Identifying Defects with Guided Algorithms in Bragg Coherent Diffractive Imaging
Abstract
In this study, crystallographic defects such as dislocations can significantly alter material properties and functionality. However, imaging these imperfections during operation remains challenging due to the short length scales involved and the reactive environments of interest. Bragg coherent diffractive imaging (BCDI) has emerged as a powerful tool capable of identifying dislocations, twin domains, and other defects in 3D detail with nanometer spatial resolution within nanocrystals and grains in reactive environments. However, BCDI relies on phase retrieval algorithms that can fail to accurately reconstruct the defect network. Here, we use numerical simulations to explore different guided phase retrieval algorithms for imaging defective crystals using BCDI. We explore different defect types, defect densities, Bragg peaks, and guided algorithm fitness metrics as a function of signal-to-noise ratio. Based on these results, we offer a general prescription for phasing of defective crystals with no a prior knowledge.
- Authors:
-
[1];
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Univ. Grenoble Alpes, Grenoble (France)
- Paul Scherrer Inst. (PSI), Villigen (Switzerland)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Materials Sciences and Engineering Division
- OSTI Identifier:
- 1395865
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- Scientific Reports
- Additional Journal Information:
- Journal Volume: 7; Journal Issue: 1; Journal ID: ISSN 2045-2322
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Ulvestad, A., Nashed, Y., Beutier, G., Verdier, M., Hruszkewycz, S. O., and Dupraz, M. Identifying Defects with Guided Algorithms in Bragg Coherent Diffractive Imaging. United States: N. p., 2017.
Web. doi:10.1038/s41598-017-09582-7.
Ulvestad, A., Nashed, Y., Beutier, G., Verdier, M., Hruszkewycz, S. O., & Dupraz, M. Identifying Defects with Guided Algorithms in Bragg Coherent Diffractive Imaging. United States. https://doi.org/10.1038/s41598-017-09582-7
Ulvestad, A., Nashed, Y., Beutier, G., Verdier, M., Hruszkewycz, S. O., and Dupraz, M. Wed .
"Identifying Defects with Guided Algorithms in Bragg Coherent Diffractive Imaging". United States. https://doi.org/10.1038/s41598-017-09582-7. https://www.osti.gov/servlets/purl/1395865.
@article{osti_1395865,
title = {Identifying Defects with Guided Algorithms in Bragg Coherent Diffractive Imaging},
author = {Ulvestad, A. and Nashed, Y. and Beutier, G. and Verdier, M. and Hruszkewycz, S. O. and Dupraz, M.},
abstractNote = {In this study, crystallographic defects such as dislocations can significantly alter material properties and functionality. However, imaging these imperfections during operation remains challenging due to the short length scales involved and the reactive environments of interest. Bragg coherent diffractive imaging (BCDI) has emerged as a powerful tool capable of identifying dislocations, twin domains, and other defects in 3D detail with nanometer spatial resolution within nanocrystals and grains in reactive environments. However, BCDI relies on phase retrieval algorithms that can fail to accurately reconstruct the defect network. Here, we use numerical simulations to explore different guided phase retrieval algorithms for imaging defective crystals using BCDI. We explore different defect types, defect densities, Bragg peaks, and guided algorithm fitness metrics as a function of signal-to-noise ratio. Based on these results, we offer a general prescription for phasing of defective crystals with no a prior knowledge.},
doi = {10.1038/s41598-017-09582-7},
url = {https://www.osti.gov/biblio/1395865},
journal = {Scientific Reports},
issn = {2045-2322},
number = 1,
volume = 7,
place = {United States},
year = {2017},
month = {8}
}
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Works referenced in this record:
Inversion of the diffraction pattern from an inhomogeneously strained crystal using an iterative algorithm
journal, September 2007
- Minkevich, A. A.; Gailhanou, M.; Micha, J. -S.
- Physical Review B, Vol. 76, Issue 10
Influence of Noise and Missing Data on Reconstruction Quality in Coherent X‐ray Diffractive Imaging
conference, January 2011
- Tripathi, A.; Shpyrko, O.; McNulty, I.
- THE 10TH INTERNATIONAL CONFERENCE ON X‐RAY MICROSCOPY, AIP Conference Proceedings
Electron tomography at 2.4-ångström resolution
journal, March 2012
- Scott, M. C.; Chen, Chien-Chun; Mecklenburg, Matthew
- Nature, Vol. 483, Issue 7390
Maximum-likelihood refinement for coherent diffractive imaging
journal, June 2012
- Thibault, P.; Guizar-Sicairos, M.
