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POWDER DIFFRACTION
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Explainable machine learning for diffraction patterns
PublicationSerial crystallography experiments at X-ray free-electron laser facilities produce massive amounts of data but only a fraction of these data are useful for downstream analysis. Thus, it is essential to differentiate between acceptable and unacceptable data, generally known as ‘hit’ and ‘miss’, respectively. Image classification methods from artificial intelligence, or more specifically convolutional neural networks (CNNs), classify...
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Phase-decoupled refraction–diffraction for spectral wave models
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Optical Diffraction Strain Sensor Prepared by Interference Lithography
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About Unusual Diffraction and Thermal Self-Action of Magnetosonic Beam
PublicationThe dynamics of slightly diverging two-dimensional beams whose direction forms a constant angle θ with the equilibrium straight magnetic strength is considered. The approximate dispersion relations and corresponding links which specify hydrodynamic perturbations in confined beams are derived. The study is dedicated to the diffraction of a magnetosonic beam and nonlinear thermal self-action of a beam in a thermoconducting gaseous plasma....
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DIFFRACTION PHASE MICROSCOPY FOR OBSERVATION ON RED BLOOD CELLS FLUCTUATION
PublicationNowadays there is quite huge need for more and more precise and effective fast diagnostics methods in hematology diseases. One of the most important blood components are erythrocytes – RBCs (Red Blood Cells). Due to their size they are easy to observe using microscopy. It is commonly known that the shape and lifetime of RBCs allows for early disease identification. Authors present special measurement system for RBCs fluctuations observation...
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PHASE OBJECT OBSERVATION SYSTEM BASED ON DIFFRACTION PHASE MICROSCOPY
PublicationIn the paper authors present a special measurement system for observing phase objects. The diffraction phas microscopy makes it possible to measure the dimensions of a tested object with a nanometre resolution. To meet this requirement, it is proposed to apply a spatial transform. The proposed setup can be based either on a two lenses system (called 4 f ) or a Wollaston prism. Both solutions with all construction aspects are described...
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Observation on red blood cells fluctuations by diffraction phase microscopy
PublicationNowadays there is quite huge need for more and more precise and effective fast diagnostics methods in hematology diseases. One of the most important blood components are erythrocytes – Red Blood Cells (RBCs). Due to their size they are easy to observe using microscopy. It is commonly known that the shape and lifetime of RBCs allows for early disease identification. Authors present special measurement system for RBCs fluctuations...
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High-pressure X-ray Diffraction Study of SrSi2O2N2:Eu2+
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Dehydration converts DsbG crystal diffraction from low to high resolution
PublicationDiffraction quality crystals are essential for crystallographic studies of protein structure, and the production of poorly diffracting crystals is often regarded as a dead end in the process. Here we show a dramatic improvement of poorly diffracting DsbG crystals allowing high-resolution diffraction data measurement. Before dehydration, the crystals are fragile and the diffraction pattern is streaky, extending to 10 Å resolution....
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X-RAY DIFFRACTION STUDY OF BISMUTH LAYER-STRUCTURED MULTIFERROIC CERAMICS
PublicationGoal of the present research was to apply a solid state reaction route to fabricate bismuth layer-structured multiferroic ceramics described with the formula Bi5FeTi3O15 and reveal the influence of processing conditions on its crystal structure and phase composition. Simple oxide powders Bi2O3, TiO2 and Fe2O3 were used to fabricate Aurivillius-type bismuth layer-structured ferroelectrics. Pressureless sintering in ambient air was...
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X-Ray Diffraction, Mössbauer Spectroscopy and Magnetoelectric Effect Studies of Multiferroic Bi5Ti3FeO15 Ceramics
PublicationBi5Ti3FeO15 ceramics belongs to multiferroic class of materials. In this work it was prepared by solid-state sintering method and investigated by X-ray diffraction, Mössbauer spectroscopy, and magnetoelectric effect measurements. As it was proved by X-ray diffraction studies the single-phase Bi5Ti3FeO15 compound was obtained. The Mössbauer investigations revealed paramagnetic character of the compound at room temperature as well...
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Measuring radioactive powder samples on the highresolution powder diffraction beamline at the European Synchrotron Radiation Facility
PublicationThis laboratory note describes a new sample preparation technique to enable high-resolution powder diffraction experiments at the European Synchrotron Radiation Facility on radioactive samples. The sample preparation involves setting the active material in resin and several layers of encapsulation suitable for measurement at the beamline. This has allowed low-temperature measurements on very small quantities of samples, providing...
