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 11 May 2021

X-ray rocking curve imaging on large arrays of extremely tall SiGe microcrystals epitaxial on Si

The rocking curve imaging technique was realized by a two dimensional X-ray detector and laboratory sealed X-ray tube in order to map the local crystal lattice bending inside arrays of extremely tall epitaxial SiGe microcrystals grown on patterned Si substrates. The domains formed by cracks were imaged in highly asymmetric diffraction setup.

Accepted 19 April 2021

Analyses of hierarchical structures in vulcanized SBR rubber by using contrast variation USANS and SANS

Abstract Contrast variation USANS of vulcanized SBR rubber has clarified that ZnO clusters surrounded by dense networks of SBR exist in the rubber. The size of the ZnO clusters is in the order of 1000 Å.

Accepted 18 April 2021

A Capillary-based Microfluidic Device Enables Primary High-throughput Room Temperature Crystallographic Screening A Capillary-based Microfluidic Device Enables Primary High-throughput Room Temperature Crystallographic Screening

Here we report a novel capillary-based microfluidic strategy to accelerate the small-molecule compound screening processes by room temperature X-ray crystallography using protein crystals.

Accepted 16 April 2021

Multipurpose diffractometer for in situ X-ray crystallography of functional materials

The multi-purpose four-circle diffractometer in Tel Aviv University is described. The design, the beam quality (flux/divergence), the application of the diffractometer for various tasks for in situ X-ray crystallography of functional materials are demonstrated.

Accepted 11 April 2021

A novel method to obtain integral parameters of the orientation distribution function of textured polycrystals from wavelength-resolved neutron transmission spectra

The position and shape of Bragg edges in wavelength-resolved neutron transmission spectra depend on the crystal structure and on the crystallographic texture of the material. This work describes a novel method to obtain integral parameters of the orientation distribution function from these spectra with the aim of estimating material properties.

Accepted 7 April 2021

The effect of data quality and model parameters on the qu­antitative phase analysis of X-ray diffraction data by the Rietveld method

The step size, angular range and intensity of X-ray powder diffraction data and the number and type of refinable parameters have been examined with respect to their effect on quantitative phase analysis by the Rietveld method.

Accepted 2 April 2021

Combined specular and off-specular reflectometry: elucidating the complex structure of soft buried interfaces

A combined specular and off-specular neutron reflectometry analysis algorithm on an absolute scale is presented. Experimental data from thermally annealed immiscible polymer bilayer systems are fitted.

Accepted 2 April 2021

Incommensurately modulated structure zone in α-Zr instigated by the drag force on a grain boundary

An incommensurately modulated structure zone in the α-Zr matrix of forged Zircaloy-4 alloy was investigated by transmission electron microscopy and related techniques.

Accepted 1 April 2021

Aerosol-based ligand soaking of reservoir-free protein crystals

A novel aerosol device for protein crystal complexation using ultrasonic vibrations is described.

Accepted 1 April 2021

X-ray scattering profiles: revealing the porosity gradient in porous silicon

A non-destructive X-ray laboratory method was developed to enable determination of the static Debye–Waller factor distribution along the z axis for porous layers, which further allows the quantification of the porosity gradient. Accordingly, grazing-incidence X-ray diffraction at different incidence angles was employed to obtain a wide range of X-ray penetration depths down to the interface of the porous layer with the substrate.

Accepted 25 March 2021

Infrared furnace for in situ neutron single-crystal diffraction studies in controlled gas atmospheres at high temperatures

Accepted 23 March 2021

ASAXS measurements on ferritin and apoferritin at the bioSAXS beamline P12 (PETRA III, DESY)

Anomalous small-angle X-ray scattering (ASAXS) allows one to obtain information about the spatial distribution of specific atoms in a sample, but its application to dilute biological samples is challenging because of weak anomalous effects. ASAXS experiments from dilute solutions of ferritin and cobalt-loaded apoferritin near the resonance X-ray K edges of Fe and Co, respectively, have been performed at the P12 bioSAXS beamline of the EMBL at PETRA III synchrotron, DESY.

Accepted 22 March 2021

Qu­antitative texture analysis using the NOMAD time-of-flight neutron diffractometer

The texture measurement capabilities of the NOMAD beamline at the Spallation Neutron Source and the NRSF2 beamline at the High Flux Isotope Reactor at Oak Ridge National Laboratory are discussed. Texture analyses using two common analysis methods, Rietveld texture analysis using the MAUD program and pole figure inversion using the MTEX MATLAB toolbox, are presented.

Accepted 18 March 2021

Investigation of precision, accuracy and confidence of X-ray diffraction for determining crystallite size in nanopowders

An investigation of the precision, accuracy and confidence of the whole pattern (WP) and Williamson–Hall (WH) methods of crystallite size determination has revealed insight into the long-standing debate on the quantitative capability of X-ray diffraction for estimating crystallite size. The WP method demonstrated precision, accuracy and confidence, allowing quantitative crystallite size determinations to be made. The WH method demonstrated precision in its crystallite size determination, but it also demonstrated a low-biased accuracy and a broad confidence from an ill-posed inverse problem.

Accepted 10 March 2021

Design and use of a sapphire single-crystal gas-pressure cell for in situ neutron powder diffraction

A gas-pressure cell for in situ neutron powder diffraction based on a sapphire single crystal is described including materials information, technical drawings and instructions for use.

Accepted 10 March 2021

Characterizing dislocation loops in irradiated polycrystalline Zr alloys by X-ray line profile analysis of powder diffraction patterns with satellites

Satellites generated by small dislocation loops in polycrystalline proton- or neutron-irradiated Zr alloys are characterized by X-ray line profile analysis. The convolutional multiple whole-profile procedure has been extended to characterize irradiation-induced satellites around fundamental Bragg peaks.

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