- New Journal of Physics, Vol. 14, Issue 6
Three-dimensional imaging of strain in a single ZnO nanorod
journal, December 2009
- Newton, Marcus C.; Leake, Steven J.; Harder, Ross
- Nature Materials, Vol. 9, Issue 2
Signal-to-noise and radiation exposure considerations in conventional and diffraction x-ray microscopy
journal, January 2009
- Huang, Xiaojing; Miao, Huijie; Steinbrener, Jan
- Optics Express, Vol. 17, Issue 16
Synchrotron x-ray reticulography: principles and applications
journal, January 1999
- Lang, A. R.; Makepeace, A. P. W.
- Journal of Physics D: Applied Physics, Vol. 32, Issue 10A
Topological defect dynamics in operando battery nanoparticles
journal, June 2015
- Ulvestad, A.; Singer, A.; Clark, J. N.
- Science, Vol. 348, Issue 6241
Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles
journal, December 2015
- Ulvestad, A.; Welland, M. J.; Collins, S. S. E.
- Nature Communications, Vol. 6, Issue 1
Performance evaluation of Bragg coherent diffraction imaging
journal, October 2017
- Öztürk, H.; Huang, X.; Yan, H.
- New Journal of Physics, Vol. 19, Issue 10
Crystal plasticity and hardening: A dislocation dynamics study
journal, July 2009
- Gaucherin, Guillaume; Hofmann, Felix; Belnoue, Jonathan P.
- Procedia Engineering, Vol. 1, Issue 1
Electron Microscopy of Thin Crystals
journal, October 1966
- Hirsch, P. B.; Howie, A.; Nicholson, R. B.
- Physics Today, Vol. 19, Issue 10
Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers
text, January 2016
- Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Noise models for low counting rate coherent diffraction imaging
journal, January 2012
- Godard, Pierre; Allain, Marc; Chamard, Virginie
- Optics Express, Vol. 20, Issue 23
The influence of dislocations on crystal growth
journal, January 1949
- Frank, F. C.
- Discussions of the Faraday Society, Vol. 5
Atomic electron tomography: 3D structures without crystals
journal, September 2016
- Miao, J.; Ercius, P.; Billinge, S. J. L.
- Science, Vol. 353, Issue 6306
The role of dislocations and surface morphology in calcite dissolution
journal, March 1992
- MacInnis, Ian N.; Brantley, Susan L.
- Geochimica et Cosmochimica Acta, Vol. 56, Issue 3
Facing the phase problem in Coherent Diffractive Imaging via Memetic Algorithms
journal, February 2017
- Colombo, Alessandro; Galli, Davide Emilio; De Caro, Liberato
- Scientific Reports, Vol. 7, Issue 1
X-ray image reconstruction from a diffraction pattern alone
journal, October 2003
- Marchesini, S.; He, H.; Chapman, H. N.
- Physical Review B, Vol. 68, Issue 14
Nanoscale mapping of ion diffusion in a lithium-ion battery cathode
journal, August 2010
- Balke, N.; Jesse, S.; Morozovska, A. N.
- Nature Nanotechnology, Vol. 5, Issue 10
Stability Limits and Defect Dynamics in Ag Nanoparticles Probed by Bragg Coherent Diffractive Imaging
journal, February 2017
- Liu, Y.; Lopes, P. P.; Cha, W.
- Nano Letters, Vol. 17, Issue 3
Grain boundary segregation, stress and stretch: Effects on hydrogen absorption in nanocrystalline palladium
journal, February 2007
- Lemier, C.; Weissmüller, J.
- Acta Materialia, Vol. 55, Issue 4, p. 1241-1254
Imaging the displacement field within epitaxial nanostructures by coherent diffraction: a feasibility study
journal, March 2010
- Diaz, Ana; Chamard, Virginie; Mocuta, Cristian
- New Journal of Physics, Vol. 12, Issue 3
Three-dimensional imaging of dislocation dynamics during the hydriding phase transformation
journal, January 2017
- Ulvestad, A.; Welland, M. J.; Cha, W.
- Nature Materials, Vol. 16, Issue 5
How many photons are needed to reconstruct random objects in coherent X-ray diffractive imaging?
journal, January 2017
- Jahn, T.; Wilke, R. N.; Chushkin, Y.
- Acta Crystallographica Section A Foundations and Advances, Vol. 73, Issue 1
Applicability of an iterative inversion algorithm to the diffraction patterns from inhomogeneously strained crystals
journal, November 2008
- Minkevich, A. A.; Baumbach, T.; Gailhanou, M.
- Physical Review B, Vol. 78, Issue 17
Grain-Boundary-Dependent CO 2 Electroreduction Activity
journal, April 2015
- Feng, Xiaofeng; Jiang, Kaili; Fan, Shoushan
- Journal of the American Chemical Society, Vol. 137, Issue 14
Single-view phase retrieval of an extended sample by exploiting edge detection and sparsity
journal, January 2016
- Tripathi, Ashish; McNulty, Ian; Munson, Todd
- Optics Express, Vol. 24, Issue 21
In situ study of annealing-induced strain relaxation in diamond nanoparticles using Bragg coherent diffraction imaging
journal, February 2017
- Hruszkewycz, S. O.; Cha, W.; Andrich, P.
