scholarly journals DLSR: a solution to the parallax artefact in X-ray diffraction computed tomography data

2020 ◽  
Vol 53 (6) ◽  
pp. 1531-1541
Author(s):  
A. Vamvakeros ◽  
A. A. Coelho ◽  
D. Matras ◽  
H. Dong ◽  
Y. Odarchenko ◽  
...  
Keyword(s):  
Computed Tomography ◽  
Tomographic Reconstruction ◽  
Scale Up ◽  
Lattice Parameter ◽  
Chemical Information ◽  
X Rays ◽  
X Ray Diffraction ◽  
Major Barrier ◽  
X Ray ◽  
Tomography Data

A new tomographic reconstruction algorithm is presented, termed direct least-squares reconstruction (DLSR), which solves the well known parallax problem in X-ray-scattering-based experiments. The parallax artefact arises from relatively large samples where X-rays, scattered from a scattering angle 2θ, arrive at multiple detector elements. This phenomenon leads to loss of physico-chemical information associated with diffraction peak shape and position (i.e. altering the calculated crystallite size and lattice parameter values, respectively) and is currently the major barrier to investigating samples and devices at the centimetre level (scale-up problem). The accuracy of the DLSR algorithm has been tested against simulated and experimental X-ray diffraction computed tomography data using the TOPAS software.

scholarly journals Removing multiple outliers and single-crystal artefacts from X-ray diffraction computed tomography data

2015 ◽  
Vol 48 (6) ◽  
pp. 1943-1955 ◽  
Author(s):  
Antonios Vamvakeros ◽  
Simon D. M. Jacques ◽  
Marco Di Michiel ◽  
Vesna Middelkoop ◽  
Christopher K. Egan ◽  
...  
Keyword(s):  
Computed Tomography ◽  
Single Crystal ◽  
Tomographic Reconstruction ◽  
Projection Data ◽  
Data Sets ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diffraction Patterns ◽  
Tomography Data

This paper reports a simple but effective filtering approach to deal with single-crystal artefacts in X-ray diffraction computed tomography (XRD-CT). In XRD-CT, large crystallites can produce spots on top of the powder diffraction rings, which, after azimuthal integration and tomographic reconstruction, lead to line/streak artefacts in the tomograms. In the simple approach presented here, the polar transform is taken of collected two-dimensional diffraction patterns followed by directional median/mean filtering prior to integration. Reconstruction of one-dimensional diffraction projection data sets treated in such a way leads to a very significant improvement in reconstructed image quality for systems that exhibit powder spottiness arising from large crystallites. This approach is not computationally heavy which is an important consideration with big data sets such as is the case with XRD-CT. The method should have application to two-dimensional X-ray diffraction data in general where such spottiness arises.

scholarly journals Electronic Excitations and Radiation Damage in Macromolecular Crystallography

Crystals ◽  
2018 ◽  
Vol 8 (7) ◽  
pp. 273 ◽  
Author(s):  
José Brandão-Neto ◽  
Leonardo Bernasconi
Keyword(s):  
Chemical Information ◽  
X Rays ◽  
Electronic Excitations ◽  
Macromolecular Crystallography ◽  
X Ray Diffraction ◽  
X Ray ◽  
Atomic Structures ◽  
Successful Approach ◽  
Structural Research

Macromolecular crystallography at cryogenic temperatures has so far provided the majority of the experimental evidence that underpins the determination of the atomic structures of proteins and other biomolecular assemblies by means of single crystal X-ray diffraction experiments. One of the core limitations of the current methods is that crystal samples degrade as they are subject to X-rays, and two broad groups of effects are observed: global and specific damage. While the currently successful approach is to operate outside the range where global damage is observed, specific damage is not well understood and may lead to poor interpretation of the chemistry and biology of the system under study. In this work, we present a phenomenological model in which specific damage is understood as the result of a single process, the steady excitation of crystal electrons caused by X-ray absorption, which acts as a trigger for the bulk effects that manifest themselves in the form of global damage and obscure the interpretation of chemical information from XFEL and synchrotron structural research.

scholarly journals Electronic Excitations and Radiation Damage in Macromolecular Crystallography

2018 ◽  
Author(s):  
José Brandão-Neto ◽  
Leonardo Bernasconi
Keyword(s):  
Chemical Information ◽  
X Rays ◽  
Electronic Excitations ◽  
Macromolecular Crystallography ◽  
X Ray Diffraction ◽  
X Ray ◽  
Atomic Structures ◽  
Successful Approach ◽  
Structural Research

