Multivariate analysis (MA) is becoming a fundamental tool for processing in an efficient way the large amount of data collected in X-ray diffraction experiments. Multi-wedge data collections can increase the data quality in case of tiny protein cryst...
X-ray diffraction theory allows the interpretation of experiments to build a structural model that fits the collected data. As with any experimental science, the observations are subject to uncertainty through the instrument and user limitations. Sim...
We present a comparative theoretical study of silicon crystals irradiated with X-ray free-electron laser pulses, using hard X-ray photons of various energies. Simulations are performed with our in-house hybrid code XTANT based on Monte Carlo, Tight B...
A review. Diffraction methods are a powerful tool to investigate the crystal structure of organic compounds in general and their hydrates in particular. The laboratory standard technique of single crystal X-ray diffraction gives information about the...
X-ray fiber diffraction is a powerful tool used for investigating the molecular structure of muscle and its dynamics during contraction. This technique has been successfully applied not only to skeletal and cardiac muscles of vertebrates but also to...
Femtosecond hard X-ray pulses generated by laser-driven plasma sources are eminently suitable to probe structural dynamics due to the angstrom spatial resolution and sub-picosecond time resolution. However, the insufficient flux of X-ray photons and...
Manmade detention ponds have historically been impacted by anthropogenic activities such as rainwater runoff, car emissions, and drainage from infrastructures, which can lead to complications for pond ecosystems. Sediment samples collected from the n...
The highest-quality X-ray optics can be made of single-crystal materials such as silicon, germanium, or, even better, diamond. Unfortunately, such X-ray optics have one drawback: diffraction losses or the “glitch effect”. This effect mani...
X-ray diffraction analysis is essential in studying stacking faults. Most of the techniques used for this purpose are based on theoretical studies. These studies suggest that the observed diffraction patterns are caused by random stacking faults in c...
The formation of ZnO nanomaterials from different Zn acetylacetonate precursor solutions was studied in situ by employing simultaneous, time-resolved X-ray diffraction (XRD) and X-ray absorption spectroscopy (EXAFS) at the Zn K-edge. The precursor so...
Compound refractive lenses, crafted from single-crystal materials like diamond and silicon, are increasingly favored, particularly in cutting-edge facilities, such as free electron lasers and fourth-generation synchrotrons. These lenses are prized fo...
X-ray penetration in magnesium alloys is significant due to the low X-ray mass attenuation coefficient. To measure the surface residual stresses in magnesium alloys, a correction needs to be made to account for penetration depth. The residual stresse...
Clay minerals and sheet silicates are the main constituents of lutites and clays. These materials are relevant in earth science research as well as in economic geology because of the great variety of applications, based on their particular features a...
X-ray powder diffraction is an ideal technique for the quantitative analysis of a multiphase sample. The intensities of diffraction lines of a phase in a multiphase sample are proportional to the phase fraction and the quantitative analysis can be ob...
In the quasi-binary system CaNi2-MgNi2 solid-solutions CaxMg1−xNi2 (0 ≤ x ≤ 1) were prepared from the elements. They crystallize in the hexagonal Laves phase type (MgNi2, C36) for x ≤ 0.33 (P63/mmc, a = 482.51(7) pm, c = 1582.1(3) pm f...
Energy-Dispersive X-ray Diffraction (EDXRD) employs a polychromatic (white) X-ray beam and an energy-discriminating detector at a fixed scattering geometry to measure diffracted intensity as a function of photon energy. This technique enables the rap...
X-ray powder diffraction is a vital analytical tool that is used in pharmaceutical science. It is increasingly used to establish the crystal structure of a new pharmaceutical substance, in particular, cocrystal or its polymorphic forms. This review b...
Over the past few decades, significant advancements in protein crystallography have led to a steady increase in the number of determined protein structures. The X-ray diffraction experiment remains one of the primary methods for investigating protein...
In this study, natural tinaksite (K2Ca2NaTi[Si7O18OH]O) and tokkoite (K2Ca4[Si7O18OH](OH,F)) collected in charoite rocks of the Murun alkaline massif (Siberia, Russia) were examined by X-ray diffraction and optical and vibrational spectroscopic metho...
We report the results of X-ray diffraction (XRD) measurements of the dogs’ claws and show the feasibility of using this approach for early, non-invasive cancer detection. The obtained two-dimensional XRD patterns can be described by Fourier coe...
The simultaneous measurement of two Bragg reflections by Bragg coherent X-ray diffraction is demonstrated on a twinned Au crystal, which was prepared by the solid-state dewetting of a 30 nm thin gold film on a sapphire substrate. The crystal was orie...
The quantification and localization of elastic strains and defects in crystals are necessary to control and predict the functioning of materials. The X-ray imaging of strains has made very impressive progress in recent years. On the one hand, progres...
The bauxite ores of Kazakhstan were analyzed using Mössbauer spectroscopy, X-ray diffraction and an X-ray fluorescence analysis. Experimental data on the structural–phase composition of bauxites were obtained, and the features of the iron-...
We have studied the behaviour of the cubic spinel structure of FeV2O4 under high-pressure by means of powder X-ray diffraction measurements and density-functional theory calculations. The sample was characterized at ambient conditions by energy-dispe...
