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.
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A critical step toward far-field laboratory diffraction contrast tomography in Laue focusing geometry
A far-field laboratory diffraction contrast tomography (FF-LabDCT) technique is established and verified using conventional near-field LabDCT. Future directions to enhance FF-LabDCT as a versatile tool are outlined.
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If you cannot see it, is it still there?
Flexible segments of protein molecules, while known to be present in a structure, are often not visible in the electron density and are thus omitted in models. Ensemble refinement of completed models allows for visualization and exploration of the available conformation space of such `invisible' regions. Combined with the analysis of different crystal forms, insights into functional aspects of molecular plasticity can be inferred.
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Probing the out-of-equilibrium dynamics of driven colloids by X-ray photon correlation spectroscopy
This article presents an application of X-ray photon correlation spectroscopy (XPCS) to probe the out-of-equilibrium dynamics in a driven colloidal system. XPCS enables the investigation of direction-dependent non-equilibrium dynamics and the gradual return of the suspension to equilibrium Brownian behaviour. The influence of such transient non-equilibrium dynamics needs to be taken into consideration when dynamic scattering methods are used for micrometre-range particle sizing.
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In situ small-angle X-ray scattering measurement at the Very Small Angle Neutron Scattering Instrument at the China Spallation Neutron Source
A pioneering vertical-geometry small-angle X-ray scattering setup is available at beamline 14, Very Small Angle Neutron Scattering Instrument, at the China Spallation Neutron Source. Small-angle X-ray and neutron scattering can thus be performed at the same time.
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Computing virtual dark-field X-ray microscopy images of complex discrete dislocation structures from large-scale molecular dynamics simulations
A scalable forward model is developed to calculate virtual dark-field X-ray microscopy (DFXM) images of complex dislocation structures predicted by atomistic simulations, demonstrating the potential of DFXM to resolve features from dislocation multiplication and microstructural evolution.
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Formalism to image the dynamics of coherent and incoherent phonons with dark-field X-ray microscopy using kinematic diffraction theory
Here, a formalism to relate dark-field X-ray microscopy images to quantitative measurements of coherent and incoherent phonon populations in bulk single crystals is described.
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A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal–organic frameworks
Microcrystal electron diffraction (microED) was used to determine the crystal structure of a recently synthesized metal–organic framework (MOF) from powder crystallites. The structural descriptions of two other MOFs by microED are compared with results previously published using X-ray powder diffraction supported by density functional theory calculations.