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.

The introduction of 3-hy­droxy­hexano­ate (3HH) to 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 crystals using in situ X-ray scattering, resulting in the reduction of brittleness.

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.

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

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.

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.