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Related Concept Videos

Determination of Crystal Structures01:29

Determination of Crystal Structures

In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...
X-ray Crystallography02:18

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
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Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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X-ray Diffraction of Biological Samples

X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal crystal...
Electron Microscope Tomography and Single-particle Reconstruction01:07

Electron Microscope Tomography and Single-particle Reconstruction

Transmission electron microscopy (TEM) can be used to determine the 3D structure of biological samples with the help of techniques such as electron microscope tomography and single-particle reconstruction. While single-particle reconstruction can examine macromolecules and macromolecular complexes in vitro conditions only, tomography permits the study of cell components or small cells in vivo.
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Derivatization of Protein Crystals with I3C using Random Microseed Matrix Screening
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A GREEDY METHOD FOR RECONSTRUCTING POLYCRYSTALS FROM THREE-DIMENSIONAL X-RAY DIFFRACTION DATA.

Arun K Kulshreshth1, Andreas Alpers, Gabor T Herman

  • 1Department of Computer Science, The Graduate Center, CUNY, NY 10016, USA and Center for Fundamental Research: 'Metal Structures in Four Dimensions', Risø DTU, Technical University of Denmark, DK-4000 Roskilde, Denmark.

Inverse Problems and Imaging (Springfield, Mo.)
|February 4, 2010
PubMed
Summary
This summary is machine-generated.

A new iterative search method accurately reconstructs polycrystal orientation maps using 3D X-ray diffraction (3DXRD) data. This technique refines orientation estimates by minimizing discrepancies between experimental and simulated detector pixel intensities for improved material analysis.

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Area of Science:

  • Materials Science
  • Crystallography
  • Computational Methods

Background:

  • Polycrystal orientation mapping is crucial for understanding material properties.
  • Existing methods for reconstructing orientation maps from 3D X-ray diffraction (3DXRD) data can be computationally intensive or lack precision.

Purpose of the Study:

  • To develop and validate an efficient iterative search method for generating accurate orientation maps from 3DXRD data.
  • To improve upon existing reconstruction techniques by enhancing data consistency and incorporating prior information.

Main Methods:

  • An iterative algorithm was designed to refine orientation maps.
  • A forward model simulates detector pixel intensities based on current orientation estimates.
  • The method identifies discrepancies between experimental and simulated data to guide iterative updates.

Main Results:

  • The proposed iterative method effectively reconstructs orientation maps.
  • It demonstrates superiority over the previously published forward projection Monte Carlo optimization technique.
  • Validation was performed using simulated 3DXRD data.

Conclusions:

  • The novel iterative search method provides a robust approach for orientation mapping in polycrystals.
  • This technique offers improved accuracy and efficiency for analyzing 3DXRD data.
  • The findings have implications for materials characterization and microstructure analysis.