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The use of computational methods for the powder X-ray diffraction data analysis is now generalized. It typically compares the experimental data to the simulated diffractogram of a model structure, taking into account the instrumental parameters, and refines the structural or microstructural parameters of the model using least squares based ...
It is an X-ray-diffraction [2] method and commonly used to determine a range of information about crystalline materials. The term WAXS is commonly used in polymer sciences to differentiate it from SAXS but many scientists doing "WAXS" would describe the measurements as Bragg/X-ray/powder diffraction or crystallography.
Free-electron lasers have been developed for use in X-ray diffraction and crystallography. [27] These are the brightest X-ray sources currently available; with the X-rays coming in femtosecond bursts. The intensity of the source is such that atomic resolution diffraction patterns can be resolved for crystals otherwise too small for collection.
Small-angle X-ray scattering (SAXS) is a small-angle scattering technique by which nanoscale density differences in a sample can be quantified. This means that it can determine nanoparticle size distributions, resolve the size and shape of (monodisperse) macromolecules, determine pore sizes and characteristic distances of partially ordered materials. [1]
Pole figure and diffraction figure. Consider the diffraction pattern obtained with a single crystal, on a plane that is perpendicular to the beam, e.g. X-ray diffraction with the Laue method, or electron diffraction in a transmission electron microscope. The diffraction figure shows spots. The position of the spots is determined by the Bragg's ...
X-ray diffraction computed tomography is an experimental technique that combines X-ray diffraction with the computed tomography data acquisition approach. X-ray diffraction (XRD) computed tomography (CT) was first introduced in 1987 by Harding et al. [ 1 ] using a laboratory diffractometer and a monochromatic X-ray pencil beam .
X-ray crystal truncation rod scattering is a powerful method in surface science, based on analysis of surface X-ray diffraction (SXRD) patterns from a crystalline surface. For an infinite crystal , the diffracted pattern is concentrated in Dirac delta function like Bragg peaks .
Difference density maps are usually calculated using Fourier coefficients which are the differences between the observed structure factor amplitudes from the X-ray diffraction experiment and the calculated structure factor amplitudes from the current model, using the phase from the model for both terms (since no phases are available for the ...
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