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: Microradian X-ray diffraction shows that the porous structure of anodic alumina films possesses long-range orientational order and very extended longitudinal self-correlations while the interpore positional order is rather short-range, not more than ~10 interpore distances.
Synopsis: Significant improvement of crystalline perfection by annealing in LAM single crystals was found. Due to improvement in crystalline perfection, remarkable enhancement in SHG efficiency, optical transparency, fluorescence intensity and dielectric properties was observed.
Synopsis: The broadening of X-ray and electron diffraction peaks due to helicoidal twist of lamellar crystals is analyzed in the limit of small natural reflection width. The proposed approach can be useful for interpretation of micro-beam diffractograms measured on banded polymer spherulites.
Synopsis: Simulation of kinematic diffraction from a thin Si film illuminated by a coherent, focused X-ray nanobeam is presented and compared to experimental data measured at the Nanoprobe Instrument at Sector 26 of the Advanced Photon Source.
Synopsis: Estimation of features of an ensemble of Au nanoparticles using pair distribution function data is investigated via optimization of a model function calculated by simulation of an ensemble of particles.
Synopsis: In situ X-ray diffraction has been used to investigate goethite-seeded Al(OH)3 precipitation from synthetic Bayer liquor at 343 K. Rietveld-based quantitative phase analysis has allowed for the determination of the absolute phase abundances of the precipitated phases, and for the determination of kinetic information.
Synopsis: In view of the study of the long-term operation of solid oxide fuel cells, three (Mn,Co,Cr)O
samples have been synthesized and characterized using X-ray and neutron diffraction on powder samples at room temperature. The data were co-refined using the GSAS software package.
Synopsis: The variable-temperature X-ray diffraction results of the
(001),
(101) and
(103) lattice planes of one-dimensional Ta2O5 nanorods showed complex and polymorphic thermochromic phase transformations, which incorporate
-to-
(
-
),
-
-
and
-
phase transitions at elevated temperatures ranging from 80 to 300 K. The d-spacing expansions of the lattice planes can explain the thermochromic phase transformations between
- and
-phase crystals.
Synopsis: Local minimization algorithms have been used to solve two moderately complex molecular crystal structures from powder diffraction data. The results are used to characterize the
2 agreement surface and provide a benchmark against which the performance of other optimization algorithms can be assessed.
Synopsis: A simple, physically-based model which uses up to three refinable parameters to fit peak profiles is presented. The use of this model reduces the total number of parameters required to fit the observed peak profiles, hence leading to increased stability during profile analysis.
Synopsis: Analytical transmission electron microscopy results show that a precipitate and its parent crystal, either with or without a similar oxygen framework, always establish a specific crystallographic relationship in which the differences in the g vector pairs (
g) of the two structures are aligned in the same direction, and that the precipitate exhibits a growth habit plane normal to the
g. This normal-to-
g principle is formulated to calculate the optimum interphase boundaries in several mineral systems and gives results comparable with other models.
Synopsis: A thermosyphon-driven flow-through cell has been designed and constructed for hydrothermal crystallization studies by the in situ and time-resolved neutron diffraction technique, and has been demonstrated by the hydrothermal transformations between KAlSi2O6 and NaAlSi2O6·H2O on the high-intensity powder diffraction beamline WOMBAT at the Australian Nuclear Science and Technology Organization (ANSTO). The cell is located at ANSTO and is open to worldwide users.
Synopsis: The corrections necessary to conduct and analyze fixed incident angle reflection geometry experiments with a curved position-sensitive detector are provided.
Synopsis: A model is introduced to evaluate the scattering of randomly distributed micro-voids which are aligned along a given direction and show a log-normal size distribution.
Synopsis: Parametric Rietveld refinement is extended to variable-pressure powder diffraction data. Different approaches to parameterization are described and compared.
Synopsis: The structure of multilayered thin films - composed of layers of spherical PbTe nanocrystals embedded in an SiO2 matrix - is studied by grazing-incidence small-angle X-ray scattering.
Synopsis: This paper shows how the power of graphics processing units can be exploited to compute the powder diffraction pattern of nano-sized objects.
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