forthcoming articles

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.

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.

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.

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.

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.

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.

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]***

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.

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.

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.

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

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.