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Author |
Lobato, I.; De Backer, A.; Van Aert, S. |
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Title |
Real-time simulations of ADF STEM probe position-integrated scattering cross-sections for single element fcc crystals in zone axis orientation using a densely connected neural network |
Type |
A1 Journal Article |
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Year |
2023 |
Publication  |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
251 |
Issue |
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Pages |
113769 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Quantification of annular dark field (ADF) scanning transmission electron microscopy (STEM) images in terms
of composition or thickness often relies on probe-position integrated scattering cross sections (PPISCS). In
order to compare experimental PPISCS with theoretically predicted ones, expensive simulations are needed for
a given specimen, zone axis orientation, and a variety of microscope settings. The computation time of such
simulations can be in the order of hours using a single GPU card. ADF STEM simulations can be efficiently
parallelized using multiple GPUs, as the calculation of each pixel is independent of other pixels. However, most
research groups do not have the necessary hardware, and, in the best-case scenario, the simulation time will
only be reduced proportionally to the number of GPUs used. In this manuscript, we use a learning approach and
present a densely connected neural network that is able to perform real-time ADF STEM PPISCS predictions as
a function of atomic column thickness for most common face-centered cubic (fcc) crystals (i.e., Al, Cu, Pd, Ag,
Pt, Au and Pb) along [100] and [111] zone axis orientations, root-mean-square displacements, and microscope
parameters. The proposed architecture is parameter efficient and yields accurate predictions for the PPISCS
values for a wide range of input parameters that are commonly used for aberration-corrected transmission
electron microscopes. |
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Wos |
001011617200001 |
Publication Date |
2023-06-01 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.2 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S. Van Aert). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G034621N and G0A7723N) and a postdoctoral grant to A. De Backer. S. Van Aert acknowledges funding from the University of Antwerp Research fund (BOF), Belgium. |
Approved |
Most recent IF: 2.2; 2023 IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:197275 |
Serial |
8812 |
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Author |
Şentürk, DG.; Yu, CP.; De Backer, A.; Van Aert, S. |
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Title |
Atom counting from a combination of two ADF STEM images |
Type |
A1 Journal Article |
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Year |
2024 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
255 |
Issue |
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Pages |
113859 |
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Keywords |
A1 Journal Article; Atomic resolution scanning transmission electron microscopy; Atom counting; Heterogeneous nanostructures; Multivariate Gaussian mixture model; 4D STEM; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
To understand the structure–property relationship of nanostructures, reliably quantifying parameters, such as the number of atoms along the projection direction, is important. Advanced statistical methodologies have made it possible to count the number of atoms for monotype crystalline nanoparticles from a single ADF STEM image. Recent developments enable one to simultaneously acquire multiple ADF STEM images. Here, we present an extended statistics-based method for atom counting from a combination of multiple statistically independent ADF STEM images reconstructed from non-overlapping annular detector collection regions which improves the accuracy and allows one to retrieve precise atom-counts, especially for images acquired with low electron doses and multiple element structures. |
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Wos |
001089064200001 |
Publication Date |
2023-09-23 |
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ISSN |
0304-3991 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.2 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S. Van Aert). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G034621N, G0A7723N, and EOS 40007495) and a postdoctoral grant to A. De Backer. S. Van Aert acknowledges funding from the University of Antwerp Research fund (BOF). |
Approved |
Most recent IF: 2.2; 2024 IF: 2.843 |
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Call Number |
EMAT @ emat @c:irua:201008 |
Serial |
8964 |
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Author |
Şentürk, D.G.; De Backer, A.; Van Aert, S. |
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Title |
Element specific atom counting for heterogeneous nanostructures: Combining multiple ADF STEM images for simultaneous thickness and composition determination |
Type |
A1 Journal Article |
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Year |
2024 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
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Volume |
259 |
Issue |
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Pages |
113941 |
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Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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Abstract |
In this paper, a methodology is presented to count the number of atoms in heterogeneous nanoparticles based on the combination of multiple annular dark field scanning transmission electron microscopy (ADF STEM) images. The different non-overlapping annular detector collection regions are selected based on the principles of optimal statistical experiment design for the atom-counting problem. To count the number of atoms, the total intensities of scattered electrons for each atomic column, the so-called scattering cross-sections, are simultaneously compared with simulated library values for the different detector regions by minimising the squared differences. The performance of the method is evaluated for simulated Ni@Pt and Au@Ag core-shell nanoparticles. Our approach turns out to be a dose efficient alternative for the investigation of beam-sensitive heterogeneous materials as compared to the combination of ADF STEM and energy dispersive X-ray spectroscopy. |
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Wos |
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Publication Date |
2024-02-19 |
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ISSN |
0304-3991 |
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Additional Links |
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Impact Factor |
2.2 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S. Van Aert). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0346.21N, GOA7723N, and EOS 40007495) and a postdoctoral grant to A. De Backer. S. Van Aert acknowledges funding from the University of Antwerp Research fund (BOF). |
Approved |
Most recent IF: 2.2; 2024 IF: 2.843 |
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Call Number |
EMAT @ emat @ |
Serial |
8996 |
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Author |
Klingstedt, M.; Sundberg, M.; Eriksson, L.; Haigh, S.; Kirkland, A.; Grüner, D.; de Backer, A.; Van Aert, S.; Tarasaki, O. |
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Title |
Exit wave reconstruction from focal series of HRTEM images, single crystal XRD and total energy studies on SbxWO3+y (x\sim0.11) |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Zeitschrift für Kristallographie |
Abbreviated Journal |
Z Krist-Cryst Mater |
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Volume |
227 |
Issue |
6 |
Pages |
341-349 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A new tungsten bronze in the SbWO system has been prepared in a solid state reaction from Sb2O3, WO3 and W metal powder. The average structure was determined by single crystal X-ray diffraction. SbxWO3+y (x ∼ 0.11) crystallizes in the orthorhombic space group Pm21n (no. 31), a = 27.8135(9) Å, b = 7.3659(2) Å and c = 3.8672(1) Å. The structure belongs to the (n)-ITB class of intergrowth tungsten bronzes. It contains slabs of hexagonal channels formed by six WO6 octahedra. These slabs are separated by three layers of WO6 octahedra that are arranged in a WO3-type fashion. The WO6 octahedra share all vertices to build up a three-dimensional framework. The hexagonal channels are filled with Sb atoms to ∼80% and additional O atoms. The atoms are shifted out of the center of the channels. Exit-wave reconstruction of focal series of high resolution-transmission-electron-microscope (HRTEM) images combined with statistical paramäeter estimation techniques allowed to study local ordering in the channels. Sb atoms in neighbouring channels tend to be displaced in the same direction, which is in agreement with total energy calculations on ordered structure models, but the ratio of the occupation of the two possible Sb sites varies from channel to channel. The structure of SbxWO3+y exhibits pronounced local modulations. |
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Place of Publication |
München |
Editor |
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Wos |
000307314200003 |
Publication Date |
2012-06-06 |
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ISSN |
2194-4946; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.179 |
Times cited |
4 |
Open Access |
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Notes |
Fwo; Esteem 026019 |
Approved |
Most recent IF: 3.179; 2012 IF: NA |
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Call Number |
UA @ lucian @ c:irua:101218 |
Serial |
1131 |
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