forthcoming articles

Structure factors of randomly packed disks in 2D equivalent to parallel cylinders are given as a function of the area fraction. This structure factor can be used to interpret scattering features from densely packed fibrous systems.

Here, we determine optimal weights and priors when simultaneously fitting small-angle X-ray and neutron scattering data.

The introduction of 3-hy­droxy­hexano­ate (3HH) to the eco-friendly polymer poly[(R)-3-hy­droxy­butyrate] [P(3HB)] was found to reduce both the density fluctuations on the submicrometre scale and the stability of the crystals using in situ X-ray scattering, resulting in a reduction of the brittleness.

A web-based labeling pipeline is introduced that accelerates the annotation of large scientific data sets with artificial intelligence (AI) guided tagging techniques.

The deep learning method is used to achieve space-group prediction consistent with extinction laws. The trained model presents a much stronger generalization capability than previously reported models.

This study investigated how comonomer species and content affect strain-induced density fluctuations in linear low-density polyethyl­ene. It was found that increased spatial homogeneity before stretching, influenced by the type and amount of comonomer, suppressed the strength of density fluctuation induction during strain.

The program 3DSOC provides a new way of extracting single-crystal substructure information from monochromatic neutron diffractometer data.

This work explores the effect of the pseudo-herringbone molecular packing on the structural reorganization in collapsed Langmuir monolayers.

The novel linearization routines within the parameter space concept (PSC) provide an alternative approach to determine one-dimensionally projected crystal structures from rather few diffraction intensities of standard Bragg reflections, represented by piecewise analytic hyper-surfaces, without the use of Fourier inversion. By the intersection of linearized isosurface segments of multiple reflections, the PSC accurately pinpoints the atomic coordinates and explores both homometric and quasi-homometric solutions in a single analysis.

This study introduces an innovative software package that automates fiber pattern indexing leveraging the power of genetic algorithms.

The synthesis and quantum crystallographic analysis of the chemical bonding within WYLID, 2-(di­methyl-λ⁴-sulfane­ylidene)-[1,2′-bi­indenyl­idene]-1′,3,3′(2H)-trione, a condensation product of YLID which is the most widely used calibrant for laboratory diffractometers, is presented. An ylid-type description of the S—C bond and a carbonyl-type description of the C—O bonds in WYLID is found in all aspects of the analysis.