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Title: A fast image simulation algorithm for scanning transmission electron microscopy

Image simulation for scanning transmission electron microscopy at atomic resolution for samples with realistic dimensions can require very large computation times using existing simulation algorithms. Here, we present a new algorithm named PRISM that combines features of the two most commonly used algorithms, namely the Bloch wave and multislice methods. PRISM uses a Fourier interpolation factor f that has typical values of 4-20 for atomic resolution simulations. We show that in many cases PRISM can provide a speedup that scales with f 4 compared to multislice simulations, with a negligible loss of accuracy. We demonstrate the usefulness of this method with large-scale scanning transmission electron microscopy image simulations of a crystalline nanoparticle on an amorphous carbon substrate.
Authors:
ORCiD logo [1]
  1. Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Center for Electron Microscopy and Molecular Foundry
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Published Article
Journal Name:
Advanced Structural and Chemical Imaging
Additional Journal Information:
Journal Volume: 3; Journal Issue: 1; Journal ID: ISSN 2198-0926
Publisher:
Springer
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; scanning transmission electron microscopy; electron scattering; image simulation
OSTI Identifier:
1356279
Alternate Identifier(s):
OSTI ID: 1440948

Ophus, Colin. A fast image simulation algorithm for scanning transmission electron microscopy. United States: N. p., Web. doi:10.1186/s40679-017-0046-1.
Ophus, Colin. A fast image simulation algorithm for scanning transmission electron microscopy. United States. doi:10.1186/s40679-017-0046-1.
Ophus, Colin. 2017. "A fast image simulation algorithm for scanning transmission electron microscopy". United States. doi:10.1186/s40679-017-0046-1.
@article{osti_1356279,
title = {A fast image simulation algorithm for scanning transmission electron microscopy},
author = {Ophus, Colin},
abstractNote = {Image simulation for scanning transmission electron microscopy at atomic resolution for samples with realistic dimensions can require very large computation times using existing simulation algorithms. Here, we present a new algorithm named PRISM that combines features of the two most commonly used algorithms, namely the Bloch wave and multislice methods. PRISM uses a Fourier interpolation factor f that has typical values of 4-20 for atomic resolution simulations. We show that in many cases PRISM can provide a speedup that scales with f4 compared to multislice simulations, with a negligible loss of accuracy. We demonstrate the usefulness of this method with large-scale scanning transmission electron microscopy image simulations of a crystalline nanoparticle on an amorphous carbon substrate.},
doi = {10.1186/s40679-017-0046-1},
journal = {Advanced Structural and Chemical Imaging},
number = 1,
volume = 3,
place = {United States},
year = {2017},
month = {5}
}