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Search results for: BINBO4 CERAMICS, PRESSURELESS SINTERING, X-RAY DIFFRACTION, PHASE ANALYSIS, CRYSTAL STRUCTURE
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CdWO/sub 4/ crystal in gamma-ray spectrometry
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MgPdSb─An Electron-Deficient Half-Heusler Phase
PublicationThe half-Heusler family consists of many semiconducting intermetallic compounds, virtually all of them having a valence electron count (VEC) of 18. We have studied an electron-deficient (VEC = 17) phase MgPdSb and its Pd-stuffed variant MgPd1.25Sb. The cubic F4̅3m crystal structure was confirmed by the Rietveld refinement of powder X-ray diffraction (XRD) data. The lattice parameter is a = 6.284 and 6.335 Å for MgPdSb and MgPd1.25Sb,...
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Two-dimensional simulations of concrete fracture at aggregate level with cohesive elements based on X-ray lCT images
PublicationThe paper presents results of two-dimensional meso-scale simulations of fracture in notched concrete beams subjected to three-point bending test. Concrete was assumed as a 4-phase material composed of aggregate grains placed in the cement matrix, interfacial transitional zones (ITZs) and macro-voids. The particle distribution was taken from real concrete beams on the basis of X-ray lCT images. Comprehensive numerical analyses were carried...
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Age Prediction from Low Resolution, Dual-Energy X-ray Images Using Convolutional Neural Networks
PublicationAge prediction from X-rays is an interesting research topic important for clinical applications such as biological maturity assessment. It is also useful in many other practical applications, including sports or forensic investigations for age verification purposes. Research on these issues is usually carried out using high-resolution X-ray scans of parts of the body, such as images of the hands or images of the chest. In this...
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X-ray diffraction spectra of modification of TiO2 nanotubes by graphene - strontium and cobalt molybdate perovskite
Open Research DataData show XRD results for strontium and cobalt molybdate-modified nanotubes that were also decorated with graphene oxide. The crystalline phases were characterized by X-ray diffractometer (Philips X”Pert with detector X’Celerator Scientific).
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A Wideband Corrugated Ridged Horn Antenna with Enhanced Gain and Stable Phase Center for X- and Ku-Band Applications
PublicationIn this letter, a structure and design procedure of a novel double-flared conical horn antenna with an improved gain and a stable phase center is presented. The antenna incorporates a hybrid ridged and corrugated structure. A double-ridged section is responsible for ensuring a wideband operation, whereas the corrugated section supports the hybrid mode. The antenna impedance bandwidth (VSWR < 2) is 6 GHz to 20 GHz. Excellent performance...
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TaRh 2 B 2 and NbRh 2 B 2 : Superconductors with a chiral noncentrosymmetric crystal structure
PublicationIt is a fundamental truth in solid compounds that the physical properties follow the symmetry of the crystal structure. Nowhere is the effect of symmetry more pronounced than in the electronic and magnetic properties of materials—even the projection of the bulk crystal symmetry onto different crystal faces is known to have a substantial impact on the surface electronic states. The effect of bulk crystal symmetry on the properties...
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The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester
PublicationThe synthesis of a potential immunosuppressant, i.e. dimethyl ester of N-mycophenoyl malonic acid was optimized in the reaction of mycophenolic acid (MPA) with amino malonic dimethyl ester in the presence of propanephosphonic anhydride (T3P) as a coupling reagent. The structural properties of the obtained MPA derivative were investigated by NMR, MS and single crystal X-ray diffraction methods. Theoretical considerations of conformational...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Isogeometric Shell FE Analysis of the Human Abdominal Wall
PublicationIn this paper a nonlinear isogeometric Kirchhoff-Love shell model of the human abdominal wall is proposed. Its geometry is based on in vivo measurements obtained from a polygon mesh that is transformed into a NURBS surface, and then used directly for the finite element analysis. The passive response of the abdominal wall model under uniform pressure is considered. A hyperelastic membrane model based on the Gasser-Ogden-Holzapfel...
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Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublicationIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
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Time Delay Estimation in Two-Phase Flow Investigation Using the γ-Ray Attenuation Technique.
