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 6 May 2025

Incorporating the direct derivation method and molecular scattering power method into the Rietveld qu­antitative phase analysis routine in TOPAS

Two recently reported quantitative phase analysis (QPA) methods—the direct derivation method (DDM) and the unit-cell scattering power method—have been further developed into the Ck-corrected DDM and the molecular scattering power method, respectively. These methods are compatible with the conventional Rietveld QPA routine, as demonstrated through quantification of disordered clay mineral phases using the TOPAS software.

Accepted 6 May 2025

A model for out-of-phase boundary induced XRD peak profile changes in Aurivillius oxide thin films

An analytical model is presented that successfully describes how out-of-phase boundaries in epitaxial thin films of layered materials affect X-ray diffraction (XRD) peak profiles. It is applied to describing the experimental XRD profiles of two types of Aurivillius oxide thin films: SrBi2(Ta,Nb)O9 and Bi4Ti3O12.

Accepted 5 May 2025

How X-ray dark-field imaging relates to small-angle X-ray scattering measurements

The first combined analysis is presented of X-ray dark-field signals and small-angle X-ray scattering curves from several samples producing different sources of scattering.

Accepted 5 May 2025

Pydidas: a tool for automated X-ray diffraction data analysis

Pydidas is a new Python package for processing X-ray diffraction data, offering a user-friendly interface and versatile processing options. It includes a graphical user interface for the entire data processing pipeline and is intended to be easily accessible for non-experts.

Accepted 23 April 2025

X-ray characterization of perovskite superlattices with the help of Monte Carlo modelling

A statistical model for complex oxide superlattices is introduced. The model can be applied in kinematical calculations of X-ray diffraction intensities for epitaxially grown samples.

Accepted 22 April 2025

Three-point bending behavior of individual ZnO nanowires studied by in situ Laue microdiffraction

The mechanical behavior of piezoelectric ZnO nanowires was studied, demonstrating a fracture strength of up to 3 GPa, significantly higher than bulk ZnO. This enhanced strength increases energy-harvesting potential and reveals unexpected plasticity with dislocation storage in the basal plane.

Accepted 22 April 2025

Comparison of time-of-flight and modulation of intensity with zero effort neutron spectroscopies of H2O

A comparison is reported of the modulation of intensity with zero effort (MIEZE), a neutron spin–echo (NSE) technique, and neutron time-of-flight (ToF) spectroscopy, a conventional neutron scattering method. The basis of this comparison is provided by measurements performed on pure water under the same measurement conditions.


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