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Anomalous diffraction approach to the visible spectra of absorption by marine particles with power-law size distributions
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Study of the Layer-Type BST Thin Film with X-ray Diffraction and X-ray Photoelectron Spectroscopy
PublicationIn the present paper, results of X-ray photoelectron studies of electroceramic thin films of barium strontium titanate, Ba1xSrxTiO3 (BST), composition deposited on stainless-steel substrates are presented. The thin films were prepared by the sol-gel method. A spin-coating deposition of BST layers with different chemical compositions was utilized so the layer-type structure of (0-2) connectivity was formed. After the deposition,...
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Anomalous diffraction approximation to the light scattering coefficient spectra of marine particles with power-law size distribution
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Measuring radioactive powder samples on the high-resolution powder diffraction beamline at the European Synchrotron Radiation Facility
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Diffraction of a Gaussian beam in a three-dimensional smoothly inhomogeneous medium: an eikonal-based complex geometrical-optics approach
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Oxygen release from BaLnMn2O6 (Ln: Pr, Nd, Y) under reducing conditions as studied by neutron diffraction
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X-ray diffraction and high-resolution NMR spectroscopy of methyl 3azido-2,3-dideoxy-ŕD-lyxo-hexopyranoside
PublicationOpisano strukturę 3-azydo-2,3 dideoksy-ŕ-d-lykso-heksopiranozydu metylu na podstawie danych otrzymanych przy pomocy rentgenowskiej analizy strukturalnej oraz wysokorozdzielczej spektroskopii magnetycznego rezonansu jądrowego. Przedyskutowano również wpływ pierścieniowego atomu tlenu na wartości stałych sprężeń atomów wodoru przy atomach C6 i C1 pierścienia 2-deoksy-D-lyksooraz-D-ksylo-heksopiranozydów.
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Short-range order structure and free volume distribution in liquid bismuth: X-ray diffraction and computer simulations studies
PublicationThe structure of liquid bismuth was studied by X-ray diffraction and computer simulation methods. The contraction of the atomic structure within the first coordination sphere in the temperature interval of 575- 1225 K is reported. The temperature dependencies of the coordination numbers and of the free volume are analysed. On the basis of the temperature dependencies of the free volume, the temperature dependencies of viscosity...
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Study of microstress state of P91 steel using complementary mechanical Barkhausen, magnetoacoustic emission, and X-ray diffraction techniques
PublicationThe paper deals with assessment of microstress state of martensite P91 steel using three complementary techniques: mechanical Barkhausen emission, magnetoacoustic emission (MAE), and X-ray diffraction (XRD) profile analysis. Magnetic coercivity Hc and microstructure were investigated with inductive magnetometry and magnetic force microscopy (MFM), respectively. Internal stress level of P91 steel was modified by heat treatment....
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X-ray absorption fine structure and x-ray diffraction studies of crystallographic grains in nanocrystalline FePd:Cu thin films
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Variable-temperature X-ray diffraction study of structural parameters of NH---S hydrogen bonds in triethylammonium and pyridinium silanethiolates
PublicationHydrogen bonds in triethylammonium and pyridinium silanethiolate salts have been characterized by X-ray, FT–IR and NMR spectroscopies. DFT calculations reveal strongly asymmetric double-well minima at the potential energy curves of the studied compounds
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Comparative X-ray diffraction and Mössbauer spectroscopy studies of BiFeO3 ceramics prepared by conventional solid-state reaction and mechanical activation
PublicationThe aim of this work was to prepare BiFeO3 by modified solid-state sintering and mechanical activation processes and to investigate the structure and hyperfine interactions of the material. X-ray diffraction and Mössbauer spectroscopy were applied as complementary methods. In the case of sintering, BiFeO3 phase was obtained from the mixture of precursors with 3 and 5 % excess of Bi2O3 during heating at 1023 K. Small amounts of...
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Application of vibrational spectroscopy, thermal analyses and X-Ray diffraction in the rapid evaluation of the stability in solid-state of ranitidine, famotidine and cimetidine
PublicationThis paper reports the study on applicability of Fourier transform infrared (FTIR), near-infrared (NIR) and Raman spectroscopy, differential scanning calorimetry (DSC) and X-ray diffraction (XRD) for the estimation of the chemical stability and photostability of histamine H2-receptor antagonist substances. Ranitidine hydrochloride (RAN), famotidine (FAM) and cimetidine (CIM) were tested and differences in sensitivity were measured...
