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Phases and Interfaces from Real Space Atomically Resolved Data: Physics-Based Deep Data Image Analysis.

Rama K Vasudevan1, Maxim Ziatdinov1, Stephen Jesse1

  • 1Institute for Functional Imaging of Materials and Center for Nanophase Materials Sciences, Oak Ridge National Laboratory , Oak Ridge Tennessee 37831, United States.

Nano Letters
|August 13, 2016
PubMed
Summary
This summary is machine-generated.

This study introduces a new deep data analysis method to interpret atomically resolved microscopy data. The approach reconstructs unknown structure factors, accelerating crystallographic analysis and enabling local structure-property determinations.

Keywords:
Fourier transformUnmixingatomic scale imagingcrystallographyscanning transmission electron microscopyscanning tunneling microscopy

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Area of Science:

  • Materials Science
  • Physics
  • Data Science

Background:

  • Electron and scanning probe microscopies provide high-resolution structural and electronic data.
  • Interpreting this data requires robust frameworks to link atomic structures to macroscopic properties.
  • Current methods face challenges in extracting detailed information from complex datasets.

Purpose of the Study:

  • To develop a physics-based framework for knowledge generation from atomically resolved microscopy data.
  • To create a method for reconstructing unknown structure factors and their spatial localization.
  • To enable automatic local structure-property determinations in crystalline and quasi-ordered systems.

Main Methods:

  • Synergy of sliding window Fourier transform to capture local structure factors.
  • Blind linear unmixing of the resultant 4D data set for deep data analysis.
  • Application to both synthetic and experimental electron and scanning tunneling microscopy data.

Main Results:

  • Successful reconstruction of a priori unknown structure factors of individual components.
  • Demonstration of spatial localization of these structure factors.
  • Validation of the approach using synthetic and real microscopy data.

Conclusions:

  • The developed deep data analysis method significantly speeds up crystallographic analysis in atomically resolved data.
  • This approach facilitates automatic local structure-property determinations.
  • It paves the way for understanding complex systems with competing structural and electronic orders.