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Nanocrystalline domain size distributions from powder diffraction data
Author(s) -
Leoni Matteo,
Scardi Paolo
Publication year - 2004
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889804013366
Subject(s) - nanocrystalline material , a priori and a posteriori , diffraction , domain (mathematical analysis) , powder diffraction , materials science , distribution (mathematics) , algorithm , computer science , crystallography , mathematics , nanotechnology , physics , optics , chemistry , mathematical analysis , philosophy , epistemology
The need for an a priori domain size distribution is one of the main limitations of existing line profile analysis methodologies. A numerical modification of the whole‐powder‐pattern modelling algorithm is proposed, to allow the refinement of a general domain size distribution from powder diffraction data. The shape of domains has to be inferred for the specimen under study. The algorithm is robust enough to unveil fine details in the refined distribution, as witnessed by the results of tests performed both on simulated and on real patterns of nanocrystalline ceria.