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Modeling of the alcohol dehydrogenase active site. Two different modes of alcohol binding in crystals of zinc and cadmium tri-tert-butoxysilanethiolates evidenced by X-ray diffraction and solid state vibrational spectroscopy
PublicationOpisano syntezę, struktury cząsteczkowe oraz widma FT-IR, 1H. 13C, 29Si, 113Cd NMR dziesięciu nowych, mieszanoligandowych kompleksów cynku i kadmu z ligandem tri-tert-butoksysilanotiolanowym i pochodnymi imidazolu. Za pomocą rentgenowskiej analizy strukturalnej i spektroskopii w podczerwieni udokumentowano dwa różne sposoby wiązania etanolu i metanolu w kryształach tych związków. Opisane kompleksy stanowią modele miejsca aktywnego...
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X-Ray diffraction of the metallic nanostructures
Open Research DataMetallic nanostructures (gold and silver) were manufactured as a thermal annealing of gold or silver thin film. Gold films with thickness of 2.8 nm were deposited on a silicon substrates using a table-top dc magnetron sputtering coater (EM SCD 500, Leica), equipped with quartz microbalance for in-situ thickness measurements. Films were deposited from...
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Pomiary naprężeń w warstwie wierzchniej stali duplex metodą dyfrakcji promieniowania rentgenowskiego g-sin2Ψ = Residual stress measurements in duplex steel surface layers by g-sin2Ψ x-ray diffraction method
PublicationPrzedstawiono wyniki pomiarów naprężeń w warstwie wierzchniej z wykorzystaniem metody dyfrakcji promieniowania rentgenowskiego g-sin2. Wyjaśniono zasady przeprowadzania pomiarów naprężeń na próbkach walcowych o małej średnicy. Badania prowadzono na próbkach okrągłych ze stali duplex, poddanych procesom nagniatania. Stwierdzono występowanie naprężeń ściskających w warstwach powierzchniowych wszystkich badanych próbek oraz istotne...
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The XRD diffraction patterns of LSCNT sintered at various temperatures
Open Research DataThe dataset includes XRD diffraction patterns of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s sintered at various temperatures under air atmosphere for 12 h. Samples were produced using aqueous soft chemistry methods (Pechini).
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The XRD diffraction patterns of LSCNT of different A site nonstoichiometry
Open Research DataThe dataset includes XRD diffraction patterns of La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s and La0.3Sr0.6Ce0.1Ni0.1Ti0.9O3-s sintered at 1200oC under air atmosphere for 12 h. Samples were produced using aqueous soft chemistry methods (Pechini).
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X-ray diffraction spectra of the NiCo2O4 modified by carbon
Open Research DataThis dataset comprises XRD results for NiCo2O4 modified with carbon, varying according to the amount of carbon. In this context, the XRD data provide insights into the crystalline structure and phase composition of the NiCo2O4 material as it is modified with varying quantities of carbon. This investigation is valuable for understanding how the presence...
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The XRD diffraction patterns of La0.3Sr1.7Fe1.5Mo0.5O6 powder calcined at 1200oC in air
Open Research DataThe dataset includes XRD patterns of La0.3Sr1.7Fe1.5Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1200oC for 12 h in air.
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The XRD diffraction patterns of Sr1.9Fe1.4Ni0.1Mo0.5O6 powder calcined at 1100oC in air
Open Research DataThe dataset includes XRD patterns of Sr1.9Fe1.4Ni0.1Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1100oC for 12 h in air.
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The XRD diffraction patterns of Sr1.9Fe1.5Mo0.5O6 powder calcined at 1100oC in air
Open Research DataThe dataset includes XRD patterns of Sr1.9Fe1.5Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1100oC for 12 h in air.
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The XRD diffraction patterns of Sr1.9Fe1.4Ni0.1Mo0.5O6 powder calcined at 1200oC in air
Open Research DataThe dataset includes XRD patterns of Sr1.9Fe1.4Ni0.1Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1200oC for 12 h in air.
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The XRD diffraction patterns of Sr1.9Fe1.5Mo0.5O6 powder calcined at 1200oC in air
Open Research DataThe dataset includes XRD patterns of Sr1.9Fe1.5Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1200oC for 12 h in air.
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The XRD diffraction patterns of La0.3Sr2Al0.1FeMoO6 powder calcined at 1200oC in air
Open Research DataThe dataset includes XRD patterns of La0.3Sr2Al0.1FeMoO6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1200oC for 12 h in air.
