forthcoming articles

A combined modified Warren-Averbach and modified Williamson-Hall analysis of diffraction peaks obtained by energy scanning of Laue microdiffraction patterns is introduced. For the first time the method allows estimating the adequacy of the chosen dislocation model and it was applied to characterize the dislocation structure at the micrometer scale in a laser peened Ni polycrystal.

This work proposes a deep neural network solution to address the inefficiency challenge of the correlation function analysis method in the interpretation of SAXS data for phase-separated structures of polymers.

Laueprocess, a program for processing Laue diffraction data, is presented.

This work introduces an algorithm to extract quantitative orientation and phase information of thin films using grazing-incidence X-ray diffraction. The approach is demonstrated using experimental data from three distinct systems, showcasing its broad applicability.

Optical rotation parameters of potassium titanyl arsenate non-enantiomorphous biaxial crystals along the birefringence direction were investigated using an improved dual-wavelength polarimetric method.

Superstable micrometre compound jets have been produced for serial femtosecond X-ray crystallography.

Given its inherent ability in incorporating electron correlation and polarization effects and in providing consistent electron-density distributions, the X-ray restrained wavefunction (XRW) approach could be a potentially useful tool to propose new exchange–correlation (xc) functionals of density functional theory. Here, orbital-averaged XRW perturbation potentials of atoms (neon, argon and krypton) and simple molecules (dilithium and urea) are extracted and visualized for the first time, and their possible use in the development of new xc functionals is discussed.

The structures and stabilities of transthyretin tetramers and their complexes with tolcapone or tafamidis bound at the T4-site, in aqueous solutions without and with 8 M urea, are revealed using SEC-SWAXS and NMR.

We share personal experience in the fields of materials science and high-pressure research, discussing which parameters are important to control and document in order to make deposited powder diffraction data reusable, reproducible and replicable.

Peptide nanotubes have diverse structures, which can be elucidated by small-angle scattering. Here, we discuss in detail appropriate models for form- and structure-factor effects exemplified by analysis of data for several classes of peptide nanotubes.

This study introduces a quantitative framework for evaluating magnetic reference layers (MRLs) in polarized neutron reflectometry and demonstrates that CoTi alloys outperform conventional Fe- and Ni-based MRLs. The tunability of CoTi's nuclear and magnetic scattering length densities enables superior sensitivity, making it a highly effective choice for enhancing contrast and resolving phase ambiguity in soft-matter and thin-film research.

Hermite functions are used to represent pair distribution functions from total scattering data in order to allow the effects of resolution to be taken into account.

PRINSAS 2.0 is a graphical user interface Python-based program designed to fit the polydisperse spherical pore model to small-angle scattering (SAS) data of porous materials. It improves accessibility for users without extensive SAS analysis or programming experience, while being optimized for porous systems commonly found in geological samples. The fitting algorithm is validated on experimental and synthetic data sets to ensure broad applicability, and is benchmarked against other tools in the field for acquiring size distribution.

Using a machine learning method, this study enhances crystal structure analysis for a cross-sectional hydride vapor-phase epitaxy GaN wafer, revealing hidden features and aiding structural investigations, and outperforming the conventional method.

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 describe the experimental XRD profiles of two types of Aurivillius oxide thin films: SrBi₂(Ta,Nb)O₉ and Bi₄Ti₃O₁₂.