PublicationTime delay estimation is an important research question having many applications in a range of technologies. Measurement of a two-phase flow in a pipeline or an open channel using radioisotopes is an example of such application. For instance, the determination of velocity of dispersed phase in that case is based on estimation of the time delay between two stochastic signals provided by scintillation probes. The proper analysis...
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Use of X-ray radiography in the diagnosis of bonded anchors
PublicationKotwy wklejane należą do najbardziej popularnych metod montażu elementów konstrukcyjnych. Promieniowanie rentgenowskie częściowo umożliwia diagnostykę zespolenia lepiszcza z podłożem. W pracy przedstawiono wyniki analizy wpływu parametrów technicznych aparatów rentgenowskich na sposób i dokładność wykonania zdjęć diagnostycznych osadzenia kotew stalowych przy zastosowaniu lepiszcza syntetycznego
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High temperature monoclinic-to-tetragonal phase transition in magnesium doped lanthanum ortho-niobate
PublicationMagnesium doped lanthanum ortho-niobate (La0.98Mg0.02NbO4) was prepared by the molten salt synthesis method. X-ray diffraction and dilatometry methods were used to study high temperature behavior of the ceramic material. Special attention was paid to the phase transition between the monoclinic and tetragonal phases. The values of spontaneous strain on the basis of unit cell parameter, obtained by Rietveld refinement, have been...
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Influence of the annealing condictions on the chemical structure of LaBaGdCo ceramics
Open Research DataCeramic samples based on Barium, Lanthanum, Gadolinium and Cobaltium were produced by solid state reaction. After sintring in a furnance, samples were annealed at 300 Celsius degree in wet and dry atmosphere. Annealing takes 72h or 2h. Results of annealing were observed by X-Ray photoemission spectroscopy (XPS), OmicronNanotechnology. XPS analysis...
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SEI Growth and Depth Profiling on ZFO Electrodes by Soft X-Ray Absorption Spectroscopy
PublicationZnFe2O4 (ZFO) Li-ion batteries (LIBs) represent a reliable, affordable, and safe energy storage technology for use in portable application. However, current LIB active materials (graphite, lithium/transition metal spinel or layered oxides, olivine structures) can store only limited energy since they rely on insertion storage based on solid-state host-guest interactions. Moreover, performances and durability of the cells are strongly...
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The synthesis, x-ray structure and metal cation complexation properties of colored crown with two heterocyclic residues as a part of macrocycle
PublicationZsyntezowano nowy eter koronowy zawierający ugrupowanie azowe, resztę pirolu i pirydyny w pierścieniu makrocyklicznym. Badano zdolność kompleksowania kationów metali w acetonitrylu oraz mieszaninę acetonitryl-woda. Do pomiarów wykorzystano spektrofotometrię UV-Vis. Ustalono strukturę krystalograficzną otrzymanego związku.
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Synthesis and Properties of Di-isopropylamino Derivatives of Diphosphanes and Triphosphanes: The X-Ray Structure of (iPr2N)2P-P(SiMe3)2
PublicationPrzeprowadzono reakcję (iPr2N)2PCl z P(SiMe3)2Li w wyniku której otrzymano difosfan (iPr2N)2P-P(SiMe3)2. Strukturę związku określono przy pomocy rentgenowskiej analizy strukturalnej. Otrzymano także pochodną litową (iPr2N)2P-P(SiMe3)Li w rekcji z nBuLi. W reakcji (iPr2N)2PCl z (iPr2N)2P-P(SiMe3)Li otrzymano trifosfan (iPr2N)2P-P(SiMe3)-P(NiPr2)2 z dużą wydajnością. Próby otrzymania pochodnej litowej (iPr2N)2P-PLi-P(NiPr2)2 zakończyły...
