Mapping mesoscopic phase evolution during E-beam induced transformations via deep learning of atomically resolved images

Rama K. Vasudevan, Nouamane Laanait, Erik M. Ferragut, Kai Wang, David B. Geohegan, Kai Xiao, Maxim Ziatdinov, Stephen Jesse, Ondrej Dyck, Sergei V. Kalinin

Research output: Contribution to journalArticlepeer-review

37 Scopus citations

Abstract

Understanding transformations under electron beam irradiation requires mapping the structural phases and their evolution in real time. To date, this has mostly been a manual endeavor comprising difficult frame-by-frame analysis that is simultaneously tedious and prone to error. Here, we turn toward the use of deep convolutional neural networks (DCNN) to automatically determine the Bravais lattice symmetry present in atomically resolved images. A DCNN is trained to identify the Bravais lattice class given a 2D fast Fourier transform of the input image. Monte-Carlo dropout is used for determining the prediction probability, and results are shown for both simulated and real atomically resolved images from scanning tunneling microscopy and scanning transmission electron microscopy. A reduced representation of the final layer output allows to visualize the separation of classes in the DCNN and agrees with physical intuition. We then apply the trained network to electron beam-induced transformations in WS2, which allows tracking and determination of growth rate of voids. We highlight two key aspects of these results: (1) it shows that DCNNs can be trained to recognize diffraction patterns, which is markedly different from the typical "real image" cases and (2) it provides a method with in-built uncertainty quantification, allowing the real-time analysis of phases present in atomically resolved images.

Original languageEnglish
Article number30
Journalnpj Computational Materials
Volume4
Issue number1
DOIs
StatePublished - Dec 1 2018

Bibliographical note

Publisher Copyright:
© 2018 The Author(s).

Funding

The work was supported by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division (R.K.V., S.V.K., M.Z.). The synthesis of 2D materials was supported by the U.S. Department of Energy, Office of Science, Materials Sciences and Engineering Division (K.W., K.X., D.B.G.). This research was conducted and partially supported (S.J., O.D.) at the Center for Nanophase Materials Sciences, which is a US DOE Office of Science User Facility. N.L. acknowledges support from the lab-directed research and development program at ORNL. This research used resources of the Compute and Data Environment for Science (CADES) at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.

FundersFunder number
Center for Nanophase Materials Sciences
DOE Office of Science
Data Environment for Science
U.S. Department of Energy
Office of Science
Oak Ridge National Laboratory
Cades Foundation
Division of Materials Sciences and Engineering

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