Journal of Applied Crystallography

Volume 37, Part 4 (August 2004)

research papers

J. Appl. Cryst. (2004). 37, 629-634 [ doi:10.1107/S0021889804013366 ]

Nanocrystalline domain size distributions from powder diffraction data

M. Leoni and P. Scardi

Abstract: 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.

Keywords: whole powder pattern modelling; grain size distribution; line profile analysis.