forthcoming articles

The following articles are a selection of those recently accepted for publication in Journal of Applied Crystallography.

See also Forthcoming articles in all IUCr journals.

Accepted 10 February 2021

2D real space visualization of d-values in polycrystalline bulk materials of different hardness

A new imaging method visualizing differences of d-values in the same sample has been applied to the bulk steel materials. Some crystal grains are visible, and the strains caused by the Vickers mark are also quantitatively visualized.

Accepted 8 February 2021

The effect of polydispersity, shape fluctuations and curvature on small unilamellar vesicle small-angle X-ray scattering curves

It is a challenge to distinguish the effect of shape fluctuations and size polydispersity on experimental SAXS scattering curves of SUVs. Here it is shown that both effects have distinguishable spectral patterns, and an efficient simulation tool is presented for simulating and analysing experimental data. The importance of curvature-induced electron-density profile asymmetry for estimating the vesicle size from SAXS scattering curves is also demonstrated.

Accepted 7 February 2021

Automated reconstruction of parent austenite phase based on optimum orientation relationship

This work introduces a new approach aiming to improve the current state-of-the-art in prior austenite phase reconstruction in steels.

Accepted 6 February 2021

ipyChord: a package for evaluating small-angle X-ray scattering data of fiber symmetry

This work presents an open-source Python-based module for calculating the chord distribution function from the small-angle X-ray scattering pattern of polymer materials with fiber symmetry.

Accepted 2 February 2021

Crystal orientation and detector distance effects on resolving pseudosymmetry by electron backscatter diffraction

The effects of crystal orientation and detector distance on the ability to resolve pseudosymmetry using new intensity-based indexing methods of electron backscatter diffraction are studied. These results quantitatively demonstrate that certain orientations are significantly easier to correctly index and illustrate the clear benefit of shorter detector distances.

Accepted 31 January 2021

Small-angle neutron scattering measurements of mixtures of hydrogenous and deuterated n-tetra­decane

Small-angle neutron scattering (SANS) of mixtures of hydrogenous and deuterated n-tetradecane, a typical linear n-alkane, can be used to determine the molecular structure of the molecules, in the same way as mixtures of isotopically labeled polymers.

Accepted 30 January 2021

In situ X-ray diffraction investigation of electric-field-induced switching in a hybrid improper ferroelectric

This article reports the first in situ diffraction result collected under applied electric field on a hybrid improper ferroelectric which shows a subtle yet robust preference for a switching mechanism that proceeds via an unwinding of the octahedral rotation mode.

Accepted 29 January 2021

Mitigating background caused by extraneous scattering in small-angle neutron scattering instrument design

Measurements and methods of mitigation for small-angle neutron scattering instrument background caused by extraneous scattering from surfaces are presented.

Accepted 25 January 2021

Tomographic X-ray scattering based on invariant reconstruction – analysis of the 3D nanostructure of bovine bone


Accepted 23 January 2021

Removal of spurious data in Bragg coherent diffraction imaging: an algorithm for automated data preprocessing

An algorithm for automated identification and removal of spurious data from Bragg coherent diffraction imaging data is presented. This algorithm provides a drastic improvement in the efficiency of data processing by replacing the slow process of manually identifying and deleting spurious data.

Accepted 20 January 2021

MATSAS: a small-angle scattering computing tool for porous systems

MATSAS analyses X-ray and neutron small-angle scattering data obtained from porous systems. MATSAS delivers a full suite of pore characterizations, including specific surface area, porosity, pore size distribution and fractal dimensions.

Accepted 17 January 2021

Line profile analysis of synchrotron X-ray diffraction data of iron powder with bimodal microstructural profile parameters

Synchrotron X-ray diffraction data of Fe powder have been shown to have a super-Lorentzian peak shape with anisotropic peak broadening. Detailed microstructural (unimodal and bimodal) analyses were carried out using the Rietveld method, modified Williamson–Hall plot and whole powder pattern modelling to investigate these features of the diffraction pattern. It is shown that the bimodal analysis approach gives improved profile fitting, with two components of the microstructure having different dislocation densities and a broad lognormal crystalline domain size distribution.

Accepted 11 January 2021

DATAD: a Python-based X-ray diffraction simulation code for arbitrary texture and arbitrary deformation

DATAD, a Python-based X-ray diffraction simulation code, has been developed for simulating one- and two-dimensional diffraction patterns of a polycrystalline specimen with an arbitrary texture under an arbitrary deformation state and an arbitrary detection geometry

Accepted 9 January 2021

Development of spin-contrast-variation neutron powder diffractometry for extracting the structure factor of hydrogen atoms

A spin-contrast-variation neutron powder diffractometry technique is developed, where the coherent scattering length of hydrogen is controlled by proton polarization. This technique extracts the hydrogen structure factor, i.e. the contribution of hydrogen atoms to a crystal's structure factor.

Accepted 5 January 2021

Evolution of the analytical scattering model of live Escherichia coli

Structural and compositional information about Escherichia coli cells is summarized and translated into an analytical multi-length-scale scattering form factor model of live bacterial suspensions.


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