Comparison of time-of-flight and MIEZE neutron spectroscopy of H₂O

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

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.

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 that of bulk ZnO. This enhanced strength increases energy-harvesting potential and reveals unexpected plasticity with dislocation storage in the basal plane.

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 C_k-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.

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

We present the first combined analysis of X-ray dark-field signals and small-angle X-ray scattering curves from several samples representing different sources of scattering.

Desmearing small-angle scattering data by central moment expansions of instrument resolution

A strategy based on the central moment expansion approach is proposed for addressing the resolution discrepancy inherent in cross-sectional measurements obtained via small-angle scattering experiments.

Two metrics for qu­antifying systematic errors in diffraction experiments: systematic errors in the variance of the observed intensities and agreement factor gap

The weighted agreement factor in small-molecule crystallography is, for half of a sample (N = 314) of published data sets, so large that it cannot be explained by errors like unrecognized disorder or twinning. Instead, the standard uncertainties are most likely flawed in these cases.

Structure refinement and anisotropic atomic displacement parameters of 1M Illite: Rietveld and pair distribution function analysis using synchrotron X-ray radiation

Combined synchrotron X-ray diffraction and pair distribution function analyses have been used to determine, for the first time, the anisotropic atomic displacement parameters of illite, offering new insights into its atomic dynamics.

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.