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Title: Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals

Abstract

Bragg coherent diffractive imaging (BCDI) is a noninvasive microscopy technique that can visualize the shape and internal lattice deviations of crystals with nanoscale spatial resolution and picometer deformation sensitivity. Its strain imaging capability relies on Fourier transform–based iterative phase retrieval algorithms, which are mostly developed under the kinematical approximation. Such approximation prohibits the application of BCDI on larger crystals, which are commonly seen in most emerging functional materials. Understanding the dynamical effect in BCDI, as well as developing a validated method for modeling BCDI at the dynamical diffraction limit, is crucial for applying BCDI to hierarchical systems that contain micron-sized crystals and grains. Thus we report a comparative study on the impact of dynamical diffraction effects by comparing the reconstruction results from two measurements of the same crystal. Forward simulation is implemented to show subtle changes of interference fringes in the diffraction pattern due to the dynamical diffraction, and is compared directly with the experimental data.

Authors:
ORCiD logo [1];  [1];  [2];  [2];  [1];  [1]
  1. Brookhaven National Laboratory (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
  2. Argonne National Laboratory (ANL), Lemont, IL (United States)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1961776
Alternate Identifier(s):
OSTI ID: 1901452
Report Number(s):
BNL-224117-2023-JAAM
Journal ID: ISSN 2469-9950; TRN: US2313037
Grant/Contract Number:  
SC0012704; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B
Additional Journal Information:
Journal Volume: 106; Journal Issue: 18; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; crystal structures; coherent x-ray scattering; x-ray diffraction; x-ray imaging

Citation Formats

Gao, Yuan, Huang, Xiaojing, Harder, Ross, Cha, Wonsuk, Williams, Garth J., and Yan, Hanfei. Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals. United States: N. p., 2022. Web. doi:10.1103/physrevb.106.184111.
Gao, Yuan, Huang, Xiaojing, Harder, Ross, Cha, Wonsuk, Williams, Garth J., & Yan, Hanfei. Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals. United States. https://doi.org/10.1103/physrevb.106.184111
Gao, Yuan, Huang, Xiaojing, Harder, Ross, Cha, Wonsuk, Williams, Garth J., and Yan, Hanfei. Wed . "Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals". United States. https://doi.org/10.1103/physrevb.106.184111. https://www.osti.gov/servlets/purl/1961776.
@article{osti_1961776,
title = {Modeling and experimental validation of dynamical effects in Bragg coherent x-ray diffractive imaging of finite crystals},
author = {Gao, Yuan and Huang, Xiaojing and Harder, Ross and Cha, Wonsuk and Williams, Garth J. and Yan, Hanfei},
abstractNote = {Bragg coherent diffractive imaging (BCDI) is a noninvasive microscopy technique that can visualize the shape and internal lattice deviations of crystals with nanoscale spatial resolution and picometer deformation sensitivity. Its strain imaging capability relies on Fourier transform–based iterative phase retrieval algorithms, which are mostly developed under the kinematical approximation. Such approximation prohibits the application of BCDI on larger crystals, which are commonly seen in most emerging functional materials. Understanding the dynamical effect in BCDI, as well as developing a validated method for modeling BCDI at the dynamical diffraction limit, is crucial for applying BCDI to hierarchical systems that contain micron-sized crystals and grains. Thus we report a comparative study on the impact of dynamical diffraction effects by comparing the reconstruction results from two measurements of the same crystal. Forward simulation is implemented to show subtle changes of interference fringes in the diffraction pattern due to the dynamical diffraction, and is compared directly with the experimental data.},
doi = {10.1103/physrevb.106.184111},
journal = {Physical Review. B},
number = 18,
volume = 106,
place = {United States},
year = {Wed Nov 30 00:00:00 EST 2022},
month = {Wed Nov 30 00:00:00 EST 2022}
}

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