Preview: Forthcoming article in Journal of Applied Crystallography
Forthcoming article in Journal of Applied Crystallography
Journal of Applied Crystallography covers a wide range of crystallographic topics from the viewpoints of both techniques and theory. The journal presents articles on the application of crystallographic techniques and on the related apparatus and computer
CBED Tools for semi-automatic measurement of crystal thicknesses
CBED tools, a free plugin of the DigitalMicrograph software, is capable of fast and accurate measurements of the crystal thickness and the extinction distance based on the linear fitting method (~ 1-2 min). This tool, is also able to perform thickness determination for very thin crystals when the traditional CBED thickness analysis does not work, e.g., only one fringe, or even the part of the first fringe is exhibited in the CBED disk. Moreover, it is also possible to analyse the severely distorted fringes when ZOLZ Kikuchi lines strongly overlap with K-M fringes.
MPI tray—a versatile crystallization plate for membrane proteins
A new crystallization plate (the MPI tray) was developed for UV and visible imaging with membrane protein samples. Optimization of the surface properties fundamentally enhanced the usability of the plate also in the presence of detergents. Here we report the design of a new crystallization plate, termed the MPI tray, which is optimized for UV and visible imaging with membrane protein samples. Following basic considerations regarding geometry and material, the surface properties of the plate were subjected to extensive analysis and modification in order to improve the performance in a robotic environment. An electrostatic surface potential was identified as the major problem affecting automated setup of experiments, and we found that treatment of the crystallization plate with ethanol is effective in removing this potential.
Roughness replication in neutron supermirrors
Long-range interface roughness correlation in Ni–Ti neutron supermirrors is found to manifest in plateaus and peaks in the diffuse neutron scatter. The features are of resonant character and are strongly dependent on the type of the supermirror structure (slowly increasing or decreasing bilayer thickness). Distorted wave Born approximation calculations yield the statistical parameters of the interface roughness correlations.
Nanoscale stability of two- and three-dimensional defects in Cu/Ag–Mo thin films
The thermal stability of highly defective nanotwinned thin Cu–Mo and Ag–Mo films was investigated using X-ray diffraction and high-resolution transmission electron microscopy. The exposure of segregation and precipitation processes leads to partial stabilization of the nanostructure in the Cu–Mo film and to full stabilization of the nanostructure in the Ag–Mo film, in accordance with thermodynamic and kinetic analyses performed as well.
CADEM: calculate X-ray diffraction of epitaxial multilayers
This article presents a powerful yet simple program, based on the general one-dimensional kinematic X-ray diffraction (XRD) theory, which calculates the XRD patterns of tailor-made multilayers and thus enables quantitative comparison of measured and calculated XRD data. As the multilayers are constructed layer by layer, the final material stack can be entirely arbitrary.
Neutron total scattering of crystalline materials in the gigapascal regime
The combination of high-pressure neutron diffraction and total scattering of crystalline materials presents several unique challenges to established data collection and analysis methods. This paper presents a simple reproducible method for the acquisition of high-quality neutron total scattering data from crystalline materials at high pressure.
Phase equilibria in the ternary reciprocal system Li, Ba // BO2, F and growth of bulk β-BaB2O4 crystals
On the basis of studies using a combination of differential thermal analysis, visual polythermal analysis and solid state synthesis, a detailed investigation into phase formation in the ternary reciprocal system Li, Ba // BO2, F has been carried out and its importance in growing barium borate crystals has been shown. The liquidus of the system is composed of primary crystallization fields of six compounds – BaB2O4, BaF2, LiBaF3, LiF, LiBO2 and LiBa2B5O10 – separated by co-crystallization curves and four nonvariant points.