- APL Materials, Vol. 5, Issue 2
New insights into single-grain mechanical behavior from temperature-dependent 3-D coherent X-ray diffraction
journal, October 2014
- Vaxelaire, N.; Labat, S.; Cornelius, T. W.
- Acta Materialia, Vol. 78
Bragg coherent diffractive imaging of single-grain defect dynamics in polycrystalline films
journal, May 2017
- Yau, Allison; Cha, Wonsuk; Kanan, Matthew W.
- Science, Vol. 356, Issue 6339
Measurement of the displacement field of dislocations to 0.03 Å by electron microscopy
journal, May 2003
- Hÿtch, Martin J.; Putaux, Jean-Luc; Pénisson, Jean-Michel
- Nature, Vol. 423, Issue 6937
Phase retrieval algorithms: a comparison
journal, January 1982
- Fienup, J. R.
- Applied Optics, Vol. 21, Issue 15
Enhanced hardening in Cu/330 stainless steel multilayers by nanoscale twinning
journal, February 2004
- Zhang, X.; Misra, A.; Wang, H.
- Acta Materialia, Vol. 52, Issue 4
Visualizing and Improving the Robustness of Phase Retrieval Algorithms
journal, January 2015
- Tripathi, Ashish; Leyffer, Sven; Munson, Todd
- Procedia Computer Science, Vol. 51
X-Ray topographs of diamond
journal, May 1944
- Ramachandran, G. N.
- Proceedings of the Indian Academy of Sciences - Section A, Vol. 19, Issue 5
High-resolution three-dimensional structural microscopy by single-angle Bragg ptychography
journal, November 2016
- Hruszkewycz, S. O.; Allain, M.; Holt, M. V.
- Nature Materials, Vol. 16, Issue 2
Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study
journal, April 2015
- Dupraz, Maxime; Beutier, Guillaume; Rodney, David
- Journal of Applied Crystallography, Vol. 48, Issue 3
Coherent diffractive imaging of time-evolving samples with improved temporal resolution
journal, May 2016
- Ulvestad, A.; Tripathi, A.; Hruszkewycz, S. O.
- Physical Review B, Vol. 93, Issue 18
Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers
journal, June 2016
- Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.
- Nature Communications, Vol. 7, Issue 1
Multiscale modelling of indentation in FCC metals: From atomic to continuum
journal, April 2010
- Chang, Hyung-Jun; Fivel, Marc; Rodney, David
- Comptes Rendus Physique, Vol. 11, Issue 3-4
Retrieving the displacement of strained nanoobjects: the impact of bounds for the scattering magnitude in direct space
journal, January 2013
- Köhl, Martin; Schroth, Philipp; Minkevich, A. A.
- Optics Express, Vol. 21, Issue 23
Defect-Rich Metal Nanocrystals in Catalysis
journal, December 2015
- Xie, Shuifen; Xu, Qingchi; Huang, Xiaoqing
- ChemCatChem, Vol. 8, Issue 3
Method for the Detection of Dislocations in Silicon by X-Ray Extinction Contrast
journal, June 1958
- Newkirk, J. B.
- Physical Review, Vol. 110, Issue 6
Three-dimensional imaging of dislocation propagation during crystal growth and dissolution
journal, June 2015
- Clark, Jesse N.; Ihli, Johannes; Schenk, Anna S.
- Nature Materials, Vol. 14, Issue 8
Novel silica stabilization method for the analysis of fine nanocrystals using coherent X-ray diffraction imaging
journal, June 2016
- Monteforte, Marianne; Estandarte, Ana K.; Chen, Bo
- Journal of Synchrotron Radiation, Vol. 23, Issue 4
X-Ray topographs of diamond
journal, May 1944
- Ramachandran, G. N.
- Proceedings of the Indian Academy of Sciences - Section A, Vol. 19, Issue 5
Works referencing / citing this record:
Nucleation-Controlled Plasticity of Metallic Nanowires and Nanoparticles
journal, July 2018
- Mordehai, Dan; David, Omer; Kositski, Roman
- Advanced Materials, Vol. 30, Issue 41
Bragg coherent diffraction imaging of iron diffusion into gold nanocrystals
journal, November 2018
- Estandarte, Ana Katrina C.; Lynch, Christopher Michael; Monteforte, Marianne
- New Journal of Physics, Vol. 20, Issue 11
Nanoscale imaging of the full strain tensor of specific dislocations extracted from a bulk sample
journal, January 2020
- Hofmann, Felix; Phillips, Nicholas W.; Das, Suchandrima
- Physical Review Materials, Vol. 4, Issue 1