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Title: Atomistic three-dimensional coherent x-ray imaging of nonbiological systems

Journal Article · · Physical Review A
 [1];  [2];  [3];  [3];  [4];  [5]
  1. Argonne National Lab. (ANL), Argonne, IL (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States). Leadership Computing Facility
  3. Hungarian Academy of Sciences, Budapest (Hungary). Wigner Research Centre for Physics, Inst. for Solid State Physics and Optics
  4. Argonne National Lab. (ANL), Argonne, IL (United States); Northwestern Univ., Evanston, IL (United States). Dept. of Physics
  5. Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of Chicago, IL (United States). James Franck Inst., Dept. of Physics

We computationally study the resolution limits for three-dimensional coherent x-ray diffractive imaging of heavy, nonbiological systems using Ar clusters as a prototype. We treat electronic and nuclear dynamics on an equal footing and remove the frozen-lattice approximation often used in electronic damage studies. We explore the achievable resolution as a function of pulse parameters (fluence level, pulse duration, and photon energy) and particle size. The contribution of combined lattice and electron dynamics is not negligible even for 2 fs pulses, and the Compton scattering is less deleterious than in biological systems for atomic-scale imaging. Although free-electron scattering represents a significant background, we find that recovery of the original structure is in principle possible with 3 angstrom resolution for particles of 11 nm diameter.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Research Development and Innovation Office of Hungary (NKFIH)
Grant/Contract Number:
AC02-06CH11357; K115504
OSTI ID:
1368073
Alternate ID(s):
OSTI ID: 1335197
Journal Information:
Physical Review A, Vol. 94, Issue 6; ISSN 2469-9926
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 14 works
Citation information provided by
Web of Science

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Cited By (9)

The role of transient resonances for ultra-fast imaging of single sucrose nanoclusters journal January 2020
Roadmap of ultrafast x-ray atomic and molecular physics journal January 2018
Violation of centrosymmetry in time-resolved coherent x-ray diffraction from rovibrational states of diatomic molecules journal March 2019
Towards the theoretical limitations of X-ray nanocrystallography at high intensity: the validity of the effective-form-factor description journal September 2018
Refinement for single-nanoparticle structure determination from low-quality single-shot coherent diffraction data journal January 2020
Incorporating particle symmetry into orientation determination in single-particle imaging journal August 2018
Roadmap of ultrafast x-ray atomic and molecular physics text January 2019
Towards the theoretical limitations of X-ray nanocrystallography at high intensity: the validity of the effective-form-factor description text January 2018
Roadmap of ultrafast x-ray atomic and molecular physics text January 2018

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