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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Tiekink, E. R. T.

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Volume 233, Issue 1

Issues

DIANNA (diffraction analysis of nanopowders) – a software for structural analysis of nanosized powders

Dmitriy Yatsenko
  • Corresponding author
  • Boreskov Institute of Catalysis SB RAS, pr. Lavrentieva 5, Novosibirsk 630090, Russia
  • Novosibirsk State University, Pirogova Str. 2, Novosibirsk, 630090, Russia
  • Email
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Sergey Tsybulya
  • Boreskov Institute of Catalysis SB RAS, pr. Lavrentieva 5, Novosibirsk 630090, Russia
  • Novosibirsk State University, Pirogova Str. 2, Novosibirsk, 630090, Russia
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2017-05-20 | DOI: https://doi.org/10.1515/zkri-2017-2056

Abstract

DIANNA is a free software developed to simulate atomic models of structures for an ensemble of nanoparticles and to calculate their whole X-ray powder diffraction patterns and the radial distribution function. The main objects of investigation are the particles whose coherent scattering domains do not exceed several nm. DIANNA is based on the ab initio method using the Debye scattering equation. This method makes it possible to obtain information on the atomic structure, shape and size of nanoparticles. It can be applied also to non-periodic materials or coherently ordered nanostructures. Basic program features, methods and some examples are demonstrated.

This article offers supplementary material which is provided at the end of the article.

Keywords: Debye scattering equation; nanocrystals; powder X-ray diffraction; software

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About the article

Received: 2017-03-03

Accepted: 2017-03-26

Published Online: 2017-05-20

Published in Print: 2018-01-26


Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, Volume 233, Issue 1, Pages 61–66, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1515/zkri-2017-2056.

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