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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



 



A Peltier-cooled Microscope Stage for Protein Crystal Post-crystallization Treatment
A Peltier-cooled microscope stage is described, as well as its successful application to improving the diffraction quality of crystals of a multienzyme complex by slow cooling.



A novel fast Fourier transform accelerated off-grid exhaustive search method for cryo-electron microscopy fitting
This paper presents a novel fast Fourier transform based exhaustive search method extended to off-grid translational and rotational degrees of freedom; it is applied to the cryo-electron microscopy fitting problem.



SAXS4COLL: an integrated software tool for analysing fibrous collagen-based tissues
SAXS4COLL is an interactive computer program for reduction and analysis of SAXS data from fibrous collagen tissues, combining data reduction, bespoke background subtraction, semi-automated peak detection and calibration.









The nucleation of protein crystals as a race against time with on- and off-pathways
Concurrent aggregation pathways competing with crystal nucleation deplete the concentration of soluble protein by the sequential formation of small-order oligomers and metastable clusters. Off-pathway aggregates also have positive effects on protein crystallization by favoring heterogeneous nucleation.



Grain growth engineering and mechanical properties of physical vapour deposited InSe platelets
The development of novel hexagonal microstructure of indium monoselenide (InSe) platelet crystals grown by physical vapor deposition has been elucidated for the first time. The investigations on grain boundary morphology, energy gap and strengthening of the vapor grown crystals which resulted fom the proper control of the microstructure provide pathways to realize superior crystals for the fabrication of solar cell devices compared to their counterparts synthesized by other methods.



On some aspects of crystallization process energetics, logistic new phase nucleation kinetics, crystal size distribution and Ostwald ripening
An analogy between the crystallization process and harmonic oscillation is established. It is argued that the crystallizing system responds to the change in its energetic status according to the well known Le Châtelier–Braun principle.



More features, more tools, more CrysTBox
CrysTBox is a suite of four tools for automated quantitative analysis of transmission electron microscope images and two crystallographic visualization tools. The recent development of this freely available package is described.



In situ transmission electron microscopy study of the thermally induced formation of δ′-ZrO in pure Zr and Zr-based alloy
The formation of δ′-ZrO in Zr-based samples was observed by in situ transmission electron microscopy during isothermal annealing. The nucleation sites, the crystal structure of the phase and its crystallographic correspondence to the α matrix were determined.



3D-printed jars for ball-milling experiments monitored in situ by X-ray powder diffraction
Three-dimensional (3D) printing allows one to design and easily manufacture jars for ball-milling experiments monitored in situ by X-ray powder diffraction. These jars have lower background and higher angular resolution than the standard plastic jars used for this purpose. Different designs are available for download in common 3D-printing formats.



Pattern decomposition for residual stress analysis: a generalization taking into consideration elastic anisotropy and extension to higher-symmetry Laue classes
Decomposition of multiphase diffraction patterns with respect to residual stress is considered, taking into account the effects of elastic anisotropy.



Theoretical and experimental study of the gradient properties and the resulting local crystalline structure and orientation in magnetron-sputtered CrAlN coatings with lateral composition and thickness gradient
Phase and texture formation in Cr–Al–N gradient samples is studied by X-ray diffraction, X-ray absorption spectroscopy and transport simulations of the sputter deposition process.