Real-space nanostructure via correlation analysis of scanning microfocus x-ray diffraction data

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Real-space nanostructure via correlation analysis of scanning microfocus x-ray diffraction data

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Author(s): Stefan Paporakis ¹ , Michael Hasset ¹ , Patrick Adams ¹ , Jack Binns ¹ , Cameron M. Kewish ² ^, ³ , Andrew Christofferson ¹ , Tamar Greaves ¹ , Andrew V. Martin ¹ ^,

Publication date (Electronic): 21 January 2025

Conference name: 13th Asia Pacific Microscopy Congress 2025 (APMC13)

Conference date: 2-7 Febuary 2025

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Abstract

Fluctuation scattering techniques (also known as x-ray cross-correlation analysis techniques) aim to extract 3D structural information from scanning diffraction experiments via statistical analysis methods, typically based on correlating diffracted intensities [ 1]. There are opportunities to study the nanostructure of disordered and polycrystalline materials, nanoparticle assemblies [ 2] and to image viruses and nanoparticles [ 3]. These methods use similar microfocus or nanofocus beam conditions to ptychography and spectroscopic mapping techniques and represent a route to add new capabilities to existing spectromicroscopy beamlines. A key challenge for fluctuation scattering methods is interpreting the results in terms of real space structure [ 1].

Here we present different approaches for interpreting fluctuation scattering results in real-space. As shown in Fig. 1, for disordered samples it is possible to extract the pair-angle distribution (PADF) function which is higher order form of the well-known pair-distribution function [ 4, 5]. We explain how the PADF can reveal 3D nanostructural information in highly disordered materials and show examples from thermotropic and lyotropic liquid crystals [ 6]. For polycrystalline materials we show how, depending on beam size and domain size, we can gain insights into the microtexture (orientation distribution of the grains) or the structure of the unit cell [ 7]. We also present an algorithm that can extract crystallographic structure factors to provide a route to structure determination via correlation analysis [ 8].

There is significant potential to grow these capabilities in a way that is complimentary to existing imaging and mapping techniques, and which may allow access to nanostructural information that is otherwise inaccessible.

Figure 1

Diffraction data is collected with a scanning focused beam (top). The measurements contain either speckled coherent diffraction or spotty textured rings. These are analysed statistically to produce angular intensity correlation functions (left), which are converted into real-space to obtain the PADF (right). Common combinations of three and four atoms produce peaks in the PADF, allowing the identification of local nanostructure.

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Publication date (Electronic): 21 January 2025

Electronic Location Identifier: e208

Affiliations

[1 ]School of Science, RMIT University, Melbourne, VIC, Australia

[2 ]Australian Nuclear Science and Technology Organisation, Clayton, VIC, Australia

[3 ]Department of Chemistry and Physics, La Trobe University, Bundoora, VIC, Australia

Author notes

*Corresponding author: andrew.martin@ 123456rmit.edu.au

Author information

Stefan Paporakis https://orcid.org/0000-0001-8401-1556

Jack Binns https://orcid.org/0000-0001-5421-6841

Cameron M. Kewish https://orcid.org/0000-0001-6242-7059

Andrew Christofferson https://orcid.org/0000-0003-0904-6630

Tamar Greaves https://orcid.org/0000-0002-0298-0183

Andrew V. Martin https://orcid.org/0000-0003-3704-1829

Article

DOI: 10.14293/APMC13-2025-0208

SO-VID: 84b86ad5-25b0-42fa-a716-f6117691677d

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Published under Creative Commons Attribution 4.0 International ( CC BY 4.0). Users are allowed to share (copy and redistribute the material in any medium or format) and adapt (remix, transform, and build upon the material for any purpose, even commercially), as long as the authors and the publisher are explicitly identified and properly acknowledged as the original source.

Conference name: 13th Asia Pacific Microscopy Congress 2025

Conference acronym: APMC13

Conference number: 13

Conference location: Brisbane, Australia

Conference date: 2-7 Febuary 2025

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Funding

Funded by: Australian Research Council

Award ID: DP190103027

The authors acknowledge funding from the Australian Research Council for funding (DP190103027), University Australia (via the DAAD Germany-Australia funding scheme), and AINSE. They also thank the staff at the XFM and SAXS beamlines at the Australian Synchrotron for invaluable support.

References

IA Zaluzhnyy et al., Materials 12, 3464 (2019) https://doi.org/10.3390/ma12213464
F Schulz,I Lokteva,WJ Parak,F Lehmkühler, Part. Part. Syst. Charact. 38, 2100087 (2021) https://doi.org/10.1002/ppsc.202100087
RP Kurta et al., Phys. Rev. Lett.119, 158102 (2017) https://doi.org/10.1103/PhysRevLett.119.158102
AV Martin, IUCrJ, 4, 24 (2017) https://doi.org/10.1107/S2052252516016730
AV Martin, P Adams, J Binns, IUCrJ, 57, 877 (2024) https://doi.org/10.1107/S1600576724002796
AV Martin et al., (2020). Commun. Mater., 1, 40 (2020) https://doi.org/10.1038/s43246-020-0044-z
Binns, J. et al. IUCrJ, 9, 231 (2022) https://doi.org/10.1107/S2052252521012422
P Adams, T Greaves, AV Martin, IUCrJ, 11, 538 (2024) https://doi.org/10.1107/S2052252524003932

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[1] IA Zaluzhnyy et al., Materials 12, 3464 (2019) https://doi.org/10.3390/ma12213464

[2] F Schulz,I Lokteva,WJ Parak,F Lehmkühler, Part. Part. Syst. Charact. 38, 2100087 (2021) https://doi.org/10.1002/ppsc.202100087

[3] RP Kurta et al., Phys. Rev. Lett.119, 158102 (2017) https://doi.org/10.1103/PhysRevLett.119.158102

[4] AV Martin, IUCrJ, 4, 24 (2017) https://doi.org/10.1107/S2052252516016730

[5] AV Martin, P Adams, J Binns, IUCrJ, 57, 877 (2024) https://doi.org/10.1107/S1600576724002796

[6] AV Martin et al., (2020). Commun. Mater., 1, 40 (2020) https://doi.org/10.1038/s43246-020-0044-z

[7] Binns, J. et al. IUCrJ, 9, 231 (2022) https://doi.org/10.1107/S2052252521012422

[8] P Adams, T Greaves, AV Martin, IUCrJ, 11, 538 (2024) https://doi.org/10.1107/S2052252524003932

Real-space nanostructure via correlation analysis of scanning microfocus x-ray diffraction data

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