A real-space approach to the analysis of stacking faults in close-packed metals: Modelling and Q-space feedback Longo Alessandro

Research output: Contribution to journalArticle

Abstract

An R-space approach to the simulation and fitting of a structural model to the experimental pair distribution function is described, to investigate the structural disorder (distance distribution and stacking faults) in close-packed metals. This is carried out by transferring the Debye function analysis into R space and simulating the low-angle and high-angle truncation for the evaluation of the relevant Fourier transform. The strengths and weaknesses of the R-space approach with respect to the usual Q-space approach are discussed.
Original languageEnglish
Pages (from-to)84-91
Number of pages8
JournalACTA CRYSTALLOGRAPHICA. SECTION A, FOUNDATIONS AND ADVANCES
Volume76
Publication statusPublished - 2020

All Science Journal Classification (ASJC) codes

  • Structural Biology
  • Biochemistry
  • Materials Science(all)
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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