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Rietveld refinement with spallation neutron powder diffraction data
Author(s) -
Von Dreele R. B.,
Jorgensen J. D.,
Windsor C. G.
Publication year - 1982
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/s0021889882012722
Subject(s) - spallation , rietveld refinement , neutron diffraction , powder diffraction , spallation neutron source , materials science , neutron , resolution (logic) , diffraction , crystallography , physics , nuclear physics , chemistry , computer science , optics , artificial intelligence
The mathematical functions necessary for Rietveld refinement of time‐of‐flight neutron powder diffraction patterns from spallation sources are developed and a computer program for least‐squares analysis is described. The results of Rietveld refinements of nickel and a low‐carbon steel are described and discussed. The method fully exploits the high resolution ( Δd/d ~ 0.3 ~ 0.5%) available with powder diffractometers currently in operation on these sources and examples are given of precise determination of atom coordinates, thermal parameters, lattice parameters and the detection of small strains.