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 14 September 2014

A novel neutron spin echo technique for measuring phonon linewidths using magnetic Wollaston prisms

F. Li and R. Pynn

Synopsis: A neutron spin echo spectrometer based on neutron magnetic Wollaston prism is introduced to measure the linewidth of dispersive phonon excitations over the entire Brillouin zone with [mu]eV resolution. By tuning the instrument electromagnetically, the linewidths of phonon excitations with high energy and large group velocity can be measured.

Accepted 9 September 2014

Synthesis, growth mechanism and physical properties of vapour deposited GaTe platelets

A. G. Kunjomana, M. Teena and K. A. Chandrasekharan

Accepted 2 September 2014

A customizable software for fast reduction and analysis of large X-ray scattering data sets: applications of the new DPDAK package to SAXS and GISAXS

G. Benecke, W. Wagermaier, C. Li, M. Schwartzkopf, G. Flucke, R. Hoerth, I. Zizak, M. Burghammer, E. Metwalli, P. Müller-Buschbaum, M. Trebbin, S. Förster, O. Paris, S. V. Roth and P. Fratzl

Synopsis: DPDAK is a software for simple and fast on- and offline reduction and analysis of x-ray scattering data. It is an open source software with a plug-in structure allowing tailored extensions.

Accepted 29 August 2014

Transmission electron microscopy analysis of the crystallography of precipitates in Mg-Sn alloys aged at high temperatures

X. Nie, Y. Guan, D. Zhao, Y. Liu, J. Gui, L. Li and J. Wang

Synopsis: The crystallographic orientation relationships of precipitated [beta]-Mg2Sn particles in Mg-9.76 wt% Sn alloy aged at 573 K for 5 h were investigated by advanced transmission electron microscopy (TEM). Models of the interface of precipitated [beta]-Mg2Sn and the [alpha]-Mg matrix were constructed via high-resolution TEM and atomic resolution high-angle annular dark-field scanning TEM.

Accepted 29 August 2014

An optical chopper for generation of short X-ray pulses to allow in-house time-resolved photocrystallography

R. Kaminski, G. Nottingham and P. Coppens

Synopsis: The design of an optical chopper and chopper housing for in-house time-resolved photocrystallography of short-lived species is described. The chopper is capable of generating X-ray pulses down to a length of about 5 µs.

Accepted 27 August 2014

Strain resolution of scanning electron microscopy based Kossel microdiffraction

D. Bouscaud, A. Morawiec, R. Pesci, S. Berveiller and E. Patoor

Synopsis: Scanning electron microscopy generated, digitally recorded Kossel patterns originating from crystallites of arbitrary orientation can be used for local strain determination. The experimental setup is described, and the strain resolution of the technique is estimated.

Accepted 27 August 2014

Crystallography of embedded particles in Al-Mg-Zn alloys. Symmetry analysis

G. Thorkildsen and H. B. Larsen

Synopsis: A complete survey regarding rotational variants associated with metastable ([eta]') and equilibrium ([eta]) precipitate crystals in an Al-Mg-Zn alloy has been undertaken. The subject of superimposed reciprocal lattices has been treated in great detail.

Accepted 26 August 2014

EXAFS investigation of the role of Cu on the chemical order and lattice distortion in L10 Fe-Pt-Cu thin films

S. Laureti, C. Brombacher, D. Makarov, M. Albrecht, D. Peddis, G. Varvaro and F. D'Acapito

Synopsis: This work presents an extended X-ray absorption fine structure (EXAFS) characterization of ternary Fe-Pt-Cu alloys with different Cu content.

Accepted 26 August 2014

The suppression of fluorescence peaks in energy-dispersive X-ray diffraction

G. M. Hansford, S. M. R. Turner, D. Staab and D. Vernon

Synopsis: It is shown experimentally that diffraction peaks which are normally obscured by fluorescence peaks in energy-dispersive X-ray diffraction can be revealed by tuning of the X-ray tube excitation voltage in order to suppress the fluorescence peaks.

Accepted 26 August 2014

Continuous X-ray multiple-beam diffraction with primary Bragg angle from 0 to 90°

X.-R. Huang, Q. Jia, M. Wieczorek and L. Assoufid

Synopsis: The principles of continuous multiple-beam diffraction occurring within special crystallographic planes of cubic structures and the procedure to determine such planes are illustrated for optimization of X-ray monochromator designs and for general X-ray multiple-beam diffraction characterization of cubic structure crystals.