The evolution of the mechanical properties of Zr-2.5Nb pressure tubing during irradiation is dependent on dislocation loop densities that are represented by the broadening of X-ray diffraction lines. Empirical models for the integral breadth of the d...
In semi-arid areas, light buildings, highways, and pavements are frequently damaged by the subsurface swelling or shrinkage of expansive soils during both wetting and drying cycles. The goal of this research is to explore the X-ray diffraction of nat...
We propose a new method to determine the absolute structure of chiral crystals, which is based on the chiral asymmetry of multiple scattering diffraction. It manifests as a difference in the azimuthal dependence of the forbidden Bragg reflection inte...
X-ray diffraction (XRD) is a proven, powerful technique for determining the phase composition, structure, and microstructural features of crystalline materials. The use of machine learning (ML) techniques applied to crystalline materials research has...
Cyclometallated compounds have been extensively studied, in particular those with palladium and platinum. This is because of their possible applications in medicinal chemistry, as anticancer or antimicrobial agents; in some cases, with similar result...
Small angle X-ray fiber diffraction is the method of choice for obtaining molecular level structural information from striated muscle fibers under hydrated physiological conditions. For many decades this technique had been used primarily for investig...
X-ray Free-Electron Lasers have made it possible to record time-sequences of diffraction images to determine changes in molecular geometry during ultrafast photochemical processes. Using state-of-the-art simulations in three molecules (deuterium, eth...
The process of X-ray diffraction on the X-112° Y-cut of a LiTaO3 crystal excited by surface acoustic waves (SAW) with a wavelength of
Quantitative X-ray diffraction (QXRD) (also known as the Rietveld method) was used to analyze the precipitates present in Grade 100 microalloyed steel. The precipitates were extracted from the steel using electrolytic dissolution and the residue from...
The structural analysis of the synthetic glycolipid crystalline phase has been performed during the past few decades; however, it has not been sufficiently understood in terms of both static and dynamic aspects. We have recently shown that grazing in...
Hafnium oxide (HfO2) thin films have been made by atomic vapor deposition (AVD) onto Si substrates under different growth temperature and oxygen flow. The effect of different growth conditions on the structure and optical characteristics of deposited...
Synchrotron small-angle X-ray diffraction is the method of choice for nm-scale structural studies of striated muscle under physiological conditions and on millisecond time scales. The lack of generally applicable computational tools for modeling X-ra...
It is demonstrated, that recently proposed by the author Q-ball mechanism of the pseudogap state and high-Tc superconductivity in cuprates may be detected in micro X-ray diffraction, since it imposes inverse correlations between the size and scatteri...
The three-point bending behavior of a single Au nanowire deformed by an atomic force microscope was monitored by coherent X-ray diffraction using a sub-micrometer sized hard X-ray beam. Three-dimensional reciprocal-space maps were recorded before and...
Background/Objectives: With the number of detected breast cancer cases growing every year, there is a need to augment histopathological analysis with fast preliminary screening. We examine the feasibility of using X-ray diffraction measurements for t...
High mechanical strength is one of the superior properties of metallic glasses which render them promising as a structural material. However, understanding the process of mechanical deformation in strongly disordered matter, such as metallic glass, i...
Powder X-ray diffraction measurements were carried out on various samples to characterize their thermal expansion over a wide temperature range (93–1373 K). Using an effective interatomic potential model, we present a method to empirically esti...
The reaction between a cholro-bridged dinuclear compound (a, b) and a diphosphine (dppm) ligand in a molar ratio of 1:2 yielded a mononuclear compound [{Pd[R-C6H3C(H)=NCy]{Ph2PCH2PPh2-P,P}][PF6] {R = 3-CHO (1a), 4-CHO (1b)}. The compounds were charac...
The physical properties of molecular crystals are governed by the frontier orbitals of molecules. A molecular orbital, which is formed by superposing the atomic orbitals of constituent elements, has complicated degrees of freedom in the crystal becau...
A speckle-based method for the X-ray crystal diffraction wavefront measurement is implemented, and the slope errors of channel-cut crystals with different surface characteristics are measured. The method uses a speckle scanning technique generated by...
With the growing number of cancer cases and deaths around the world, fast, non-invasive, and inexpensive screening is paramount. We examine the feasibility of such cancer detection using the X-ray scattering properties of nails in the canine model. A...
Studies of the mineralogical composition were carried out, and the features of the clays from the deposits of Kazakhstan were established using Mössbauer spectroscopy (MS) and X-ray diffraction analysis (XRD). According to the XRD results, all t...
This work explores the advantages and disadvantages of a methodology using high-energy X-ray diffraction to determine residual stresses in multilayer structures produced by atmospheric plasma spraying. These structures comprise a titanium alloy subst...
The lattice parameters of both the product phase and the matrix phase have determined using in situ X-ray and neutron diffraction measurements during forward and reverse transformations in steels. The lattice parameters are well known to be influence...
In this paper, we report the possibility of using the X-ray powder diffraction (XRPD) technique to detect gamma-hydroxybutyric acid (GHB) in the form of its sodium salt in different beverages, but because it is not possible to freely buy GHB, beta-hy...
Spatially resolved elastic strains in the bulk interior of a laminated Ti-Al metal composite were studied during in situ tensile loading at strains up to 1.66% by a synchrotron-based micro-diffraction technique, namely differential aperture X-ray mic...
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