects on metallic materials. After mixing, we sealed the powder mixture into evacuated tubular Cu containers (i.e. cans). As for the consolidation procedure, we applied direct consolidation of the canned powders via the intensive plastic deformation method of rotary swaging, performed under warm conditions. Subsequently, we subjected the swaged conductors to measurements of electric conductivity and detailed structure observations. The results revealed that the applied swaging ratio was sufficient to fully consolidate the canned powders as the final conductor was unrecognizable from a cast alloy from the viewpoints of visual and structure assessment. In other words, the structure did not exhibit any voids or remnants of unconsolidated powder particles. The observed fine grains with homogeneous dispersion of Al2O3 oxide particles provided improvement of the mechanical properties, as proven by microhardness measurements. Moreover, the electric properties remained favourable.
Klíčová slova:
mechanical-properties; extrusion; Copper; oxide dispersion; electric conductivity; rotary swaging; microstructure
Plné texty jsou dostupné na jednotlivých ústavech Akademie věd ČR.
EFFECT OF OXIDE DISPERSION ON ELECTRIC CONDUCTIVITY OF ROTARY SWAGED POWDER-BASED COPPER COMPOSITES
Copper is a very popular electro-conductive material, however, the mechanical properties of pure Cu are low. They can be typically improved by (micro)alloying, or via structure modifications ...
ENHANCING WELD JOINT INTEGRITY IN S460 HIGH-STRENGTH STEEL PLATES: AN EXPERIMENTAL APPROACH
Al Khazali, Mohammad Sami; Malíková, Lucie; Křivý, V.; Seitl, Stanislav
2024 - anglický
Exploring S460 steel, this research assesses weld toe microstructure and fatigue. It finds that welding affects \nhardness of welded area and fatigue life. These insights are crucial for structural engineering, optimizing welding \npractices for longevity. \nTests confirm increased weld toe hardness correlates with fatigue resistance. This informs design strategies, \nensuring bridge safety under cyclic loads. The study advances understanding of HSS behaviour, influencing future \nwelding techniques.
Klíčová slova:
High-strength steel; weld's toe; cruciform joints; S460; fatigue behaviour
Plné texty jsou dostupné na jednotlivých ústavech Akademie věd ČR.
ENHANCING WELD JOINT INTEGRITY IN S460 HIGH-STRENGTH STEEL PLATES: AN EXPERIMENTAL APPROACH
Exploring S460 steel, this research assesses weld toe microstructure and fatigue. It finds that welding affects \nhardness of welded area and fatigue life. These insights are crucial for structural ...
NANOCERIA PREPARED BY ELECTRON BEAM EVAPORATION
Pizúrová, Naděžda; Hlaváček, Antonín; Kavčiaková, Zuzana; Roupcová, Pavla; Kuběna, Ivo; Buršík, Jiří; Sokovnin, S. Y.
2023 - anglický
Cerium oxide nanoparticles (nanoceria) are currently one of the most investigated nanomaterials because of their attractive properties used in biomedical applications, catalysis, fuel cells, and many others. These attractive properties are connected with the Ce3+ and Ce4+ valency state ratio. In the nanoparticle form, cerium oxides contain a mixture of Ce3+ and Ce4+ on the nanoparticle surfaces. Switching between these two states requires oxygen vacancies. Therefore, nanoceria's inherent ability to act as an antioxidant in an environmentally-dependent manner and a “redox switch” to confer auto-regenerating capabilities by automatically shifting between Ce4+ and Ce3+ oxidation states is significantly affected by surface morphology. Regarding this demanded behavior, we aimed to characterize synthesized nanoparticle surface quality and its influence on the cerium oxidation states. The received results were used to evaluate the synthesis method's suitability for suggested utilization. We used nanoparticles prepared by electron beam evaporation. This unique physical method includes nanoparticle creation through the fast cooling process followed by breaking radiation damaging nanoparticle surfaces to create surface off-stoichiometry. We prepared a sample containing clusters of a mixture of ultra-small nanoparticles and approximately 100 nm particles. X-ray diffraction confirmed the CeO2 phase in both components. To extract the finest component, we used centrifugal size fractionation. We received 200 nm clusters of 2-10 nm nanoparticles. Nanoparticle shapes and facet types were analyzed using transmission electron microscopy methods. We found out most nanoparticles were formed with truncated octahedrons containing {1,1,1} and {1,0,0} facet types and truncated cuboctahedrons containing {1,1,1}, {1,0,0}, and additional {1,1,0} facets. No octahedron (without truncation) containing only {1,1,1} facets was observed. Nanoparticle shapes containing {1,1,0} and {1,0,0} are suitable for redox activity. Some amount of irregular shapes, beneficial for redox activity, was also observed. Spectroscopy methods confirmed Ce3+ content.
