The following articles are a selection of those recently accepted for publication in Journal of Applied Crystallography.
See also Forthcoming articles in all IUCr journals.
Synopsis: X-ray reciprocal space mapping was used for investigation porous InP layers. A new advanced statistical dynamical theory applied for numerical data evaluation provided quantitative values for the main structural parameters of porous layers.
Synopsis: A novel experimental method to exploit specular neutron reflection from the surface of mica at the solid/liquid interface is reported. The approach involves supporting a thin mica crystal on a silicon substrate. The applicability of this technique for mica is demonstrated by adsorption of a dichain surfactant to form a complete, unhydrated bilayer at this interface and its partial removal by washing and ion exchange.
Synopsis: 1ynopsis A structural model of nanosized cobalt is fitted to XRD data using the Debye equation. The model allows for shape, size distribution, atom pairs distance distribution and stacking faults. EXAFS and XANES spectra are calculated on the basis the fitted parameters.
Synopsis: Table of Contents: Bushings that protect the plunger in a repeat dispenser device for more effective setting up of LCP crystallization trials are described.
Synopsis: X-ray absorption spectroscopy (XAS) has been used to study the fine structure details of carbothermally-reduced 3 mol% YSZ and understand the effect of sintering on various bond lengths in the starting powder and its sintered counterpart. Influence of ZrC formation on the YSZ matrix was determined with help of x-ray diffraction and XAS. Bond lengths were deduced from the EXAFS pattern of carbothermally reduced sample and compared with those of the pure standards.
Synopsis: Lignin-based carbon composite anodes consisting of nanocrystalline and amorphous domains are studied to develop a relationship of structural properties such as crystallite size, intracrystallite d-spacing, crystalline volume fraction, and composite density with their pair distribution functions (PDF), as obtained from both molecular dynamics simulation and neutron scattering.
Synopsis: A freely available program dedicated to the identification of non-bonded interactions in small molecules as well as biomolecules is introduced. The stand-alone version of the program is currently available for download. The web server can be accessed at http://nucleix.mbu.iisc.ernet.in/molbridge/index.php.
Synopsis: A rhombohedral analysis method for analysing a lattice distortion in (111) textured face-centered cubic (fcc) film under rotationally symmetric stress is proposed and applied to ultrathin Pt films deposited under argon-nitrogen atmosphere.
Synopsis: The calibration of a high energy diffractometer comprising a rotation axis and an area detector is assessed. An independent method for high-accuracy determination of the cell parameters of undeformed crystals is introduced.
Synopsis: The algebraic expressions of the correlation functions of the regular tetrahedron and octahedron are presented.
Synopsis: A polycrystalline commercially pure sample of titanium has been measured using near-field and far-field three-dimensional X-ray diffraction techniques. The indexing results obtained with two different software packages (DCT and ImageD11) are compared.
Synopsis: The polarization coefficient is determined with a two-dimensional area detector via a cosine interpolation of the azimuthal dependence of the intensity variation at a constant diffraction angle.
Synopsis: This article presents a new microcrystalline Sr11Mo4O23 material with a strongly defective structure resulting from oxygen vacancies and broken corner-sharing connectivity in the octahedral framework. The ionic conductivity is considerably activated after the reversible process of removal/uptake of O atoms.
Synopsis: Spin-echo small-angle neutron scattering is used to measure the average density of a charge-stabilized colloidal silica suspension confined in an array of channels whose width is a few times the particle diameter. The particle density in the channels is almost twice that in the neighboring colloidal fluid and is consistent with the particles organizing in close-packed sheets parallel to the channel walls.
Synopsis: Resonant X-ray magnetic scattering has revealed the site-specific magnetic moments at two non-equivalent Fe ion sites in Fe3O4.
Synopsis: The crystal structure of hydrated (±)-mefloquine hydrochloride is determined by an ab initio algorithm (simulated annealing) using X-ray powder diffraction data and confirmed by a combination of theoretical calculations and Fourier transform-infrared spectroscopy.
Synopsis: All-diamond optical assemblies holding state-of-the-art type IIa diamond crystals enable the construction of a beam-multiplexing X-ray double-crystal monochromator for hard X-ray free-electron lasers. Details on the design, fabrication and X-ray diffraction characterization of the assemblies are reported.
Synopsis: Diffraction experiments on a time-of-flight neutron strain scanner allow for nondestructive measurement of bulk texture within metallic components with 1 mm spatial resolution.
Synopsis: A remote-controlled microfluidic device for protein solution concentration and buffer exchange, simultaneous with small-angle X-ray scattering and ultraviolet absorption measurements, is presented.
Synopsis: Rietveld analyses of X-ray data were used to study the atomic arrangements in the hexagonal and orthorhombic martensites of the Ti-Nb system.
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