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Unraveling the origin of the complex structure of the thorium Lγ x-ray lines in high-resolution spectra induced by heavy projectiles
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Modelling of concrete facture at aggregate level using DEM based on x-ray mu CT images of internal structure
PublicationW artykule pokazano wyniki dyskretne DEM dla pękania betonu poddanego zginaniu. Beton został symulowany jako ośrodek 4-fazowy. Mikrostrukturę betonu określono na podstawie zdjęć uzyskanych mikro-tomografem. Szczególną uwagę zwrócono na zjawiska mikrostrukturalne podczas zarysowania na poziomie kruszywa.
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Modelling of concrete fracture at aggregate level using FEM and DEM based on X-ray uCT images of internal structure
PublicationArtykuł podejmuje problem pękania w zginanych belkach betonowych. Proces pękania był obserwowany przy zastosowaniu mikrotomografii . Zaobserwowany proces był symulowany numerycznie przy zastosowaniu metody elementów skończonych i metody elementów dyskretnych. Beton był opisany jako materiał 4-fazowy. Otrzymano dobrą zgodność wyników numerycznych z doświadczalnymi.
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublicationNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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The bismuth atom neighbourhood in bismuth-silicate glasses from X-ray absorption experiment
PublicationPraca zawiera wyniki strukturalnej analizy EXAFS lokalnego otoczenia atomów bizmutu w krystalicznym tlenku bizmutu (odmiana alfa) i w szklach bizmutowo-krzemianowych o składzie xBi2O3 (1-x)SiO2,x=0.3, 0.4, 0.5, 0.6. Analizę XA- FS realizowano w oparciu o metodę GNXAS. Otrzymane wyniki porównano z danymi literaturowym.
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Analysis of the bulk solid flow during gravitational silo emptying using X-ray and ECT tomography
PublicationW pracy przedstawiono wyniki pomiarów zmian koncentracji piasku bezkohezyjnego zachodzących w prostokątnym modelu silosu opróżnianym grawitacyjnie. Pomiary wykonano z zastosowaniem kontynualnego promieniowania rentgenowskiego oraz z użyciem tomografii pojemnościowej. Badania wykonano dla zróżnicowanego zagęszczenia początkowego piasku oraz różnego stopnia szorstkości ścian. Szczególny nacisk położono na zachowanie sie materiału...
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Crystal structure and physical properties of new Ca2TGe3 (T = Pd and Pt) germanides
PublicationThe crystallographic, electronic transport and thermal properties of Ca2PdGe3 and Ca2PtGe3 are reported. The compounds crystalize in an ordered variant of the AlB2 crystal structure, in space group P6/mmm, with the lattice parameters a = 8.4876(4) Å/8.4503(5) Å and c = 4.1911(3) Å/4.2302(3) Å for Ca2PdGe3 and Ca2PtGe3, respectively. The resistivity data exhibit metallic behavior with residual-resistivity-ratios (RRR) of 13 for...
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Dielectric Spectroscopy Studies and Modelling of Piezoelectric Properties of Multiferroic Ceramics
PublicationCompounds and solid solutions of bismuth ferrite (BiFeO3)—barium titanate (BaTiO3) system are of great scientific and engineering interest as multiferroic and potential high-temperature lead-free piezoelectric materials. In the present paper, the results of research on the synthesis and characterisation of 0.67Bi1.02FeO3–0.33BaTiO3 (67BFBT) ceramics in terms of crystal structure and dielectric and piezoelectric properties are reported....
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Determination of selenium by X-ray fluorescence spectrometry using dispersive solid-phase microextraction with multiwalled carbon nanotubes as solid sorbent
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CRYSTAL GROWTH & DESIGN
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Inner-shell fragmentation of molecules into neutral fragments in high-Rydberg states induced by soft X-ray excitation with pulsed-field ionization
PublicationIn the present communication, we will show the results of measurements probing the production of neutral high-Rydberg fragments at the K edges of the molecules containing oxygen and nitrogen atoms. The experiments were performed at the Gas Phase beamline of the Elettra synchrotron radiation laboratory (Trieste, Italy), exploiting a combined soft X-ray excitation with pulsed-field ionization and ion time-of-flight (TOF) spectrometry...
