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 16 February 2025

Texture tomography with high angular resolution utilizing sparsity

This article reports non-destructive 3D texture mapping of a wide range of polycrystalline materials using synchrotron X-rays and utilizing the sparsity of the reconstructed texture.

Accepted 14 February 2025

A critical step toward far-field laboratory diffraction contrast tomography in Laue focusing geometry

A far-field laboratory diffraction contrast tomography (FF-LabDCT) technique is established and verified using conventional near-field LabDCT. Future directions to enhance FF-LabDCT as a versatile tool are outlined.

Accepted 13 February 2025

Chemical units of binary solid-solution alloys directly derived from short-range-order parameters

The present work provides a simple method to obtain the chemical unit of a solid-solution alloy directly using Cowley's short-range-order parameters α1 and α2.

Accepted 12 February 2025

If you cannot see it, is it still there?

Flexible segments of protein molecules, while known to be present in a structure, are often not visible in the electron density and are thus omitted in models. Ensemble refinement of completed models allows for visualization and exploration of the available conformation space of such `invisible' regions. Combined with the analysis of different crystal forms, insights into functional aspects of molecular plasticity can be inferred.

Accepted 11 February 2025

Probing the out-of-equilibrium dynamics of driven colloids by X-ray photon correlation spectroscopy

This article presents an application of X-ray photon correlation spectroscopy (XPCS) to probe the out-of-equilibrium dynamics in a driven colloidal system. XPCS enables the investigation of direction-dependent non-equilibrium dynamics and the gradual return of the suspension to equilibrium Brownian behaviour. The influence of such transient non-equilibrium dynamics needs to be taken into consideration when dynamic scattering methods are used for micrometre-range particle sizing.

Accepted 11 February 2025

In situ small-angle X-ray scattering measurement at the Very Small Angle Neutron Scattering Instrument at the China Spallation Neutron Source

A pioneering vertical-geometry small-angle X-ray scattering setup is available at beamline 14, Very Small Angle Neutron Scattering Instrument, at the China Spallation Neutron Source. Small-angle X-ray and neutron scattering can thus be performed at the same time.

Accepted 5 February 2025

SAStutorials.org – online tutorials on small-angle scattering data analysis

We present SAStutorials.org, a website that hosts online tutorials for small-angle scattering data analysis through active learning.

Accepted 3 February 2025

Accepted 2 February 2025

Computing virtual dark-field X-ray microscopy images of complex discrete dislocation structures from large-scale molecular dynamics simulations

A scalable forward model is developed to calculate virtual dark-field X-ray microscopy (DFXM) images of complex dislocation structures predicted by atomistic simulations, demonstrating the potential of DFXM to resolve features from dislocation multiplication and microstructural evolution.

Accepted 1 February 2025

Formalism to image the dynamics of coherent and incoherent phonons with dark-field X-ray microscopy using kinematic diffraction theory

Here, a formalism to relate dark-field X-ray microscopy images to quantitative measurements of coherent and incoherent phonon populations in bulk single crystals is described.

Accepted 31 January 2025

The use of effective core potentials in Hirshfeld atom refinement – making quantum crystallography faster in NoSpherA2


Accepted 23 January 2025

Fourier modal method for calculating neutron scattering from surface-relief and bulk diffraction gratings

Here, a rigorous solution to the problem of neutron wave interaction with a periodic potential structure by the Fourier modal method is presented.

Accepted 11 December 2024

A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal–organic frameworks

Microcrystal electron diffraction (microED) was used to determine the crystal structure of a recently synthesized metal–organic framework (MOF) from powder crystallites. The structural descriptions of two other MOFs by microED are compared with results previously published using X-ray powder diffraction supported by density functional theory calculations.


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