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Unveiling local atomic bonding and packing of amorphous nanophases via independent component analysis facilitated pair distribution function

Mu, Xiaoke 1; Chen, Leyi 1,2; Mikut, Ralf ORCID iD icon 2; Hahn, Horst 1; Kübel, Christian ORCID iD icon 1,3
1 Institut für Nanotechnologie (INT), Karlsruher Institut für Technologie (KIT)
2 Institut für Automation und angewandte Informatik (IAI), Karlsruher Institut für Technologie (KIT)
3 Karlsruhe Nano Micro Facility (KNMF), Karlsruher Institut für Technologie (KIT)


Amorphous nanophases play a significant role for the properties of a variety of nanoscale heterogeneous materials. Experimental characterization of the atomic arrangement of the amorphous structure, including nanoscale structural variations, is one of the main challenges limiting the rational design of the materials. Here, an approach to characterize local bonding and atomic packing in complex nanomaterials is introduced. Building on scanning transmission electron microscopy (STEM) and pair distribution function analysis (PDF) to record local diffraction information with nanometer spatial resolution, we show that independent component analysis for “blind source separation” of mixed information due to projection effects in STEM-PDF, enables full separation of these signals. The unprecedented information allows determining the structure of individual nanoscale phases and identifying the compounds inside. We analyzed a FeZr/ZrO2 multilayer as proof of principle, and discovered differently coordinated FeOx in the interfacial region. The approach was applied to Fe25Sc75 nanoglass and revealed Fe–Fe bonding concealed in the Sc-rich matrix. ... mehr

Verlagsausgabe §
DOI: 10.5445/IR/1000133274
Veröffentlicht am 25.05.2021
DOI: 10.1016/j.actamat.2021.116932
Zitationen: 12
Web of Science
Zitationen: 11
Zitationen: 13
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Angewandte Informatik (IAI)
Institut für Automation und angewandte Informatik (IAI)
Institut für Nanotechnologie (INT)
Karlsruhe Nano Micro Facility (KNMF)
Publikationstyp Zeitschriftenaufsatz
Publikationsmonat/-jahr 06.2021
Sprache Englisch
Identifikator ISSN: 1359-6454
KITopen-ID: 1000133274
HGF-Programm 43.35.01 (POF IV, LK 01) Platform for Correlative, In Situ & Operando Charakterizat.
Erschienen in Acta materialia
Verlag Elsevier
Band 212
Seiten Article: 116932
Nachgewiesen in Web of Science
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