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Related Concept Videos

X-ray Diffraction of Biological Samples01:10

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...
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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.
Diffraction
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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Related Experiment Video

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Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
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PCED2.0--a computer program for the simulation of polycrystalline electron diffraction pattern.

X Z Li1

  • 1Nebraska Center for Materials and Nanoscience, University of Nebraska, WSEC N104, Lincoln, NE 68588-0650, USA. xli2@unl.edu

Ultramicroscopy
|January 26, 2010
PubMed
Summary
This summary is machine-generated.

PCED2.0 simulates polycrystalline electron diffraction patterns for materials analysis. This upgraded software aids in phase identification, texture analysis, and phase fraction determination using advanced simulation techniques.

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Area of Science:

  • Materials Science
  • Crystallography
  • Computational Materials Science

Background:

  • Electron diffraction is crucial for analyzing polycrystalline materials.
  • Accurate simulation tools are needed for phase identification and texture analysis.
  • Previous software versions (JECP/PCED) provided a foundation for this research.

Purpose of the Study:

  • To introduce PCED2.0, an enhanced computer program for simulating electron diffraction patterns.
  • To provide a versatile tool for materials research and education.
  • To improve upon existing simulation capabilities for polycrystalline samples.

Main Methods:

  • Incorporates kinematical theory and Blackman two-beam dynamical correction for diffraction intensity.
  • Utilizes the March model for simulating out-of-plane and in-plane textures.
  • Employs a pseudo-Voigt function for fitting diffraction ring profiles.
  • Features an improved user-friendly interface for data handling and indexing.

Main Results:

  • PCED2.0 enables accurate simulation of polycrystalline electron diffraction patterns.
  • The program facilitates phase identification, microstructure texture analysis, and phase fraction determination.
  • Demonstrates successful application in analyzing FePt thin films.

Conclusions:

  • PCED2.0 is a powerful and flexible tool for the analysis of polycrystalline materials.
  • The software serves as both a valuable research instrument and an educational aid.
  • Enhanced simulation capabilities contribute to a deeper understanding of material microstructures.