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The XRD diffraction patterns of Sr2Al0.1Fe1.4Mo0.5O6 powder calcined at 1100oC in air
Open Research DataThe dataset includes XRD patterns of Sr2Al0.1Fe1.4Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1100oC for 12 h in air.
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The XRD diffraction patterns of La0.3Sr1.7Al0.1Fe1.5Mo0.5O6 powder calcined at 1100oC in air
Open Research DataThe dataset includes XRD patterns of La0.3Sr1.7Al0.1Fe1.5Mo0.5O6 powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 1100oC for 12 h in air.
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The XRD diffraction patterns of Ce(Pr,Sm)O2-s samples
Open Research DataThe dataset includes XRD diffraction patterns of Ce(Pr,Sm)O2-s samples of various stoichiometries of Pr and Sm dopants. Samples were produced using aqueous soft chemistry methods (microemulsion method).
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XRD (X-ray diffraction) spectra of bulk boron and obtained borophene
Open Research DataThis dataset includes XRD (X-ray diffraction) spectra of bulk boron and borophene obtained during sonication process, giving the information on the phase composition and crystallinity of materials.
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The XRD diffraction patterns of Ce(Gd,Pr)O2-s samples
Open Research DataThe dataset includes XRD diffraction patterns of Ce0.8Gd0.2O2-s and Ce0.8Pr0.2O2-s sintered at 600oC under air atmosphere for 4 h. Samples were produced using aqueous soft chemistry methods (Pechini).
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The XRD diffraction patterns of La0.3Sr0.6Ce0.1Ni0.1Mo0.9O3-s powder calcined at 800oC in air
Open Research DataThe dataset includes XRD patterns of La0.3Sr0.6Ce0.1Ni0.1Mo0.9O3-s powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 800oC for 12 h in air.
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The XRD diffraction patterns of La0.3Sr0.6Ce0.1Ni0.1Mo0.9O3-s powder calcined at 800oC in H2
Open Research DataThe dataset includes XRD patterns of La0.3Sr0.6Ce0.1Ni0.1Mo0.9O3-s powder prepared using wet chemistry methods, namely modified Pechini route. The powders were sintered at 800oC for 12 h in H2. Pure perovskite phase was formed
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XRD (X-ray Diffraction) of titanium dioxide coated nickel foams
Open Research DataThese data include XRD patterns of titanium dioxide coated nickel foams heated at 400, 500 and 600C in argon atmosphere.
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The XRD diffraction patterns of Ce0.9M0.1O2 prepared using the reverse microemulsion method
Open Research DataThe dataset includes XRD patterns of Ce0.9M0.1O2 (where M=Mn, Fe, Co, Ni, Cu) nanopowders prepared using the reverse microemulsion method. The powders were precipitated from organic-based solution using tetramethylammonium hydroxide (TMAOH). After the precipitation, the sediment was centrifuged and rinsed with alcohol several times. Precursors powder...
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Powder x-ray diffraction pattern of polycrystalline synthetic leningradite, PbCu3V2O8Cl2
Open Research DataPolycrystalline sample of Cu2+ (S=1/2) antiferromagnetic PbCu3V2O8Cl2 (synthetic analogue of the mineral leningradite) was prepared by solid state reaction of PbCl2, CuO, and V2O5.
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X-ray diffraction patterns of BaCe0.6Zr0.2Y0.1M0.1O3-δ (M = Fe, Pr, Tb)
Open Research DataThe dataset consists of three raw X-ray diffraction (XRD) files collected using a Phillips X’Pert Pro diffractometer (CuKα radiation (𝜆 = 1.541 Å), under 40 kV and 30 mA). The diffraction patterns of BaCe0.6Zr0.2Y0.1Fe0.1O3-δ (BCZYFe), BaCe0.6Zr0.2Y0.1Pr0.1O3-δ (BCZYPr), and BaCe0.6Zr0.2Y0.1Tb0.1O3-δ (BCZYTb) were collected at room temperature. Collected...
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The XRD diffraction patterns of La0.3Sr0.6Ce0.1Ni0.1W0.9O3-s precursor calcined under air atmosphere
Open Research DataThe dataset includes XRD patterns of La0.3Sr0.6Ce0.1Ni0.1W0.9O3-s precursor gel prepared using wet chemistry methods, namely modified Pechini route. The powders were calcined at 550oC for 5 h in air.