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ortho-Fluorobenzanilides and ortho-fluorothiobenzanilides: Molecular conformations and crystal packing
PublicationSeries of 2-fluoro and 2,6-difluorobenzanilides and their thiobenzanilide analogs have been synthesized to investigate the influence of the fluorine atom on their crystal structures and self-assembly in the crystal lattice. The X-ray analysis of the single crystal revealed that the synthesized molecules adopt a geometry being deflected from planarity. The deflection was investigated by analysis of dihedral angles between mean planes...
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Electron scattering by planar boron-containing molecules BX3(X=F, Cl, CD3)
PublicationPraca prezentuje absolutny całkowity przekrój na rozpraszanie elektronów dla drobiny B(CD3)3 w zakresie niskich i średnich energii, otrzymany liniową metodą transmisyjną. Porównanie wyników dla innych płaskich drobin zawierających bor jako atom centralny - BX3(X=F, Cl) ukazuje rolę atomów zewnętrznych w procesie rozpraszania.
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X-ray diffraction (XRD) patterns of nickel(II) oxide (NiO) functionalized borophene and bulk boron
Open Research DataThese data include X-ray diffration (XRD) patterns of nickel(II) oxide (NiO) functionalized borophene before and after oxygen evolution reaction (OER), bulk boron (B), graphiic foil (GF) and nickel(II) oxide nanoparticles (NiO).
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Combining X-ray tomogrpahy imaging and DEM simulations to investigate granular material flow during silo discharging
PublicationEven after few decades of research, the study of particle motion taking place during silo discharging hasn’t been fully addressed, both experimentally and numerically, because of nontrivial behaviors that occur during associated flow patterns. For instance, discrete element method (DEM) has shown good qualitative prediction potential of velocity profile, but, on the other hand, frequently failed to match quantitatively experimental...
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Structural investigations of niobium-doped bioactive calcium-phosphate glass-ceramics by means of spectroscopic studies
PublicationSynthetic calcium-phosphate based glasses and glass-ceramics play a crucial role in the development of tissue engineering. These materials have a high biocompatibility with biological analogues, excellent ability to undergo varying degrees of resorbability and due to their non-toxicity and relatively high bioactivity they are commonly used as bone and dental implants. A substantial research effort is devoted to improve synthetic...
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Effect of Aromatic System Expansion on Crystal Structures of 1,2,5-Thia- and 1,2,5-Selenadiazoles and Their Quaternary Salts: Synthesis, Structure, and Spectroscopic Properties
PublicationRational manipulation of secondary bonding interactions is a crucial factor in the construction of new chalcogenadiazole-based materials. This article reports detailed experimental studies on phenanthro[9,10-c][1,2,5]chalcogenadiazolium and 2,1,3-benzochalcogenadiazolium salts and their precursors. The compounds were synthesized, characterized employing NMR and UV-Vis spectroscopy. TD-DFT calculations were also performed. The influence...
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Crystallization and preliminary X-ray analysis of the isomerase domain of glucosamine-6-phosphate synthase from Candida albicans
PublicationSyntaza glukozamino-6-fosforanu (EC 2.6.1.16) katalizuje pierwszy, praktycznie nieodwracalny etap w szlaku biosyntezy heksozoamin, którego produktem końcowym jest UDP-GlcNAc, kluczowy substrat dla tworzenia ściany komórkowej drobnoustrojów. Otrzymano kryształy domeny izomerazowej syntazy GlcN-6-P z Candida albicans, składającej się z reszt 346-712 (42 kDa). Analiza rentgenograficzna kryształu wykazała, że należy on do grupy przestrzennej...
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X-ray diffractometry results of the Sr1.05Ti0.30Fe0.70O3-d material before and after H2-TPR measurement
Open Research DataThis dataset contains results of X-ray diffractometry mesurement (XRD) of the Sr1.05Ti0.30Fe0.70O3-d material. The phase composition of the investigated powders was analyzed by XRD at room temperature. The X-ray diffractometry (XRD) technique was used to determine the phase composition of the fabricated powder and powder after H2-TPR (temperature programmed...
