Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film

An approach is described for studying texture in nanostructured materials. The approach implements the real-space texture pair distribution function (PDF), txPDF, laid out by Gong & Billinge {(2018). arXiv:1805.10342 [cond-mat]}. It is demonstrated on a fiber-textured polycrystalline Pt thin fil...
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Autor*in:	Sani Y. Harouna-Mayer [verfasserIn] Songsheng Tao [verfasserIn] ZiZhou Gong [verfasserIn] Martin v. Zimmermann [verfasserIn] Dorota Koziej [verfasserIn] Ann-Christin Dippel [verfasserIn] Simon J. L. Billinge [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2022

Schlagwörter:	materials modeling nanostructure texture 3d pair distribution functions real-space pole figures real-space fiber plots fourigui

Übergeordnetes Werk:	In: IUCrJ - International Union of Crystallography, 2014, 9(2022), 5, Seite 594-603
Übergeordnetes Werk:	volume:9 ; year:2022 ; number:5 ; pages:594-603

Links:	Link aufrufen Link aufrufen Link aufrufen Journal toc

DOI / URN:	10.1107/S2052252522006674

Katalog-ID:	DOAJ025429116

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callnumber-first	Q - Science
author	Sani Y. Harouna-Mayer
spellingShingle	Sani Y. Harouna-Mayer misc QD901-999 misc materials modeling misc nanostructure misc texture misc 3d pair distribution functions misc real-space pole figures misc real-space fiber plots misc fourigui misc Crystallography Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film
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topic_title	QD901-999 Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film materials modeling nanostructure texture 3d pair distribution functions real-space pole figures real-space fiber plots fourigui
topic	misc QD901-999 misc materials modeling misc nanostructure misc texture misc 3d pair distribution functions misc real-space pole figures misc real-space fiber plots misc fourigui misc Crystallography
topic_unstemmed	misc QD901-999 misc materials modeling misc nanostructure misc texture misc 3d pair distribution functions misc real-space pole figures misc real-space fiber plots misc fourigui misc Crystallography
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title	Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film
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title_full	Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film
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title_sort	real-space texture and pole-figure analysis using the 3d pair distribution function on a platinum thin film
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title_auth	Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film
abstract	An approach is described for studying texture in nanostructured materials. The approach implements the real-space texture pair distribution function (PDF), txPDF, laid out by Gong & Billinge {(2018). arXiv:1805.10342 [cond-mat]}. It is demonstrated on a fiber-textured polycrystalline Pt thin film. The approach uses 3D PDF methods to reconstruct the orientation distribution function of the powder crystallites from a set of diffraction patterns, taken at different tilt angles of the substrate with respect to the incident beam, directly from the 3D PDF of the sample. A real-space equivalent of the reciprocal-space pole figure is defined in terms of interatomic vectors in the PDF and computed for various interatomic vectors in the Pt film. Furthermore, it is shown how a valid isotropic PDF may be obtained from a weighted average over the tilt series, including the measurement conditions for the best approximant to the isotropic PDF from a single exposure, which for the case of the fiber-textured film was in a nearly grazing incidence orientation of ∼10°. Finally, an open-source Python software package, FouriGUI, is described that may be used to help in studies of texture from 3D reciprocal-space data, and indeed for Fourier transforming and visualizing 3D PDF data in general.
abstractGer	An approach is described for studying texture in nanostructured materials. The approach implements the real-space texture pair distribution function (PDF), txPDF, laid out by Gong & Billinge {(2018). arXiv:1805.10342 [cond-mat]}. It is demonstrated on a fiber-textured polycrystalline Pt thin film. The approach uses 3D PDF methods to reconstruct the orientation distribution function of the powder crystallites from a set of diffraction patterns, taken at different tilt angles of the substrate with respect to the incident beam, directly from the 3D PDF of the sample. A real-space equivalent of the reciprocal-space pole figure is defined in terms of interatomic vectors in the PDF and computed for various interatomic vectors in the Pt film. Furthermore, it is shown how a valid isotropic PDF may be obtained from a weighted average over the tilt series, including the measurement conditions for the best approximant to the isotropic PDF from a single exposure, which for the case of the fiber-textured film was in a nearly grazing incidence orientation of ∼10°. Finally, an open-source Python software package, FouriGUI, is described that may be used to help in studies of texture from 3D reciprocal-space data, and indeed for Fourier transforming and visualizing 3D PDF data in general.
abstract_unstemmed	An approach is described for studying texture in nanostructured materials. The approach implements the real-space texture pair distribution function (PDF), txPDF, laid out by Gong & Billinge {(2018). arXiv:1805.10342 [cond-mat]}. It is demonstrated on a fiber-textured polycrystalline Pt thin film. The approach uses 3D PDF methods to reconstruct the orientation distribution function of the powder crystallites from a set of diffraction patterns, taken at different tilt angles of the substrate with respect to the incident beam, directly from the 3D PDF of the sample. A real-space equivalent of the reciprocal-space pole figure is defined in terms of interatomic vectors in the PDF and computed for various interatomic vectors in the Pt film. Furthermore, it is shown how a valid isotropic PDF may be obtained from a weighted average over the tilt series, including the measurement conditions for the best approximant to the isotropic PDF from a single exposure, which for the case of the fiber-textured film was in a nearly grazing incidence orientation of ∼10°. Finally, an open-source Python software package, FouriGUI, is described that may be used to help in studies of texture from 3D reciprocal-space data, and indeed for Fourier transforming and visualizing 3D PDF data in general.
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title_short	Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film
url	https://doi.org/10.1107/S2052252522006674 https://doaj.org/article/950592e528bf48b194e54a6ceef07bf0 http://scripts.iucr.org/cgi-bin/paper?S2052252522006674 https://doaj.org/toc/2052-2525
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author2	Songsheng Tao ZiZhou Gong Martin v. Zimmermann Dorota Koziej Ann-Christin Dippel Simon J. L. Billinge
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Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film

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