$\mathrm{SIM}$-$\mathrm{STEM}$ $\mathrm{Lab}$: Incorporating Compressed Sensing Theory for Fast STEM Simulation

Robinson, Alex W.; Nicholls, Daniel; Wells, Jack; Moshtaghpour, Amirafshar; Kirkland, Angus; Browning, Nigel D.

doi:10.1016/j.ultramic.2022.113625

$$\mathrm{SIM}$$-$$\mathrm{STEM}$$ $$\mathrm{Lab}$$: Incorporating Compressed Sensing Theory for Fast STEM Simulation

Journal Article · Sun Sep 25 00:00:00 EDT 2022 · Ultramicroscopy

DOI:https://doi.org/10.1016/j.ultramic.2022.113625· OSTI ID:1923075

^[1]; Nicholls, Daniel ^[1]; Wells, Jack ^[1]; ^[2]; ^[3]; Browning, Nigel D. ^[4]

University of Liverpool (United Kingdom)
University of Liverpool (United Kingdom); Harwell Science and Innovation Campus, Didcot (United Kingdom)
Harwell Science and Innovation Campus, Didcot (United Kingdom); University of Oxford (United Kingdom)
University of Liverpool (United Kingdom); Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Sivananthan Laboratories, Bolingbrook, IL (United States)

We report recently it has been shown that precise dose control and an increase in the overall acquisition speed of atomic resolution scanning transmission electron microscope (STEM) images can be achieved by acquiring only a small fraction of the pixels in the image experimentally and then reconstructing the full image using an inpainting algorithm. In this paper, we apply the same inpainting approach (a form of compressed sensing) to simulated, sub-sampled atomic resolution STEM images. We find that it is possible to significantly sub-sample the area that is simulated, the number of g-vectors contributing the image, and the number of frozen phonon configurations contributing to the final image while still producing an acceptable fit to a fully sampled simulation. Here we discuss the parameters that we use and how the resulting simulations can be quantifiably compared to the full simulations. As with any Compressed Sensing methodology, care must be taken to ensure that isolated events are not excluded from the process, but the observed increase in simulation speed provides significant opportunities for real time simulations, image classification and analytics to be performed as a supplement to experiments on a microscope to be developed in the future

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: Engineering and Physical Sciences Research Council (EPSRC); USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1923075

Report Number(s):: PNNL-SA-181189

Journal Information:: Ultramicroscopy, Journal Name: Ultramicroscopy Vol. 242; ISSN 0304-3991

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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