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 9 December 2019

Improving GISAXS-CT images by total variation minimization

Accepted 6 December 2019

DFT predicted symmetry lowering from cubic to tetragonal in nickel hexa­cyano­ferrate

van der Waals corrected density-functional-theory computations predict a new tetragonal (P4m2) equilibrium crystal structure for nickel hexa­cyano­ferrate, a F43m-structured Prussian blue analogue (PBA).

Accepted 3 December 2019

Best Practices for Operando Depth-Resolving Battery Experiments Best Practices for Operando Depth-Resolving Battery Experiments

Abstract We identify experimental considerations to ensure quantitative depth-resolving operando X-ray scattering measurements in a radial transmission geometry. Abstract We identify experimental considerations to ensure quantitative depth-resolving operando X-ray scattering measurements in a radial transmission geometry.

Accepted 3 December 2019

The nondestructive measurement of strain distributions in air plasma sprayed thermal barrier coatings as a function of depth from entire Debye–Scherrer rings

A 2D method employing whole (or part) Debye–Scherrer rings has been used to obtain a more accurate and reliable strain-mapping result for high-density thermal barrier coatings. The method has other applications, but the use of very high energy synchrotron light makes the study of a highly anisotropic microstructure more tractable.

Accepted 2 December 2019

A routine for the determination of the microstructure of stacking-faulted nickel cobalt aluminium hydroxide precursors for lithium nickel cobalt aluminium oxide battery materials

Stacking faults and interstratification faults in a cobalt- and aluminium-bearing nickel layered double hydroxide used as a precursor for Li(Ni1−xyCoxAly)O2 battery materials were quantified by a combination of a grid-search approach and a recursive routine for generating and averaging supercells of stacking-faulted layered substances implemented in the TOPAS software.

Accepted 29 November 2019

Neutron Larmor diffraction on powder samples

Accepted 27 November 2019

Accuracy and precision of near-field high-energy diffraction microscopy forward-model-based microstructure reconstructions

A direct comparison is made between electron backscatter diffraction and near-field high-energy diffraction microscopy measurements. A small gold oligocrystal is characterized, and reconstructed orientations and grain-boundary positions are evaluated.

Accepted 24 November 2019

Tuning the optical isotropic point of mixed crystals of ethylenedi­ammonium sulfate/selenate

The isotropic point of a uniaxial bianisotropic mixed crystal is shifted by controlling the concentration of an anion impurity in a solid-solution series. A tunable set of iso-index bandpass filters is proposed.

Accepted 15 November 2019

Real- and Q-space travelling: multi-dimensional distribution maps of strain (∊044) and crystal-lattice tilt of suspended monolithic silicon nanowire structures

A multiscale analytical approach is presented for understanding the structure of micro- and nano-fabricated nanowire-based sensors. Using scanning X-ray diffraction microscopy, crystal deformation is evaluated with respect to lattice strain and tilt caused by the manufacturing process of a silicon monolith.

Accepted 12 November 2019

NMR Multiplet Interpretation: an Infographic Walk-through

Book review.

Accepted 8 November 2019

IPCAS: a direct-method-based pipeline from phasing to model building and refinement for macromolecular structure determination

The pipeline IPCAS (Iterative Protein Crystal structure Automatic Solution) integrates the direct-method program OASIS and other protein crystallography programs for experimental phasing and model building, with emphasis on direct-method single-wavelength anomalous diffraction/single isomorphous replacement phasing and direct-method-aided partial-structure extension.

Accepted 31 October 2019

Visualization of texture components using MTEX

Knowledge of the appearance of texture components and fibres in pole figures, in inverse pole figures and in Euler space is fundamental for texture analysis.

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