neutron diffraction for analysing complex coarse-grained functional materials.

J Appl Crystallogr

Australian Nuclear Science and Technology Organisation, Sydney, Australia.

Published: August 2023

Complex functional materials play a crucial role in a broad range of energy-related applications and in general for materials science. Revealing the structural mechanisms is challenging due to highly correlated coexisting phases and microstructures, especially for or investigations. Since the grain sizes influence the properties, these microstructural features further complicate investigations at synchrotrons due to the limitations of illuminated sample volumes. In this study, it is demonstrated that such complex functional materials with highly correlated coexisting phases can be investigated under conditions with neutron diffraction. For large grain sizes, these experiments are valuable methods to reveal the structural mechanisms. For an example of experiments on barium titanate with an applied electric field, details of the electric-field-induced phase transformation depending on grain size and frequency are revealed. The results uncover the strain mechanisms in barium titanate and elucidate the complex interplay of stresses in relation to grain sizes as well as domain-wall densities and mobilities.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10405584PMC
http://dx.doi.org/10.1107/S1600576723005940DOI Listing

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