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EDP2PDF: a computer program for extracting a pair distribution function from an electron diffraction pattern for the structural analysis of materials.
Liu, Hongwei; Nomoto, Keita; Ceguerra, Anna V; Kruzic, Jamie J; Cairney, Julie; Ringer, Simon P.
Afiliación
  • Liu H; Australian Centre for Microscopy and Microanalysis, University of Sydney, Sydney, New South Wales 2006, Australia.
  • Nomoto K; School of Aerospace, Mechanical and Mechatronic Engineering, University of Sydney, Sydney, New South Wales 2006, Australia.
  • Ceguerra AV; School of Mechanical and Manufacturing Engineering, UNSW Sydney, Sydney, New South Wales 2052, Australia.
  • Kruzic JJ; Australian Centre for Microscopy and Microanalysis, University of Sydney, Sydney, New South Wales 2006, Australia.
  • Cairney J; School of Aerospace, Mechanical and Mechatronic Engineering, University of Sydney, Sydney, New South Wales 2006, Australia.
  • Ringer SP; School of Mechanical and Manufacturing Engineering, UNSW Sydney, Sydney, New South Wales 2052, Australia.
J Appl Crystallogr ; 56(Pt 3): 889-902, 2023 Jun 01.
Article en En | MEDLINE | ID: mdl-37284274
ABSTRACT
Pair distribution function (PDF) analysis is a powerful technique to understand atomic scale structure in materials science. Unlike X-ray diffraction (XRD)-based PDF analysis, the PDF calculated from electron diffraction patterns (EDPs) using transmission electron microscopy can provide structural information from specific locations with high spatial resolution. The present work describes a new software tool for both periodic and amorphous structures that addresses several practical challenges in calculating the PDF from EDPs. The key features of this program include accurate background subtraction using a nonlinear iterative peak-clipping algorithm and automatic conversion of various types of diffraction intensity profiles into a PDF without requiring external software. The present study also evaluates the effect of background subtraction and the elliptical distortion of EDPs on PDF profiles. The EDP2PDF software is offered as a reliable tool to analyse the atomic structure of crystalline and non-crystalline materials.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Appl Crystallogr Año: 2023 Tipo del documento: Article País de afiliación: Australia
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Appl Crystallogr Año: 2023 Tipo del documento: Article País de afiliación: Australia