Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr0.5 Ca0.5 MnO3 powder

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Autor/in:
Erscheinungsjahr:
2015
Medientyp:
Text
Schlagworte:
  • Crystallography
  • Free electron lasers
  • Crystallography SFX
  • Proteins
  • Molecular Dynamics Simulation
  • Molecular Dynamics
  • Crystallography
  • Free electron lasers
  • Crystallography SFX
  • Proteins
  • Molecular Dynamics Simulation
  • Molecular Dynamics
Beschreibung:
  • We report on the analysis of virtual powder-diffraction patterns from serial femtosecond crystallography (SFX) data collected at an X-ray free-electron laser. Different approaches to binning and normalizing these patterns are discussed with respect to the microstructural characteristics which each highlights. Analysis of SFX data from a powder of Pr0.5Ca0.5MnO3 in this way finds evidence of other trace phases in its microstructure which was not detectable in a standard powder-diffraction measurement. Furthermore, a comparison between two virtual powder pattern integration strategies is shown to yield different diffraction peak broadening, indicating sensitivity to different types of microstrain. This paper is a first step in developing new data analysis methods for microstructure characterization from serial crystallography data. (C) 2014 International Centre for Diffraction Data.
Lizenz:
  • info:eu-repo/semantics/restrictedAccess
Quellsystem:
Forschungsinformationssystem der UHH

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oai:www.edit.fis.uni-hamburg.de:publications/ef83dc90-d1af-45ef-bcf5-8da5702e8058