Combined texture and structure analysis of deformed limestone from time-of-flight neutron diffraction spectra

TLDR

The orientation distribution of a textured polycrystalline material has traditionally been determined from a few individual pole figures of lattice planes hkl measured by X‑ray or neutron diffraction. This study demonstrates a new method that uses the entire diffraction spectrum instead of extracted peak intensities by integrating orientation distribution calculations with the crystallographic Rietveld method. The method’s feasibility is illustrated with time‑of‑flight neutron diffraction data from experimentally deformed polycrystalline calcite. The approach enables quantitative extraction of texture, crystal structure, microstructure, and residual stress from incomplete pole figures and overlapping peak regions, offering a key for analyzing low‑symmetry compounds and complex composites.

Abstract

The orientation distribution of a textured polycrystalline material has been traditionally determined from a few individual pole figures of lattice planes hkl, measured by x-ray or neutron diffraction. A new method is demonstrated that uses the whole diffraction spectrum, rather than extracted peak intensities, by combining the orientation distribution calculation with the crystallographic Rietveld method. The feasibility of the method is illustrated with time-of-flight neutron diffraction data of experimentally deformed polycrystalline calcite. It is possible to obtain quantitative information on texture, crystal structure, microstructure, and residual stress from highly incomplete pole figures and from regions of the diffraction spectrum containing many overlapping peaks. The approach provides a key for quantitative texture analysis of low symmetry compounds and of composites with complicated diffraction spectra.