Macromolecular crystallography at cryogenic temperatures has so far provided the majority of the experimental evidence that underpins the determination of the atomic structures of proteins and other biomolecular assemblies by means of single crystal X-ray diffraction experiments. One of the core limitations of the current methods is that crystal samples degrade as they are subject to X-rays, and two broad groups of effects are observed: global and specific damage. While the currently successful approach is to operate outside the range where global damage is observed, specific damage is not well understood and may lead to poor interpretation of the chemistry and biology of the system under study. In this work, we present a phenomenological model in which specific damage is understood as the result of a single process, the steady excitation of crystal electrons caused by X-ray absorption, which acts as a trigger for the bulk effects that manifest themselves in the form of global damage and obscure the interpretation of chemical information from XFEL and synchrotron structural research.

scholarly journals Gradient of Residual Stress and Lattice Parameter in Mechanically Polished Tungsten Measured Using Classical X-rays and Synchrotron Radiation

2020 ◽  
Vol 51 (11) ◽  
pp. 5945-5957
Author(s):  
Adrian Oponowicz ◽  
Marianna Marciszko-Wiąckowska ◽  
Andrzej Baczmański ◽  
Manuela Klaus ◽  
Christoph Genzel ◽  
...  
Keyword(s):  
Stress Gradient ◽  
Diffraction Method ◽  
High Energy ◽  
Lattice Parameter ◽  
Free Lattice ◽  
Stress Profile ◽  
X Rays ◽  
X Ray Diffraction ◽  
X Ray ◽  
Subsurface Region

Abstract In this work, the stress gradient in mechanically polished tungsten sample was studied using X-ray diffraction methods. To determine in-depth stress evolution in the very shallow subsurface region (up to 10 μm), special methods based on reflection geometry were applied. The subsurface stresses (depth up to 1 μm) were measured using the multiple-reflection grazing incidence X-ray diffraction method with classical characteristic X-rays, while the deeper volumes (depth up to 10 μm) were investigated using energy-dispersive diffraction with white high energy synchrotron beam. Both complementary methods allowed for determining in-depth stress profile and the evolution of stress-free lattice parameter. It was confirmed that the crystals of tungsten are elastically isotropic, which simplifies the stress analysis and makes tungsten a suitable material for testing stress measurement methods. Furthermore, it was found that an important compressive stress of about − 1000 MPa was generated on the surface of the mechanically polished sample, and this stress decreases to zero value at the depth of about 9 μm. On the other hand, the strain-free lattice parameter does not change significantly in the examined subsurface region.

scholarly journals Perspectives of the Tooth Restoration Technology Based on the Computed Tomography Data

2018 ◽  
Vol 155 ◽  
pp. 01004
Author(s):  
Maxim Putrik ◽  
Vladimir Ivanov ◽  
Igor Antsygin
Keyword(s):  
Computed Tomography ◽  
Processing System ◽  
Cone Beam ◽  
Tooth Surface ◽  
X Rays ◽  
Micro Computed Tomography ◽  
X Ray ◽  
Tomography Method ◽  
Cone Beam Tomography ◽  
Tomography Data

The aim of the study is to create an image processing system, which allows dentists to create tooth surface automatically. X-rays images of jaws from the cone beam tomography or the spiral computed tomography and images from the micro-computed tomography are the initial data for processing. Example of using the combination of optical and x-ray images in the dentistry is described. Also, it was shown how to use the microcomputed tomography method to plan the placement of orthopedic structures on the lost teeth sites.

Analysis of stresses and crystal structure in the surface layer of hexagonal polycrystalline materials: a new methodology based on grazing incidence diffraction

2016 ◽  
Vol 49 (1) ◽  
pp. 85-102 ◽  
Author(s):  
Marianna Marciszko ◽  
Andrzej Baczmański ◽  
Chedly Braham ◽  
Mirosław Wróbel ◽  
Wilfrid Seiler ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Stress Gradient ◽  
Grazing Incidence ◽  
Lattice Parameter ◽  
Polycrystalline Materials ◽  
X Rays ◽  
X Ray Diffraction ◽  
Surface Layers ◽  
X Ray ◽  
Good Agreement

The multireflection grazing-incidence X-ray diffraction (MGIXD) method is commonly used to determine a stress gradient in thin surface layers (about 1–20 µm for metals). In this article, the development of MGIXD to enable the determination not only of stresses but also of thec/aratio and thea0strain-free lattice parameter in hexagonal polycrystalline materials is presented and tested. The new procedure was applied for the results of measurements performed using a laboratory X-ray diffractometer and synchrotron radiation. The evolution of stresses and lattice parameters with depth was determined for Ti and Ti-alloy samples subjected to different mechanical surface treatments. A very good agreement of the results obtained using three different wavelengths of synchrotron radiation as well as classical X-rays (CuKα radiation) was found.

