František Martin Pelcel jako etymolog: výklady českých názvů měsíců v Pelcelově mluvnici
Vykypělová, Taťána
2024 - Czech Keywords: etymology Available at various institutes of the ASCR František Martin Pelcel jako etymolog: výklady českých názvů měsíců v Pelcelově mluvnici

Vykypělová, Taťána
Ústav pro jazyk český, 2024

EFFECT OF STEEL COMPOSITION ON ITS BEHAVIOUR IN THE LIQUID LEAD ENVIRONMENT
Pazderova, M.; Hojná, A.; Vít, J.; Hadraba, Hynek; Čižek, J.
2024 - English 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. Keywords: corrosion behavior; flowing lead; ods steels; pb; Ferritic-martensitic steel; ods; liquid Pb; oxidation; nuclear application Available at various institutes of the ASCR 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, ...

Pazderova, M.; Hojná, A.; Vít, J.; Hadraba, Hynek; Čižek, J.
Ústav fyziky materiálů, 2024

QUANTUM-COMPUTING STUDY OF THE ELECTRONIC STRUCTURE OF CRYSTALS: THE CASE STUDY OF SI
Ďuriška, Michal; Miháliková, Ivana; Friák, Martin
2024 - English 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. Keywords: computation; Quantum computing; crystals; tight-binding method; quantum-mechanical calculations Available at various institutes of the ASCR 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 ...

Ďuriška, Michal; Miháliková, Ivana; Friák, Martin
Ústav fyziky materiálů, 2024

Geologická a geotechnická charakterizace horninového prostředí – PVP Bukov II – třetí průběžná zpráva
Soejono, I.; Bukovská, Z.; Rukavičková, L.; Švagera, O.; Chabr, T.; Souček, Kamil; Vavro, Martin; Morávek, R.; Levý, O.; Sosna, K.; Kryl, J.; Řihošek, J.; Zelinková, T.; Dobeš, P.; Hanák, J.; Čermák, F.; Kašpar, R.; Mareček, L.; Nedvěd, J.; Vavro, Leona; Myška, O.; Janeček, Ivan
2024 - Czech Tato zpráva popisuje práce zhotovené v třetím roce řešení veřejné zakázky Geologická a geotechnická charakterizace horninového prostředí – PVP Bukov II. Charakterizační a popisné práce přímo navazují na ražbu prostor pro budoucí podzemní laboratoř a zahrnují zejména: geologické a geotechnické dokumentace čeleb a stěn díla, petrografickou, mineralogickou a strukturně geologickou dokumentaci, hydrogeologickou charakterizaci prostředí, dále stanovení fyzikálně-mechanických vlastností horninového masivu in situ a v laboratoři, geofyzikální charakterizaci, monitoring seismických účinků trhacích prací a charakterizaci EDZ. Zpráva také obsahuje nově navržený klasifikační systém horninových bloků a výsledky jeho testování na prostředí PVP Bukov II. Zpráva je doplněna stručným přehledem prací plánovaných pro následující rok řešení projektu. This report describes the work carried out in the third year of the public contract Geological and geotechnical characterisation of the rock environment – the Bukov URF II. The characterisation and descriptive works are directly related to the excavation of the premises for the future underground laboratory. These include in particular: geological and geotechnical documentation of the faces and walls of the workings, petrographic, mineralogical and structural geological documentation, hydrogeological characterisation of the environment, as well as determination of the physical and mechanical properties of the rock-mass in situ and in the laboratory, geophysical characterisation and monitoring of the seismic effects of blasting. The report also includes the newly developed rock mass\nclassification system and the results of its testing on the Bukov URF II site. The report includes also brief overview of the work planned for the following year of the project. Keywords: Bukov URF; geological documentation; 3D model; petrography; geochemistry; petrophysical data; natural radioactivity; physico-mechanical and geotechnical properties; seismic tomography; excavation induced vibration measurement; rock mass classification system Available on request at various institutes of the ASCR Geologická a geotechnická charakterizace horninového prostředí – PVP Bukov II – třetí průběžná zpráva

Tato zpráva popisuje práce zhotovené v třetím roce řešení veřejné zakázky Geologická a geotechnická charakterizace horninového prostředí – PVP Bukov II. Charakterizační a popisné práce přímo navazují ...

