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 November 2022

Experimental setup for high-resolution characterization of crystal optics for coherent X-ray beam applications

Accepted 14 November 2022

X-ray stress analysis with a 2D detector. Part 2. Goniometer alignment

The formalism developed in Part 1 [François (2023). J. Appl. Cryst. 56, xxx–xxx. [NB5339].] is used to write general equations of the goniometer misalignments with analytical expressions easy to handle. It is shown how the values of the misalignment defects can be obtained from measurements on a stress-free (e.g. powder) specimen.

Accepted 13 November 2022

Aspherical atom refinements on X-ray data of diverse structures including disorder and COF systems: a time–accuracy trade-off

It is now possible to integrate the transferable aspherical atom model (TAAM) with NoSpherA2 and perform the refinement on X-ray diffraction data of disordered, twinned, co-crystal, COF [covalent organic frameworks] and metal–salt structures in a quick[short period of] time. A new hybrid refinement allowing a combination of independent atom model, Hirshfeld atom refinement and TAAM in one structure refinement is introduced to benefit from the advantages of each method.

Accepted 12 November 2022

Spatz: the time-of-flight neutron reflectometer with vertical sample geometry at the OPAL research reactor

The performance of the Spatz neutron reflectometer is demonstrated. It has a variable wavelength resolution to suit experimental needs for reflectometry at air–solid and solid–liquid interfaces.

Accepted 11 November 2022

Combining reverse Monte Carlo analysis of X-ray scattering and extended X-ray absorption fine structure spectra of very small nanoparticles

Computing scattering intensity using the Debye scattering equation after binning interatomic distances avoids finite size artefacts and is efficient enough for simultaneous refinement of scattering data and extended X-ray absorption spectra by reverse Monte Carlo simulations.

Accepted 10 November 2022

A phase retrieval framework based on the multigrid method to alleviate the twin-image problem

A methodological framework for iterative projection algorithms called the half-cycle multigrid alleviates the twin-image problem in phase retrieval for coherent diffraction imaging using the multigrid method.

Accepted 10 November 2022

Small-angle neutron scattering of long-wavelength magnetic modulations in reduced sample dimensions

Accepted 8 November 2022

A method for pole figure measurements via a dynamic segmented spiral scheme

A new method for pole figure measurement is described, entitled a dynamic segmented spiral scheme. This scheme provides a promising alternative to conventional methods of simultaneous texture and phase fraction measurement.

Accepted 7 November 2022

Kinematic scattering by nanocrystals

This work compares various formulations which describe diffraction from ultra-thin single-crystal films and shows that, for this thickness range, several implicit assumptions in these formulations are no longer satisfied. This bears important consequences for the analysis of diffraction patterns from nanocrystals. ***THIS PAPER IS NOW READY FOR 3B2 - ADEPT EDITED, ARTWORK DONE]***

Accepted 1 November 2022

Pressure cells for in situ neutron total scattering: time and real-space resolution during deuterium absorption

In situ gas-loading sample holders for two-dimensionally arranged detectors in time-of-flight neutron total scattering experiments have been developed for the structural analysis of the deuterium absorption process using time and real-space resolution.

Accepted 24 October 2022

Multiscale magnetization in cobalt-doped ferrite nanocubes

A set of cuboidal cobalt ferrite nanoparticles with exceptionally high crystallinity is presented, expressed by homogeneous magnetization with negligible surface-near spin disorder as observed by magnetic small-angle neutron scattering.

Accepted 23 October 2022

Reconstruction algorithms for grain mapping by laboratory X-ray diffraction contrast tomography

Grain reconstruction methods based on both forward and back calculations have been developed for laboratory-based diffraction contrast tomography. These methods are computationally efficient and can give good orientation and spatial accuracies, and the code is open source.

Accepted 17 October 2022

Shape-induced superstructure formation in concentrated ferrofluids under applied magnetic fields

In-field small-angle neutron scattering reveals superstructure formation in a concentrated dispersion of spherical and cuboidal iron oxide nanoparticles.

Accepted 4 September 2022

OPUS: an easy way to push the limits of SANS instruments towards USANS

There is a rapidly growing trend in the application of ultra-small-angle neutron scattering (USANS) across many different fields of research, as a stand-alone technique and in combination with small-angle neutron scattering (SANS). Implementation of USANS capability on pin-hole SANS instruments was investigated using neutron ray-tracing simulations, and the design and optimization of the USANS optics are presented.

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