X-ray diffraction properties of curved crystal diffractors

1992 ◽  
Vol 50 (2) ◽  
pp. 1734-1735
Author(s):  
W. Z. Chang ◽  
D. B. Wittry
Keyword(s):  
Diffraction Theory ◽  
X Rays ◽  
Diffraction Image ◽  
X Ray Diffraction ◽  
Rocking Curve ◽  
X Ray ◽  
Bent Crystal ◽  
Diffraction Geometry ◽  
Crystal Parameter ◽  
Quantitative Procedure

Since Du Mond and Kirkpatrick first discussed the principle of a bent crystal spectrograph in 1930, curved single crystals have been widely utilized as spectrometric monochromators as well as diffractors for focusing x rays diverging from a point. Curved crystal diffraction theory predicts that the diffraction parameters - the rocking curve width w, and the peak reflection coefficient r of curved crystals will certainly deviate from those of their flat form. Due to a lack of curved crystal parameter data in current literature and the need for optimizing the choice of diffraction geometry and crystal materials for various applications, we have continued the investigation of our technique presented at the last conference. In the present abstract, we describe a more rigorous and quantitative procedure for measuring the parameters of curved crystals.The diffraction image of a singly bent crystal under study can be obtained by using the Johann geometry with an x-ray point source.

X-ray microprobe for materials science

1994 ◽  
Vol 52 ◽  
pp. 56-57
Author(s):  
G.E. Ice
Keyword(s):  
Crystallographic Orientation ◽  
Local Structure ◽  
Materials Science ◽  
Chemical Information ◽  
X Ray Diffraction ◽  
Ray Optics ◽  
X Ray ◽  
Novel Materials ◽  
New Information ◽  
Elemental Sensitivity

The increasing availability of synchrotron x-ray sources has stimulated the development of advanced hard x-ray (E≥5 keV) microprobes. With new x-ray optics these microprobes can achieve micron and submicron spatial resolutions. The inherent elemental and crystallographic sensitivity of an x-ray microprobe and its inherently nondestructive and penetrating nature will have important applications to materials science. For example, x-ray fluorescent microanalysis of materials can reveal elemental distributions with greater sensitivity than alternative nondestructive probes. In materials, segregation and nonuniform distributions are the rule rather than the exception. Common interfaces to whichsegregation occurs are surfaces, grain and precipitate boundaries, dislocations, and surfaces formed by defects such as vacancy and interstitial configurations. In addition to chemical information, an x-ray diffraction microprobe can reveal the local structure of a material by detecting its phase, crystallographic orientation and strain.Demonstration experiments have already exploited the penetrating nature of an x-ray microprobe and its inherent elemental sensitivity to provide new information about elemental distributions in novel materials.

Visualizing Fluid Flows With X-Rays

2007 ◽  
Author(s):  
Theodore J. Heindel ◽  
Terrence C. Jensen ◽  
Joseph N. Gray
Keyword(s):  
Computed Tomography ◽  
Flow Visualization ◽  
Three Dimensional ◽  
Fluid Flows ◽  
X Rays ◽  
Radiographic Images ◽  
Optical Access ◽  
X Ray ◽  
X Ray Computed ◽  
Density Map

There are several methods available to visualize fluid flows when one has optical access. However, when optical access is limited to near the boundaries or not available at all, alternative visualization methods are required. This paper will describe flow visualization using an X-ray system that is capable of digital X-ray radiography, digital X-ray stereography, and digital X-ray computed tomography (CT). The unique X-ray flow visualization facility will be briefly described, and then flow visualization of various systems will be shown. Radiographs provide a two-dimensional density map of a three dimensional process or object. Radiographic images of various multiphase flows will be presented. When two X-ray sources and detectors simultaneously acquire images of the same process or object from different orientations, stereographic imaging can be completed; this type of imaging will be demonstrated by trickling water through packed columns and by absorbing water in a porous medium. Finally, local time-averaged phase distributions can be determined from X-ray computed tomography (CT) imaging, and this will be shown by comparing CT images from two different gas-liquid sparged columns.

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