forthcoming articles

A rigorous integral X-ray diffuse scattering (XRDS) method is presented for experimentally determining separate size distributions for interstitial and vacancy-type dislocation loops in irradiated single-crystalline materials. This new capability is facilitated by a numerical formulation for directly evaluating the integral XRDS intensities associated with individual defect clusters, and the technique is demonstrated by analyzing measurements of ion-irradiated tungsten that show distinct size distributions for the two loop types.

Segmental deuteration, combined with inverse contrast-matching SANS and SAXS, provides structural constraints that improve discrimination of conformation ensembles of multi-domain protein.

With the recent gain in popularity of grazing-incidence instruments, harmonization is needed to establish intercomparability. This large review of existing instruments and methods highlights the diversity of approaches in the community, and is a first step towards reference methods.

In situ small-angle X-ray scattering (SAXS) and powder X-ray diffraction (XRD) studies, combined with density functional theory (DFT), are used to gain new insights into the variable structure and ordering of a 1-D coordination polymer under different gas pressure conditions. It is demonstrated how DFT calculations can elucidate SAXS and XRD studies of variable or uncertain structures when unambiguous single-crystal XRD determinations cannot be fully realized.

The mmCIF Validator provides real-time, automated validation of mmCIF files against a valid PDBx/mmCIF dictionary, available as both a Visual Studio Code extension and a standalone Python script for integration into automated workflows.

We demonstrate a Fisher information-based strategy for optimising the solid substrate structure in polarised neutron reflectometry experiments on soft-matter samples. The approach identifies magnetic reference layer designs that improve experimentally accessible information and provides a general framework for more efficient reflectometry experiment planning.

Temperature-dependent single-crystal X-ray, powder X-ray and neutron diffraction measurements reveal the thermal expansion behavior of FeWO₄ from 2 to 1123 K. Significant differences between natural ferberite and a FeWO₄:Fe₂WO₆ composite highlight the influence of multiphase and microstructural effects on derived thermoelastic parameters.

XRD-Rust is a Rust-accelerated reimplementation of the computational core of the pymatgen powder X-ray diffraction calculator that preserves full Python workflow compatibility while significantly improving performance for large-scale simulations. Benchmarks on large crystallographic databases show average speedups of 4–6× and peak gains of up to 719×, enabling efficient high-throughput dataset generation and faster interactive diffraction analysis.

Molecular crystal diffraction with a highly focused X-ray beam decouples crystal morphology and molecular structure by measuring magnified topographs from every reflection.

A quantitative comparison between pink-beam and monochromatic dark-field X-ray microscopy (DFXM) shows that pink-beam DFXM offers up to two orders of magnitude higher flux and improved signal-to-noise ratio for time-resolved imaging, at the expense of an approximately tenfold loss in angular resolution. The results establish performance criteria and experimental strategies for optimizing pink-beam DFXM in studies of microstructure and strain evolution in crystalline materials.

The temperature evolution of the high-harmonic incommensurate magnetic ordering of Dy³⁺ in DyFeO₃ orthoferrite is compared with the literature results on the soliton lattice of TbFeO₃ observed in an external magnetic field.

A new example for coherent multiple scattering is presented that confirms the Teubner–Strey model with its surface scattering for porous materials.

Bonse–Hart USANS measurements are often limited by counting statistics. By taking advantage of the smooth variation of I(Q) with Q, we show that Gaussian-process-based inference can recover the main structural features of the scattering profile from lower-count data and can identify when further counting no longer improves precision because instrument discretization becomes limiting.

Structural and magnetic ordering in a ferrofluid consisting of hard magnetic SrFe₁₂O₁₉ nanoplatelets is studied by polarized small-angle neutron scattering in magnetic fields up to 1000 Oe. The results reveal consecutive and reversible transitions of the isotropically disordered phase existing at H < 20 Oe into a 1D-nematic columnar structure at 20 < H < 250 Oe, followed by rearrangement to smectic-like lateral ordering with collinear magnetization in neighboring columns above H = 250 Oe.

We present a model-independent approach based on the Shannon sampling theorem to retrieve key structural parameters of proteins and core–shell micelles directly from small-angle X-ray scattering (SAXS) profiles. By bypassing the pair distribution function, the method overcomes q-truncation artifacts and provides reliable mass, size and aggregation number estimates even from noisy laboratory data. This formalism enables fast, robust and high-throughput analysis for both in situ and operando experiments.

This study emphasizes the physical interpretation of Stephens' phenomenological parameters with respect to the nature of dislocations in cubic symmetry, validated through illustrative examples based on modified Williamson–Hall plot analysis.