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  Simulating the diffraction line profile from nanocrystalline powders using a spherical harmonics expansion

Beyerlein, K., & Scardi, P. (2018). Simulating the diffraction line profile from nanocrystalline powders using a spherical harmonics expansion. Acta Crystallographica Section A: Foundations and Advances, 74(6), 640-646. doi:10.1107/S2053273318011452.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-7FB0-9 Version Permalink: http://hdl.handle.net/21.11116/0000-0002-A5EC-A
Genre: Journal Article

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ib5062.pdf (Publisher version), 841KB
 
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https://dx.doi.org/10.1107/S2053273318011452 (Publisher version)
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 Creators:
Beyerlein, K.R.1, 2, Author              
Scardi, P.3, Author
Affiliations:
1Quantum Condensed Matter Dynamics, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938293              
2Center for Free-Electron Laser Scienc, ou_persistent22              
3Department of Civil, Environment and Mechanical Engineering, University of Trento, ou_persistent22              

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Free keywords: line profile analysis; nanocrystalline materials; powder diffraction; domain size broadening
 Abstract: An accurate description of the diffraction line profile from nanocrystalline powders can be obtained by a spherical harmonics expansion of the profile function. The procedure outlined in this work is found to be computationally efficient and applicable to the line profile for any crystallite shape and size. Practical examples of the diffraction pattern peak profiles resulting from cubic crystallites between 1 and 100 nm in size are shown.

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Language(s): eng - English
 Dates: 2018-05-212018-08-112018-11
 Publication Status: Published online
 Pages: 7
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1107/S2053273318011452
 Degree: -

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Title: Acta Crystallographica Section A: Foundations and Advances
  Abbreviation : Acta Cryst. A
Source Genre: Journal
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Publ. Info: IUCr/Wiley
Pages: - Volume / Issue: 74 (6) Sequence Number: - Start / End Page: 640 - 646 Identifier: ISSN: 2053-2733
CoNE: https://pure.mpg.de/cone/journals/resource/2053-2733