. 2022 Aug;287(2):93-104.

doi: 10.1111/jmi.13127. Epub 2022 Jun 13.

ToTEM: A software for fast TEM image simulation

P J Yuan¹, K P Wu², S W Chen², D L Zhang³, C H Jin^{1

4}, Y Yao⁵, F Lin²

Affiliations

¹ Hunan Institute of Advanced Sensing and Information Technology, Xiangtan University, Xiangtan, Hunan, China.
² College of Electronic Engineering, South China Agricultural University, Guangzhou, Guangdong, China.
³ Institute of Advanced Interdisciplinary Studies, Chongqing University, Chongqing, China.
⁴ State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou, Zhejiang, China.
⁵ Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Science, Beijing, China.

PMID: 35638306
DOI: 10.1111/jmi.13127

ToTEM: A software for fast TEM image simulation

P J Yuan et al. J Microsc. 2022 Aug.

. 2022 Aug;287(2):93-104.

doi: 10.1111/jmi.13127. Epub 2022 Jun 13.

Authors

P J Yuan¹, K P Wu², S W Chen², D L Zhang³, C H Jin^{1

4}, Y Yao⁵, F Lin²

Affiliations

¹ Hunan Institute of Advanced Sensing and Information Technology, Xiangtan University, Xiangtan, Hunan, China.
² College of Electronic Engineering, South China Agricultural University, Guangzhou, Guangdong, China.
³ Institute of Advanced Interdisciplinary Studies, Chongqing University, Chongqing, China.
⁴ State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou, Zhejiang, China.
⁵ Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Science, Beijing, China.

PMID: 35638306
DOI: 10.1111/jmi.13127

Abstract

ToTEM, a multislice-based image simulation software is developed for transmission electron microscope (TEM). This software implements the following major features: (i) capability of assigning three-dimensional potentials of atom into multiple slices and precise introduction of phase shift caused by the sub-pixel atomic position, (ii) employing CUDA coding and graphical processing units (GPU) with multithreading parallel algorithm based on the powerful batch (inverse) fast Fourier transform (FFT), which is especially beneficial for image simulation of scanning transmission electron microscopy (STEM) or (integrated) differential phase contrast (I)DPC, (iii) design for efficiently generating large batch of data set of high-resolution transmission electron microscopy (HRTEM) images. Image simulation acceleration for STEM has been verified by simulating a large-scale SrTiO₃ . Additionally, iDPC image of MFI-type zeolites with xylene molecules encapsulated in straight channels demonstrates the advantage of iDPC in detecting light molecules.

Keywords: (I)DPC simulation; CUDA coding; STEM simulation; TEM simulation; high efficiency; software.

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References

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ToTEM: A software for fast TEM image simulation

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ToTEM: A software for fast TEM image simulation

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