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Search query: dynamical scattering effects

424 articles match your search "dynamical scattering effects"

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Treatment of the effects of a single-crystal incident-beam monochromator in a powder diffraction experiment must be carried out using dynamical diffraction to obtain the correct intensities for reflections, due to the modification of the beam polarization by the monochromator. Theory and data are presented to verify the effect.

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Experimental and computational reduction of dynamical electron scattering allows for visualizing of individual hydrogen atoms.

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A theoretical analysis is carried out of the influence of microdefects on the dynamical effects of primary extinction and anomalous absorption in the integrated intensities of coherent and diffuse scattering of X-rays by imperfect crystals in Bragg diffraction geometry.

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The sensitivity of the integrated X-ray diffraction intensity to different Coulomb-type defects in real crystals is the subject of theoretical research in the case of Bragg diffraction geometry. The diffraction parameters characterizing defects in the test sample of silicon are determined using the proposed approximate formulas.

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Transferable aspherical atom model dynamical refinement on precession electron diffraction data for 1-methyl­uracil crystals offers superior performance compared with the independent atom model and reveals that the quality of 3D electron diffraction data and dynamical refinement is already sufficient to detect minute variations of the electrostatic potential caused by bonding and intermolecular interactions.

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Kinematical Hirshfeld atom refinement has been applied to electron diffraction data for the first time, but the effect of using an aspherical atom model is overshadowed by dynamical scattering effects. Dynamical independent atom model refinement leads to significantly improved structures, suggesting that dynamical refinement is also necessary to obtain the full advantage of using aspherical atom models.

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Takagi–Taupin dynamical X-ray diffraction simulations of cylindrically bent Laue crystals show that, in specific diffraction geometries, the focusing behaviour of such crystals is significantly influenced by dynamical effects, causing the foci of different energies to deviate from the predictions of the `magic condition' derived from geometric optics theory.

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The article presents a theoretical study on dynamic artefacts in the reconstruction of Bragg coherent diffractive imaging using an iterative phase retrieval algorithm.

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An analysis of multiple scattering in ultra-small-angle X-ray scattering (USAXS) and X-ray photon correlation spectroscopy (XPCS) from a colloidal sample is presented. The high resolution of a pinhole USAXS instrument enabled subtle features of multiple scattering to be resolved.

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Using fully atomistic multislice simulations and molecular-dynamics treatment of proteins in ice, it is shown that multiple electron scattering is important for the interpretation of cryogenic transmission electron microscopy images to achieve atomic resolution in macromolecules. Cryogenic scanning transmission electron microscopy is demonstrated to yield flat contrast transfer over a wide spatial frequency range, such that integrated centre of mass and ptychography are promising methods for future high-resolution microscopy at low dose while providing a high degree of flexibility in post-acquisition data processing.
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