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 7 November 2024

Residual stress depth profiling based on a triaxial stress model: the principal stress gradients in magnetron-sputtered molybdenum films

A depth-dependent investigation of the principal stress gradients in a sputtered coating is described, applying asymmetric diffraction and different data evaluation routines.

Accepted 2 November 2024

Intensity corrections for grazing-incidence X-ray diffraction of thin films using static area detectors

Intensity correction factors for grazing-incidence X-ray diffraction are derived theoretically and applied to experimental data from thin-film samples with different textures. The provided corrections promise improved quality of crystal structure solutions from thin films and allow quantitative texture and phase analysis.

Accepted 1 November 2024

High-accuracy high-resolution measurements of fluorescence in manganese using extended-range high-energy-resolution fluorescence detection

By applying the new technique of extended-range high-energy-resolution fluorescence detection (XR-HERFD), developed from high-resolution resonant inelastic X-ray scattering and HERFD, the analysis of data from all three techniques is explained to discover new physical processes in matter, with solid manganese as an example.

Accepted 1 November 2024

Effect of thickness and noise on angular correlation analysis from scanning electron nanobeam diffraction of disordered carbon

The impact of sample thickness and experimental noise on angular correlation analysis from scanning electron nanobeam diffraction patterns of disordered carbon are investigated and analyzed regarding the interpretability of the analysis results.

Accepted 30 October 2024

Specific radiation damage to halogenated inhibitors and ligands in protein–ligand crystal structures

This article reports an investigation into the effects of specific radiation damage to halogenated ligands in crystal structures of protein–inhibitor complexes.

Accepted 24 October 2024

GRASP Integrated 3D Plotter: GRIP

This article describes the implementation of GRIP as a module of GRASP, enabling the fully three-dimensional visualization and analysis of data collected on small-angle neutron scattering instruments.

Accepted 23 October 2024

Multimodal reconstruction of TbCo thin-film structure with Bayesian analysis of polarized neutron reflectivity

For the first time, a multimodal reconstruction of a magnetic thin-film structure has been found using polarised neutron reflectivity. This has been achieved by implementing the Bayesian approach in combination with error correction based on the maximum likelihood method and instrument function optimization.

Accepted 19 October 2024

Optimal operation guidelines for direct recovery of high-purity precursor from spent lithium-ion batteries: hybrid operation model of population balance equation and data-driven classifier

This study proposes an operation optimization framework for impurity-free recycling of spent lithium-ion batteries. Using a hybrid population balance equation integrated with a data-driven condition classifier, the study firstly identifies the optimal batch and semi-batch operation conditions that significantly reduce the operation time with 100% purity of product; detailed guidelines are given for industrial applications.

Accepted 18 October 2024

RAPID, an ImageJ macro for indexing electron diffraction zone axis spot patterns of cubic materials

RAPID is an ImageJ macro script developed for the quick determination of sample orientation and indexing of calibrated and uncalibrated zone axis aligned electron diffraction patterns from materials with a cubic crystal structure.

Accepted 14 October 2024

Characterization and calibration of DECTRIS PILATUS3 X CdTe 2M high-Z hybrid pixel detector for high-precision powder diffraction measurements

The performance of a high-Z photon-counting detector for powder diffraction measurements at high (>50 keV) energies is characterized, and the appropriate corrections are described in order to obtain data of higher quality than have previously been obtained from 2D detectors in these energy ranges.


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