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@ARTICLE{Shen:610716,
      author       = {Shen, Zhou and Awel, Salah and Barty, Anton and Bean,
                      Richard and Bielecki, Johan and Bergemann, Martin and
                      Daurer, Benedikt J. and Ekeberg, Tomas and Estillore,
                      Armando D. and Fangohr, Hans and Giewekemeyer, Klaus and
                      Hunter, Mark S. and Karnevskiy, Mikhail and Kirian, Richard
                      A. and Kirkwood, Henry and Kim, Yoonhee and Koliyadu,
                      Jayanath and Lange, Holger and Letrun, Romain and Lübke,
                      Jannik and Mall, Abhishek and Michelat, Thomas and Morgan,
                      Andrew J. and Roth, Nils and Samanta, Amit K. and Sato,
                      Tokushi and Sikorski, Marcin and Schulz, Florian and
                      Vagovic, Patrik and Wollweber, Tamme and Worbs, Lena and
                      Xavier, Paul Lourdu and Maia, Filipe R. N. C. and Horke,
                      Daniel A. and Küpper, Jochen and Mancuso, Adrian P. and
                      Chapman, Henry N. and Ayyer, Kartik and Loh, N. Duane},
      title        = {{R}esolving non-equilibrium shape variations amongst
                      millions of gold nanoparticles},
      reportid     = {PUBDB-2024-04693, arXiv:2401.04896},
      year         = {2024},
      abstract     = {Nanoparticles, exhibiting functionally relevant structural
                      heterogeneity, are at the forefront of cutting-edge
                      research. Now, high-throughput single-particle imaging (SPI)
                      with x-ray free-electron lasers (XFELs) creates
                      unprecedented opportunities for recovering the shape
                      distributions of millions of particles that exhibit
                      functionally relevant structural heterogeneity. To realize
                      this potential, three challenges have to be overcome: (1)
                      simultaneous parametrization of structural variability in
                      real and reciprocal spaces; (2) efficiently inferring the
                      latent parameters of each SPI measurement; (3) scaling up
                      comparisons between $10^5$ structural models and $10^6$
                      XFEL-SPI measurements. Here, we describe how we overcame
                      these three challenges to resolve the non-equilibrium shape
                      distributions within millions of gold nanoparticles imaged
                      at the European XFEL. These shape distributions allowed us
                      to quantify the degree of asymmetry in these particles,
                      discover a relatively stable `shape envelope' amongst
                      nanoparticles, discern finite-size effects related to
                      shape-controlling surfactants, and extrapolate
                      nanoparticles' shapes to their idealized thermodynamic
                      limit. Ultimately, these demonstrations show that XFEL SPI
                      can help transform nanoparticle shape characterization from
                      anecdotally interesting to statistically meaningful.},
      cin          = {FS-CFEL-CMI / CFEL-I / UNI/CUI / UNI/EXP},
      cid          = {I:(DE-H253)FS-CFEL-CMI-20220405 /
                      I:(DE-H253)CFEL-I-20161114 / $I:(DE-H253)UNI_CUI-20121230$ /
                      $I:(DE-H253)UNI_EXP-20120731$},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / DFG project 390715994 - EXC 2056: CUI: Advanced
                      Imaging of Matter (390715994) / DFG project 194651731 - EXC
                      1074: Hamburger Zentrum für ultraschnelle Beobachtung
                      (CUI): Struktur, Dynamik und Kontrolle von Materie auf
                      atomarer Skala (194651731) / AXSIS - Frontiers in Attosecond
                      X-ray Science: Imaging and Spectroscopy (609920)},
      pid          = {G:(DE-HGF)POF4-631 / G:(GEPRIS)390715994 /
                      G:(GEPRIS)194651731 / G:(EU-Grant)609920},
      experiment   = {EXP:(DE-H253)XFEL-SPB-20150101},
      typ          = {PUB:(DE-HGF)25},
      eprint       = {2401.04896},
      howpublished = {arXiv:2401.04896},
      archivePrefix = {arXiv},
      SLACcitation = {$\%\%CITATION$ = $arXiv:2401.04896;\%\%$},
      doi          = {10.3204/PUBDB-2024-04693},
      url          = {https://bib-pubdb1.desy.de/record/610716},
}