Klíčová slova:
Ce3+ and Ce4+; electron beam evaporation; facet types; hrtem; Nanoceria
Plné texty jsou dostupné na jednotlivých ústavech Akademie věd ČR.
NANOCERIA PREPARED BY ELECTRON BEAM EVAPORATION
Cerium oxide nanoparticles (nanoceria) are currently one of the most investigated nanomaterials because of their attractive properties used in biomedical applications, catalysis, fuel cells, and many ...
Stanovení vlivu geometrie vzorku na rozvoj creepové deformace pomocí metody akustické emise
Dvořák, Jiří; Sklenička, Václav; Král, Petr; Kvapilová, Marie; Svobodová, M.; Šifner, J.; Koula, V.
2023 - český
Tato práce se zabývá stanovením vlivu geometrie tělesa na vývoj porušení v průběhu creepové expozice. Creepové testy byly provedeny při teplotě 600 °C a napětí 180 MPa v režimu ochranné atmosféry argonu. Pro zkušební testy byl zvoleny vzorky z oceli P92 s konvekčním hladkým povrchem a vzorky opatřené V-vrubem. Výsledky creepové odolnosti a lomového chování byly doplněny podrobnou mikrostrukturní charakterizací k posouzení iniciace a vývoje creepového poškození. Na základě naměřených výsledků byla creepová data vyhodnocena pomocí neuronových sítí, které systematicky vyhledávají a zpracovávají signál z akustické emise (AE). Akustická emise byla použita jako účinná nedestruktivní metoda pro včasnou predikci počátku možné havárie komponent energetických a chemických zařízení. This work deals with the determination of the influence of the sample geometry on the development of failure during creep exposure. Creep tests were carried out at temperature of 600 °C and a stress of 180 MPa in the protective atmosphere of argon. P92 steel samples with a conventional smooth surface and samples with a V-groove notch were chosen for the test tests. The results of creep resistance and fracture behaviour were complemented by detailed microstructural characterization to assess damage initiation and development. Based on the measured results, the creep data was evaluated using neural networks that systematically search for and process the signal from the acoustic emission (AE). Acoustic emission serves here as an effective non-destructive method for early prediction of the beginning of a possible accident of components of power and chemical plants.
Klíčová slova:
creep specimen; creep deformation; acoustic emission
Plné texty jsou dostupné na jednotlivých ústavech Akademie věd ČR.
Stanovení vlivu geometrie vzorku na rozvoj creepové deformace pomocí metody akustické emise
Tato práce se zabývá stanovením vlivu geometrie tělesa na vývoj porušení v průběhu creepové expozice. Creepové testy byly provedeny při teplotě 600 °C a napětí 180 MPa v režimu ochranné atmosféry ...
Nanoparticels from brake pads wear
Švábenská, Eva; Roupcová, Pavla; Friák, Martin; Schneeweiss, Oldřich
2023 - anglický
Exposure to particulate air pollution has been associated with a variety of health problems. One of the main\nsources of metal-rich airborne particulate pollution in roadside environments are brake-wear emissions. The \nscanning electron microscopy (SEM) and transmission electron microscopy (TEM), Mössbauer spectroscopy \n(MS), X-ray powder diffraction (XRD) was used to a make quantitative evaluation of wear particles in two \nsamples. Sizes, morphologies, oxidation state, and trace element compositions of wear particles were\ninvestigated using combination of several methods revealed high concentrations of Fe species and phases, \noften associated with carbonaceous material. SEM and TEM observations show that brake wear particles with \na size of tens to hundreds of nm mainly form particle agglomerates. However, ultrafine (<100 nm) particles are \nlikely to pose a health threat after inhalation and/or ingestion.
Klíčová slova:
Wear particles; analysis; TEM; iron oxides; metallic particles
Plné texty jsou dostupné na jednotlivých ústavech Akademie věd ČR.
Nanoparticels from brake pads wear
Exposure to particulate air pollution has been associated with a variety of health problems. One of the main\nsources of metal-rich airborne particulate pollution in roadside environments are ...
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