forthcoming articles

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.

Accepted 8 March 2024

iQual: a new computer program for qualitative phase analysis with efficient search–match capability

iQual is a computer program that utilizes the optimized Crystal_db database, derived from the Crystallography Open Database, for efficient searching and matching of experimental X-ray diffraction patterns for qualitative phase analysis, employing a two-step approach and matrix operations for enhanced efficiency.

Accepted 7 March 2024

Applications of the Clifford torus to material textures

A new 2D representation of 3D material textures based on the Clifford torus is presented.

Accepted 7 March 2024

Upgrade of crystallography beamline BL19U1 at the Shanghai Synchrotron Radiation Facility

The protein complex crystallography beamline BL19U1 is preparing for the establishment of an automated drug screening platform by upgrading both hardware and data collection control systems to optimize efficiency. The upgrade of the experimental station devices and data collection control system on the BL19U1 beamline are reported in this paper.

Accepted 5 March 2024

Design and fabrication of 3D-printed in situ crystallization plates for probing microcrystals in an external electric field

A 3D-printed in situ crystallization plate is presented, which can be used to probe protein microcrystals in an external electric field.

Accepted 3 March 2024

Energy storage properties influenced by relaxor ferroelectric properties dependent on the growth direction of epitaxial Bi2SiO5 thin films

Bi2SiO5 thin films on Nb-doped (111), (110) and (111) SrTiO3 substrates exhibit ferroelectric and energy storage characteristics influenced by various crystallinities.

Accepted 3 March 2024

Neural network analysis of neutron and X-ray reflectivity data incorporating prior knowledge


Accepted 1 March 2024

Structural and electronic properties of Mo-decorated graphene, reduced graphene and reduced graphene oxide: a DFT calculation

The possible energies of different active adsorption sites of nanostructured Mo-doped symmetric reduced graphene (rG), Mo-decorated graphene, asymmetric reduced graphene and reduced graphene oxide (rGO) have been calculated using density functional theory. Covalent interactions between Mo and rG/rGO structures resulted in adsorption bonding, enhancing electrical conductivity and making them ideal for eliminating pollutants.

Accepted 29 February 2024

A correction procedure for secondary scattering contributions from windows in small-angle X-ray scattering and ultra-small-angle X-ray scattering

The high scattering power of a sample at low angles may lead to significant secondary scattering contributions in the measured small- and ultra-small-angle X-ray scattering patterns. A correction procedure is presented for the removal of the excess intensity and to improve the dynamic range of the measurement.

Accepted 27 February 2024

A new experimental station for microbeam X-ray scattering at the SSRF BL10U1 beamline

This work describes the newly constructed time-resolved microbeam small-angle X-ray scattering experimental station at the BL10U1 beamline at the Shanghai Synchrotron Radiation Facility.

Accepted 25 February 2024

Laue microdiffraction on polycrystalline samples above 1500 K achieved with the QMAX-µLaue furnace

A unique X-ray Laue microdiffraction setup and alignment procedure allowing measurements of microstructure and strain field in polycrystalline specimens at temperatures as high as 1500 K has been developed at beamline BM32, ESRF, making use of a new version of the QMAX furnace.

Accepted 22 February 2024

Measurements of the geometrical characteristics and refractive index of specimens made with X-ray interferometers

Using an X-ray triple Laue interferometer, the radius and the refractive index of specimens having plano-concave form are determined.

Accepted 21 February 2024

SEB: a computational tool for symbolic derivation of the small-angle scattering from complex composite structures

Scattering Equation Builder (SEB) is a C++ library for symbolically deriving form factors for composite structures built by linking sub-units to each other.

Accepted 21 February 2024

X-ray standing wave characterization of the strong metal–support interaction in Co/TiOx model catalysts

Using X-ray standing waves on a thermally stable periodic multilayer evidences the partial coverage of Co nanoparticles by a titanium oxide support in a model catalyst, following high-temperature reduction. The developed approach has potential for fundamental studies in thermally activated surface processes in catalysis, membranes and metallurgy.


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