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Abstract
This paper introduces a 3D convolutional neural network (CNN) for rapid and accurate defect classification in nanocrystals using Bragg coherent X-ray diffraction patterns (CXDPs). The CNN is trained on simulated CXDPs generated from thousands of atomistic configurations of nanocrystals with various defects (screw and edge dislocations). The network successfully predicts the presence and type of dislocations, paving the way for automated defect recognition in materials science.
Publisher
npj Computational Materials
Published On
Jul 21, 2021
Authors
Bruce Lim, Ewen Bellec, Maxime Dupraz, Steven Leake, Andrea Resta, Alessandro Coati, Michael Sprung, Ehud Almog, Eugen Rabkin, Tobias Schülli, Marie-Ingrid Richard
Tags
3D convolutional neural network
defect classification
nanocrystals
Bragg coherent X-ray diffraction
automated defect recognition
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