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X-ray diffractometry results of the Sr0.90Ti0.30Fe0.70O3-d material before and after H2-TPR measurement
Open Research DataThis dataset contains results of X-ray diffractometry mesurement (XRD) of the Sr0.90Ti0.30Fe0.70O3-d material. The phase composition of the investigated powders was analyzed by XRD at room temperature. The X-ray diffractometry (XRD) technique was used to determine the phase composition of the fabricated powder and powder after H2-TPR (temperature programmed...
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X-ray diffractometry results of the Sr1.00Ti0.30Fe0.70O3-d material before and after H2-TPR measurement
Open Research DataThis dataset contains results of X-ray diffractometry mesurement (XRD) of the Sr1.00Ti0.30Fe0.70O3-d material. The phase composition of the investigated powders was analyzed by XRD at room temperature. The X-ray diffractometry (XRD) technique was used to determine the phase composition of the fabricated powder and powder after H2-TPR (temperature programmed...
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X-ray diffractometry results of the Sr0.95Ti0.30Fe0.70O3-d material before and after H2-TPR measurement
Open Research DataThis dataset contains results of X-ray diffractometry mesurement (XRD) of the Sr0.95Ti0.30Fe0.70O3-d material. The phase composition of the investigated powders was analyzed by XRD at room temperature. The X-ray diffractometry (XRD) technique was used to determine the phase composition of the fabricated powder and powder after H2-TPR (temperature programmed...
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Response of thermoluminescence dosemeters statically exposed to X-ray radiation
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Confined lead nanogranules investigated by X-ray absorption spectroscopy
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Eu3+ doped tellurite glass ceramics containing SrF2 nanocrystals: Preparation, structure and luminescence properties
PublicationEu3+ doped tellurite glass ceramics containing SrF2 nanocrystals were prepared using melt quenching technique and subsequent heat treatment of glass in 370 °C for different time periods. Thermal properties of glass matrix have been determined based on DSC measurements. XRD and XPS results confirmed formation of SrF2 nanocrystals in glass matrices after annealing at 370 °C. FTIR studies revealed absorption bands in the range of...
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Phase Transition in a Sequence-Structure Channel
PublicationWe study an interesting channel which maps binary sequences to self-avoiding walks in the two-dimensional grid, inspired by a model of protein folding from statistical physics. The channel is characterized by a Boltzmann/Gibbs distribution with a free parameter corresponding to temperature. We estimate the conditional entropy between the input sequence and the output fold, giving an upper bound which exhibits an unusual phase transition...
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Growth, Crystal Structure and Magnetic Characterization of Zn-Stabilized CePtIn4
PublicationThe growth and characterization of CePtIn4, stabilized by 10% Zn substitution for In, is reported. The new material is orthorhombic, space group Cmcm (No. 63), with lattice parameters a = 4.51751(4) Å, b = 16.7570(2) Å, and c = 7.36682(8) Å, and the refined crystal composition has 10% of Zn substituted for In, i.e., the crystals are CePt(In0.9Zn0.1)4. Crystals were grown using a self-flux method: only growths containing Zn yielded...
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Characterization methods of nickel nano-particles obtained by the ex-solution process on the surface of Pr, Ni-doped SrTiO3 perovskite ceramics
PublicationIn this paper, a novel electrode material based on Pr, Ni co-doped strontium titanate ( Sr0.7Pr0.3)xTi1−yNiyO3 with constant amount of 30% praseodymium dopant, different amount of nickel (y = 0.06 and y = 0.10) and additional nonstoichiometry in Sr-site (x = 1; x = 0.9 and x = 0.8) was investigated as fuel electrode for SOEC devices. A porous ceramics were prepared by solid-state reaction method. X-ray diffraction measurements...
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Two-phase flow structure assessment based on dynamic image analysis
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POWDER DIFFRACTION
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SCIENCE OF SINTERING
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Modulated crystal structures - periodicity in more than three dimensions
PublicationThe initial definition of a crystal was that it is an object with flat faces. When diffraction studies were developed it turned out that crystal consists of a highly ordered particles and it is possible to isolate a small unique part of their structure - a unit cell - and the definition has been changed to rely on this fact. Nowadays by a crystal we mean any solid having an essentially discrete diffraction diagram. It is because...