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- Title
Simulating the diffraction line profile from nanocrystalline powders using a spherical harmonics expansion.
- Authors
Beyerlein, K. R.; Scardi, P.
- 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. A spherical harmonics expansion is proposed to model the diffraction line profile from nanocrystalline powders. The procedure is computationally efficient and applicable to any crystallite shape and size.
- Subjects
DIFFRACTION patterns; CRYSTALLINE polymers
- Publication
Acta Crystallographica. Section A, Foundations & Advances, 2018, Vol 74, Issue 6, p640
- ISSN
2053-2733
- Publication type
Article
- DOI
10.1107/S2053273318011452