Soejono, I.; Bukovská, Z.; Rukavičková, L.; Švagera, O.; Chabr, T.; Souček, Kamil; Vavro, Martin; Morávek, R.; Levý, O.; Sosna, K.; Kryl, J.; Řihošek, J.; Zelinková, T.; Dobeš, P.; Hanák, J.; Čermák, F.; Kašpar, R.; Mareček, L.; Nedvěd, J.; Vavro, Leona; Myška, O.; Janeček, Ivan
Ústav geoniky, 2024

Stanovení in-situ napjatosti v PVP Bukov II – rešerše metod měření napjatosti a studie jejich využití v procesu výstavby a provozu hlubinného úložiště
Vavro, Martin; Waclawik, Petr; Souček, Kamil; Staš, Lubomír; Koníček, Petr; Jiránková, Eva; Schuchová, Kristýna; Kukutsch, Radovan; Kajzar, Vlastimil
2024 - Czech Rešerše prezentuje hlavní metody měření a jim odpovídající technickou instrumentaci, které byly v minulosti použity pro stanovení napětí horninového masivu, a to jak v podmínkách PVP Bukov I, respektive dolu Rožná, tak zejména v prostředí vybraných zahraničních podzemních výzkumných laboratoří. Shrnuty jsou rovněž stěžejní výsledky, které byly při těchto měřeních získány. Zjištěné poznatky jsou pak reflektovány v návrhu způsobu měření a monitoringu napětí v různých fázích procesu přípravy a provozu hlubinného úložiště (HÚ) v ČR. Z provedené rešerše stěžejních publikovaných studií a výsledků in situ experimentů vyplývá, že celosvětově nejčastěji používanými způsoby napěťových měření jsou zejména hydraulické štěpení stěn vrtů (hydrofracturing) a metoda odlehčeného vrtného jádra (overcoring). Tyto dvě metody byly rovněž navrženy jako nejvhodnější pro fázi výběru finální lokality HÚ v ČR. Ve fázi budování HÚ bylo doporučeno jejich rozšíření o metodu inverzní analýzy konvergenčních měření. Pro účely měření změn napětí ve stádiu přípravy a provozu HÚ byl jako nejvhodnější doporučen monitoring pomocí tenzometrických CCBM sond. The presented search summarizes main measurement methods and their corresponding technical instrumentation, which were used in the past to determine the stress state of the rock\nmass, both in the conditions of Bukov URF I or the Rožná mine respectively, and especially in the environment of selected foreign underground research laboratories. The key results obtained during these stress measurements are also compiled. The findings are then reflected in the proposed method of rock mass stress measurement and monitoring in various stages of the process of preparing and operating a deep geological repository (DGR) in the Czech Republic. From the conducted search of the crucial published studies and the results of in situ experiments, it follows that the most commonly used methods of stress measurement worldwide are mainly hydraulic fracturing of borehole walls (hydrofracturing) and the overcoring method. These two methods were also proposed as the most suitable for the stage of selecting the final site of the DGR in the Czech Republic. In the phase of construction the DGR, it was recommended to extend them by the method of inverse analysis of convergence measurements. For the purposes of measuring stress changes during the construction and operation of the DGR, monitoring using conical tensometric CCBM probes was recommended as the most suitable. Keywords: high level radioactive waste; geological disposal; deep repository; long-term stability of the repository; Bukov URF; rock mass stress; hydrofracturing; overcoring method; tensometric conical probes; acoustic logging; optical logging; long-term stress monitoring; convergence measurement; numerical modelling Available on request at various institutes of the ASCR Stanovení in-situ napjatosti v PVP Bukov II – rešerše metod měření napjatosti a studie jejich využití v procesu výstavby a provozu hlubinného úložiště

Rešerše prezentuje hlavní metody měření a jim odpovídající technickou instrumentaci, které byly v minulosti použity pro stanovení napětí horninového masivu, a to jak v podmínkách PVP Bukov I, ...

Vavro, Martin; Waclawik, Petr; Souček, Kamil; Staš, Lubomír; Koníček, Petr; Jiránková, Eva; Schuchová, Kristýna; Kukutsch, Radovan; Kajzar, Vlastimil
Ústav geoniky, 2024

Electrochemical Properties of Pretomanid. New drug for Tuberculosis Treatment
Deri, M.; Vespi, M.; Giannarelli, S.; Hromadová, Magdaléna
2024 - English The electrochemical behavior of Pretomanid (PA 824) has been investigated in acetonitrile by cyclic voltammetry at different scan rates and compared to dimetridazole reduction in order to elucidate its redox mechanism. Both compounds show similar reduction behavior in the aprotic solvent that involves one electron transfer to the nitro group. The reduction of Pretomanid is more difficult and the stability of its nitro anion radical is much lower compared to the dimetridazole molecule. Keywords: pretomanid; dimetridazole; cyclic voltammetry; reduction mechanism Available on request at various institutes of the ASCR Electrochemical Properties of Pretomanid. New drug for Tuberculosis Treatment

The electrochemical behavior of Pretomanid (PA 824) has been investigated in acetonitrile by cyclic voltammetry at different scan rates and compared to dimetridazole reduction in order to elucidate ...

