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 25 November 2020

one-dimensional ledge and migration mechanism of incoherent interphase boundaries

The existence of one-dimensional ledges on the incoherent interphase boundaries was verified. Ihe interphase boundaries with one-dimensional ledges migrate based on the nucleation and extension of one-dimensional ledge, while the interphase boundaries without one-dimensional ledges migrate based on a continuous mechanism.

Accepted 23 November 2020

Implementation of a Self-Consistent Slab Model of Bilayer Structure in the SasView Suite

We demonstrate an implementation of a self-consistent slab model for small angle scattering data interpretation of bilayer structures within the SasView software suite, demonstrating its application to the example of a lipid bilayer.

Accepted 19 November 2020

Identification of grown-in dislocations in protein crystals by digital X-ray topography

Abstract The grown-in dislocations in protein single crystals are characterized by using reconstructed topographic images taken by digital X-ray topography.

Accepted 17 November 2020

X-ray Diffraction by Surface Acoustic Wave

X-ray diffraction on acoustically modulated crystals under the total external reflection conditions and Bragg diffraction conditions is investigated. The dependence of diffraction process on X-ray energy is shown.

Accepted 9 November 2020

Energy dispersive X-ray micro Laue diffraction on a bent gold nanowire

This article reports on energy dispersive micro Laue (μLaue) diffraction of an individual gold nanowire that was mechanically deformed in three-point bending geometry using an atomic force microscope (AFM). The nanowire deformation was investigated by scanning the focused polychromatic X-ray beam along the nanowire and recording μLaue diffraction patterns using an energy-sensitive pnCCD detector that permits measurement of the angular positions of the Laue spots and the energies of the diffracted X-rays simultaneously.

Accepted 9 November 2020

In situ energy-dispersive X-ray diffraction of local phase dynamics during solvothermal growth of Cu4O3

In situ energy-dispersive X-ray diffraction was used to track the local formation and conversion of copper oxide phases during solvothermal synthesis. Multi-valence Cu4O3 was found to be resistant to chemical conversion once solvothermally precipitated.

Accepted 9 November 2020

Constrained geometrical analysis of complete K-line patterns for calibrationless auto-indexing

A method for geometrical analysis of Kossel and Kikuchi line patterns is presented that is suitable for determination of the unknown lattice, its orientation and indices of the lines simultaneously with extraction of the precise experimental geometry.

Accepted 7 November 2020

Strain relaxation in InGaN/GaN epilayers by formation of V-pit defects studied by SEM, XRD and numerical simulations

V-pit defects in InGaN/GaN were studied by numerical simulations of the strain field and X-ray diffraction (XRD) reciprocal space maps. The results were compared with XRD and scanning electron microscopy (SEM) experimental data. Creation of the V-pits appears to be a sufficient mechanism for strain relaxation in InGaN/GaN epilayers.

Accepted 7 November 2020

μDrop – a system for high-throughput SAXS measurements of microlitre samples

A new automatic sample changer based around a novel sample holder is presented for handling microlitre-sized sample drops.

Accepted 7 November 2020

Controlled sample environment for studying solid–gas interactions by in situ powder X-ray diffraction

This work demonstrates a sample environment suitable for studying solid–gas interactions by temperature control through thermal contact with a sample in a glass capillary, for temperature and pressure conditions of 0–100 bar [1 bar = 100 kPa] and −30 to 200°C.

Accepted 6 November 2020

Understanding near-surface polymer dynamics by a combination of grazing-incidence neutron scattering and virtual experiments

Accepted 6 November 2020

High-pressure small-angle X-ray scattering (SAXS) cell for biological solutions and soft materials

The paper describes the implementation of a user-friendly high-pressure small-angle X-ray scattering cell suitable for biological solutions and soft materials.

Accepted 5 November 2020

Optimizing laboratory X-ray diffraction contrast tomography for grain structure characterization of pure iron

A parameter study of laboratory X-ray diffraction contrast tomography (LabDCT) has been performed to clarify the effects of various experimental parameters on the 3D reconstruction of the grain structure. Recommendations for optimizing LabDCT experiments are given.

Accepted 4 November 2020

`Pink'-beam X-ray powder diffraction profile and its use in Rietveld refinement

The powder diffraction peak shape for a pink X-ray beam is described and applied to Rietveld refinement.

Accepted 31 October 2020

Nondestructive residual stress depth profile analysis at the inner surface of small boreholes using energy-dispersive diffraction under laboratory conditions

Energy-dispersive diffraction is used for the nondestructive analysis of the hoop stress depth distribution at the inner surface of narrow boreholes. The results are corrected for the rotation effect, which is shown to have a significant influence on the measurements.

Accepted 20 October 2020

Concepts for nondestructive and depth-resolved X-ray residual stress analysis in the near-surface region of nearly single crystalline materials with mosaic structure

Two data evaluation concepts are proposed for nondestructive and depth-resolved X-ray residual stress analysis by means of energy-dispersive diffraction on materials featuring cubic symmetry and a nearly single crystalline structure.

Accepted 19 October 2020

The XBI BioLab for life science experiments at the European XFEL

An overview of a unique life science facility at the European XFEL is provided, and its importance in sample preparation, characterization and analysis prior to measurements at the different European XFEL instruments is discussed. The capabilities that the facility can provide for the research community are highlighted, alongside examples of recent successful studies.

Accepted 6 October 2020

ATSAS 3.0: expanded functionality and new tools for small-angle scattering data analysis

ATSAS is a comprehensive software suite for the processing, visualization, analysis and modelling of small-angle scattering data. This article describes developments in the ATSAS 3.0 release, including new programs for data simulation, and for the structural modelling of lipids, nucleic acids and polydisperse systems.

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