Accepted 22 August 2014

Local structure of Pb(Zr0.53Ti0.47)O3

K. Z. Baba-Kishi and A. M. Glazer

Synopsis: Extensive studies of the projected local structure of PZTmpb by the techniques of high-angle annular dark-field and annular bright-field imaging have revealed displacements on B sites as well as extensive distortions and possibly rotations of the oxygen cages.

Accepted 20 August 2014

Transmission electron microscopy investigation and interpretation of the morphology and interfacial structure of the [epsilon]'-Mg54Ag17 precipitates in an Mg-Sn-Mn-Ag-Zn alloy

X. Huang, Z. Shi and W. Zhang

Synopsis: The morphology and interfacial structure of the [epsilon]'-Mg54Ag17 precipitates in an Mg-Sn-Mn-Ag-Zn alloy have been studied both experimentally by transmission electron microscopy and theoretically using a secondary coincident site lattice model. The good agreement between the experimental results and theoretical calculations implies the preferred rules of the precipitates' crystallographic features.

Accepted 19 August 2014

High diffraction efficiency with hard X-rays through a thick silicon crystal bent by carbon fiber deposition

R. Camattari, E. Dolcini, V. Bellucci, A. Mazzolari and V. Guidi

Synopsis: Deposition of a thick film of carbon fibers proved to be an effective method to bend two 5 mm-thick Si monocrystals. High diffraction efficiency was recorded with a 150 keV X-ray beam.

Accepted 12 August 2014

Small-angle scattering data analysis in GSAS-II

R. B. Von Dreele

Synopsis: The freely available open-source GSAS-II package now contains modules for the analysis of small angle X-ray scattering data. This includes processing of two-dimensional images to create one-dimensional patterns, analysis of the size distribution and modelling of the one-dimensional data with a combination of various scattering components, and slit smearing corrections can be applied where needed.

Accepted 10 August 2014

Crystal chemistry of clinker relicts from aged cementitious materials

M. Secco, L. Peruzzo, L. Palasse, G. Artioli, A. Viani and A. F. Gualtieri

Synopsis: The crystal-chemical properties of clinker relicts within different types of aged cementitious materials were defined, integrating standard microstructural analysis by scanning electron microscopy with quantitative microchemical and micromineralogical analyses by electron microprobe and electron backscatter diffraction. The peculiar mineralogical, chemical and textural features observed raise interesting questions concerning the long-term hydration kinetics of clinker phases in operating conditions.

Accepted 8 August 2014

Nanocrystallite model for amorphous calcium carbonate

P. Rez, S. Sinha and A. Gal

Synopsis: Iit is shown that calculations of the coherent diffraction from nanocrystals, suitably averaged over a full range of possible orientations, give coherent diffraction profiles that resemble those of measured biogenic and synthetic amorphous calcium carbonate data when the nanocrystallite size is of the order of 1.0 nm.

Accepted 8 August 2014

NXFit: a program for simultaneously fitting X-ray and neutron diffraction pair-distribution functions to provide optimized structural parameters

D. Pickup, R. Moss and R. Newport

Synopsis: A program to extract coordination numbers, atomic separations and disorder parameters from neutron and X-ray pair-distribution functions is described. The application of this program in the analysis of data from a melt-quenched (Na2O)0.5(P2O5)0.5 glass and a (TiO2)0.18(SiO2)0.82 sol-gel is presented.

Accepted 7 August 2014

Exotic X-ray back-diffraction: a path toward a soft inelastic X-ray scattering spectrometer

M. G. Hönnicke, R. Conley, C. Cusatis, E. M. Kakuno, J. Zhou, N. Bouet, J. B. Marques and F. C. Vicentin

Synopsis: Soft X-ray back-diffraction (XBD) is explored in an ultra-thin Si(220) crystal. Extreme XBD measurements show close agreement with theory, opening up new possibilities in X-ray optics.

Accepted 2 August 2014

Investigation of orthorhombic-tetragonal structural crossover in (Ba0.92Ca0.08)(Zr0.05Ti0.95)O3

G. Singh, A. Upadhaya, A. K. Sinha and V. S. Tiwari

Synopsis: A crossover from orthorhombic to tetragonal structure is investigated for (Ba0.92Ca0.08)(Zr0.05Ti0.95)O3 using temperature-dependent X-ray diffraction.

Accepted 26 July 2014

Principal axes for clusters in crystals investigated by the tensor of inertia: a case study with BH4 in Mg(BH4)2

A. Kupczak, Pytlik and Sikora

Synopsis: A search is undertaken for the unique axes of rotation in clusters using tensor of inertia calculations. The case of BH4 clusters in magnesium borohydride is used for illustration.

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.

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