/ORNL-DeepLearningForAtomicScaleDefectTracking

Deep Learning Analysis of Defect and Phase Evolution During Electron Beam Induced Transformations in WS2

Primary LanguageJupyter Notebook

Deep Learning Analysis of Defect and Phase Evolution During Electron Beam Induced Transformations in WS2

Supplementary code for the paper: https://arxiv.org/abs/1803.05381

In this project, we used a machine learning framework to identify, extract, cluster, analyze, and track defects in a scanning transmission electron microscopy (STEM) movie of 2D material (WS2).

This repository contains 3 notebooks.

  1. WS2_Defects_DeepLearning_gmm.ipynb is the main workflow, starting, involving:

    1.1) Generating traning set from the first frame of the image by utilizing Fast Fourier Transform subtraction (FFT-subtraction) to create labels.
    1.2) Training a fully convolutional neural network (FCNN) for defect identification.
    1.3) Extraction of defects from all frames using the trained FCNN.
    1.4) Clustering the extracted defects using a Gausian Mixture Model (GMM).
    1.5) Tracking the evolution of selected defects and calculating diffusion

  1. WS2_Defects_LocalCryst_PCA.ipynb uses clustered defects to perfrom local crystallographic analysis using principal component analysis (PCA)

  2. WS2_Defects_Markov_Transitions.ipynb uses extracted defect trajectories to calculate transition probabilities.