Deri, M.; Vespi, M.; Giannarelli, S.; Hromadová, Magdaléna
Ústav fyzikální chemie J. Heyrovského, 2024

Redox Properties of Pyrene-Cyclohexene Conjugates – Electrochemical Study
Koláčná, Lucie; Čubiňák, M.; Tobrman, T.; Ludvík, Jiří
2024 - English The series of 16 compounds for "organic electronics" comprising the double-bond cyclohexene core extended by pyrene and/or other aromatics were electrochemically characterized by rotating disk voltammetry in N,N-dimethylformamide. Due to multiple substitutions, the resulting potential gap represents the sum of all substituent effects. Different combinations of substituents can be used to achieve the desired properties of cyclohexene-pyrene derivatives. The electrochemical data presented in this contribution facilitate further tuning of properties of these molecules and systems to achieve features required in material chemistry just by means of chemical modification. Keywords: pyrene; cyclohexene; conjugation Available on request at various institutes of the ASCR Redox Properties of Pyrene-Cyclohexene Conjugates – Electrochemical Study

The series of 16 compounds for "organic electronics" comprising the double-bond cyclohexene core extended by pyrene and/or other aromatics were electrochemically characterized by rotating disk ...

Koláčná, Lucie; Čubiňák, M.; Tobrman, T.; Ludvík, Jiří
Ústav fyzikální chemie J. Heyrovského, 2024

Electrochemical Valorization of Lignocellulosic Biomass Amination of Furfural and 5-Hydroxymethylfurfural
Donkeng Dazie, Joel; Koláčná, Lucie; Urban, Jiří; Lamač, Martin; Ludvík, Jiří
2024 - English Furfural (FF) and 5-hydroxymethylfurfural (HMF) isolated from waste lignocellulosic biomass represent renewable sources. The present contribution deals with the transformation of FF and HMF into furfuryl amines which are important precursors namely for pharmaceutical synthesis. First, FF and HMF underwent condensation reactions with various amines which were electrochemically monitored to optimize the process. The resulting Schiff bases were identified by NMR and subsequently electrochemically reduced in basic media. The vicinal diamine (aminopinacol) was the main product besides the expected furfuryl amines. This reaction is a contribution to green synthesis because it was performed electrochemically, in water, and without any metallic catalysts. Keywords: furfural; 5-hydroxymethylfurfural; (di)amines Available on request at various institutes of the ASCR Electrochemical Valorization of Lignocellulosic Biomass Amination of Furfural and 5-Hydroxymethylfurfural

Furfural (FF) and 5-hydroxymethylfurfural (HMF) isolated from waste lignocellulosic biomass represent renewable sources. The present contribution deals with the transformation of FF and HMF into ...

Donkeng Dazie, Joel; Koláčná, Lucie; Urban, Jiří; Lamač, Martin; Ludvík, Jiří
Ústav fyzikální chemie J. Heyrovského, 2024

Electrochemical Properties of Newly Synthesized Selaginpulvilins
Dostálová, L.; Sokolová, Romana; Schwarzová-Pecková, K.; Rýček, L.
2024 - English The electrochemical properties of newly synthesized selaginpulvilin were investigated by cyclic voltammetry and UV-Vis spectroelectrochemistry. The subject of the study were two\nselaginpulvilins differing in the presence of a hydroxyl group in the media of 0.1 mol L-1 tetrabutylammonium hexafluorophosphate as supporting electrolyte in anhydrous acetonitrile. Both\ncompounds provided an oxidative signal in the positive region until +2.0 V. Keywords: oxidation; cyclic voltammetry; selaginpulvilins Available on request at various institutes of the ASCR Electrochemical Properties of Newly Synthesized Selaginpulvilins

The electrochemical properties of newly synthesized selaginpulvilin were investigated by cyclic voltammetry and UV-Vis spectroelectrochemistry. The subject of the study were two\nselaginpulvilins ...

Dostálová, L.; Sokolová, Romana; Schwarzová-Pecková, K.; Rýček, L.
Ústav fyzikální chemie J. Heyrovského, 2024

3D-printed Electrodes with Nearly Ideal Charge Transfer Characteristics
Vaněčková, Eva; Sebechlebská, Táňa; Kolivoška, Viliam
2024 - English 3D printing is an outstanding manufacturing tool for prototyping customized designs at reduced time and costs, having found applications in fields such as medicine or the automotive industry. The development of printable electrically conductive composite materials brought a revolution to electrochemistry, with 3D-printed electrodes being intensively studied from the viewpoint of\nanalytical performance and stability. However, it is often reported that 3D-printed electrodes have poor charge transfer characteristics, typically due to limited exposure of the electrically conductive phase at the composite surface to the surrounding solution. In this work, we devise and apply simple electrochemical activation procedures that lead to a significant improvement of charge transfer characteristics of 3D printed electrodes. Keywords: three-dimensional printing; electrochemistry; electrodes Available on request at various institutes of the ASCR 3D-printed Electrodes with Nearly Ideal Charge Transfer Characteristics

3D printing is an outstanding manufacturing tool for prototyping customized designs at reduced time and costs, having found applications in fields such as medicine or the automotive industry. The ...

Vaněčková, Eva; Sebechlebská, Táňa; Kolivoška, Viliam
Ústav fyzikální chemie J. Heyrovského, 2024