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 8 August 2018

Probing the intrinsic and extrinsic origins of piezoelectricity in lead-zirconate titanate single crystal

We introduce a new X-ray diffraction-based experiment and data analysis technique for probing the origins of the piezoelectric effect in multi-domain ferroelectric / ferroelastic single crystals. The technique has been demonstrated for PbZr1-xTixO3 (x = 0.45).

Accepted 7 August 2018

Complete structural and strain analysis of single GaAs/(In,Ga)As/GaAs core-shell-shell nanowires by means of in-plane and out-of-plane X-ray nano-diffraction

We determine the complete structure of single GaAs/(In,Ga)As/GaAs core-shell-shell nanowire heterostructures in the as-grown geometry. This has been done probing in-plane Bragg reflections by means of X-ray nano-diffraction using synchrotron radiation and by NW modeling using finite element methods.

Accepted 6 August 2018

Time resolved X-ray absorption spectroscopy on Al-Cu alloys – From solute copper to stable precipitates

Time resolved X-ray absorption spectroscopy gives a powerful method to investigate the very early stages and precipitation sequence of the model system Al-Cu. Small changes in the local atomic structure of the probed element can be observed and verified by XAFS simulations (FDMNES) using ab-initio calculated (SIESTA) atomic coordinates as simulation input.

Accepted 2 August 2018

X-ray measurement of triaxial residual stress on machined surfaces by the cos α method using two-dimensional detector

The cos α method was applied to measure triaxial residual stresses of uni-directionally machined surfaces of a carbon steel made by grinding, milling, and planing. The recommended procedure for experimental measurements of in-plane normal and shear stresses, and out-of-plane shear stresses was proposed, together with a new method for determination of the out-of-plane normal stress.

Accepted 31 July 2018

Calibration of Rotation Axes for Multi-Axis Goniometers in Macromolecular Crystallography

An asy to perform rotation calibration (RC) procedure has been developed for miniKappa and/or other multi-axis goniometers used in macromolecular crystallography to enhance the precision of experiments coupled with crystal reorientations.

Accepted 26 July 2018

Glassy carbon, NIST Standard Reference Material (SRM 3600, 2017): hydrogen content, neutron vibrational density of states and heat capacity

Commercial glassy carbon plates (NIST SRM 3600 (2017)) being used as absolute intensity calibration standards in X-ray small-angle scattering applications are further characterized in terms of hydrogen content, vibrational density of states, and specific heat capacity.

Accepted 25 July 2018

Local distortion and octahedral tilting in BaCexTi1-xO3 perovskite

A new hypothesis for the ferroelectric relaxor behavior variation in BaTiO3 synthetic perovskite doped with Ce4+ is presented. The pair distribution function is used to explore the local structure and to propose a new local structural model consisting of oxygen octahedron tilting coupled with titanium displacements.

Accepted 23 July 2018

Operando powder X-ray diffraction study of P2-NaxNi0.3Mn0.7O2 cathode material during electrochemical cycling

Operando powder X-ray diffraction measurements on layered P2-NaxNi0.3Mn0.7O2 provide detailed insight into non-equilibrium structural changes in the cathode material during charge and discharge.

Accepted 23 July 2018

A fast X-ray-diffraction-based method for the determination of crystal size distributions (FXD-CSD)

A fast X-ray-diffraction-based procedure for measuring crystallite size distributions is presented. Unprecedented precision and accuracy is achieved with a data acquisition fast enough to permit in situ studies under non-ambient conditions.

Accepted 23 July 2018

Data-reduction procedure for correction of geometric factors in the analysis of specular X-ray reflectivity of small samples

A data-reduction procedure for the removal of the effect of geometric factors from the angle-dependent specular X-ray reflectivity profile of small samples is described.

Accepted 22 July 2018

Influence of crystal structure defects on the small-angle neutron scattering/diffraction patterns of clay-rich porous media

- This paper describes a combination of experimental and calculated small-angle neutron scattering/neutron diffraction profiles for the analysis of power law exponent evolution with different typical changes in structure and microstructure properties of swelling clay minerals.

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