forthcoming articles in Journal of Applied Crystallography

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 24 July 2014

Mass-fractalic growth in niobia/ silsesquioxane mixtures: A SAXS study

R. Besselink and J. E. ten Elshof

Accepted 15 July 2014

High resolution synchrotron diffraction study of porous buffer InP(001) layers

A. A. Lomov, V. I. Punegov, D. Nohavica, M. A. Chuev, A. L. Vasiliev and D. V. Novikov

Synopsis: X-ray reciprocal space mapping was used for investigation porous InP layers. A new advanced statistical dynamical theory applied for numerical data evaluation provided quantitative values for the main structural parameters of porous layers.

Accepted 14 July 2014

Specular Neutron Reflection at the Mica Water Interface - Irreversible Adsorption of a Cationic Dichain Surfactant

K. L. Browning, L. R. Griffin, P. Gutfreund, R. D. Barker, L. A. Clifton, A. Hughes and S. M. Clarke

Synopsis: A novel experimental method to exploit specular neutron reflection from the surface of mica at the solid/liquid interface is reported. The approach involves supporting a thin mica crystal on a silicon substrate. The applicability of this technique for mica is demonstrated by adsorption of a dichain surfactant to form a complete, unhydrated bilayer at this interface and its partial removal by washing and ion exchange.

Accepted 8 July 2014

Crossing the boundary between fcc and hcp: the structure of nanosized cobalt is unraveled by a model allowing for shape, size distribution and stacking faults allowing simulation of XRD, XANES and EXAFS

A. Longo, L. Sciortino, F. Giannici and A. Martorana

Synopsis: 1ynopsis A structural model of nanosized cobalt is fitted to XRD data using the Debye equation. The model allows for shape, size distribution, atom pairs distance distribution and stacking faults. EXAFS and XANES spectra are calculated on the basis the fitted parameters.

Accepted 7 July 2014

Potential of full pattern fit methods for the texture analysis of geological materials: implications from texture measurements at the recently upgraded neutron time-of-flight diffractometer SKAT

R. Keppler, K. Ullemeyer, J. H. Behrmann and M. Stipp

Accepted 5 July 2014

The lipid cubic phase or in meso method for crystallizing proteins. Bushings for better manual dispensing

M. Caffrey, R. Eifert, D. Li and N. Howe

Synopsis: Table of Contents: Bushings that protect the plunger in a repeat dispenser device for more effective setting up of LCP crystallization trials are described.

Accepted 23 June 2014

A hybrid immune-evolutionary strategy algorithm for the analysis of the WAXS curves of semicrystalline polymers

M. Rabiej

Synopsis: This work present a hybrid immune-evolution strategy algorithm which is a combination of two methods of artificial intelligence: evolution strategies and immune algorithm with a classical method of Rosenbrock. The system can be successfully used for decomposition of the WAXD curves of semicrystalline polymers into crystalline peaks and amorphous halos. Decomposition is the most important step in calculation of the crystallinity of polymers. It was shown that the effectiveness and convergence of the elaborated system are better than the related parameters of a genetic algorithm.

Accepted 21 June 2014

X-ray absorption spectroscopy (XAS) studies on the carbothermal reduction reaction products of 3 mol% yttria stabilized zirconia

A. Sondhi, O. Okobiah, S. Chattopadhyay, T. Shibata, T. W. Scharf and R. F. Reidy

Synopsis: X-ray absorption spectroscopy (XAS) has been used to study the fine structure details of carbothermally reduced 3 mol% YSZ and understand the effect of sintering on various bond lengths in the starting powder and its sintered counterpart. Influence of ZrC formation on the YSZ matrix was determined with help of X-ray diffraction and XAS. Bond lengths were deduced from the EXAFS pattern of carbothermally reduced sample and compared with those of the pure standards.

Accepted 21 June 2014

Structural analysis of lignin-derived carbon composite anodes

N. W. McNutt, O. Rios, M. Feygenson, T. E. Proffen and D. J. Keffer

Synopsis: Lignin-based carbon composite anodes consisting of nanocrystalline and amorphous domains are studied to develop a relationship of structural properties such as crystallite size, intracrystallite d-spacing, crystalline volume fraction, and composite density with their pair distribution functions (PDF), as obtained from both molecular dynamics simulation and neutron scattering.

Accepted 21 June 2014

MolBridge: A program for identifying non-bonded interactions in small molecules and biomolecular structures

P. Kumar, S. Kailasam, S. Chakraborty and M. Bansal

Synopsis: A freely available program dedicated to the identification of non-bonded interactions in small molecules as well as biomolecules is introduced. The stand-alone version of the program is currently available for download. The web server can be accessed at

Accepted 19 June 2014

Rhombohedral distortion analysis of ultra-thin Pt(111) films deposited under Ar-N2 atmosphere

T. Harumoto, T. Sannomiya, S. Muraishi, J. Shi and Y. Nakamura

Synopsis: A rhombohedral analysis method for analysing the lattice distortion in a (111)-textured face-centred cubic film under rotationally symmetric stress is proposed and applied to ultra-thin Pt films deposited under argon-nitrogen atmosphere.

Accepted 18 June 2014

On the calibration of high-energy X-ray diffraction setups. II. Assessing the rotation axis and residual strains

A. Borbély, L. Renversade and P. Kenesei

Synopsis: The calibration of a high-energy diffractometer comprising a rotation axis and an area detector is assessed. An independent method for high-accuracy determination of the cell parameters of undeformed crystals is introduced.

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