Diffractive Image Reconstruction Utilizing Molecular Dynamics Enabling Near Atomic Resolution

Meziere, Jason; Pateras, Anastasios; Harder, Ross; Sandberg, Richard Lunt

doi:10.1364/3d.2023.jtu4a.13

Diffractive Image Reconstruction Utilizing Molecular Dynamics Enabling Near Atomic Resolution

Conference · 01 January 2023 · Optica Imaging Congress (3D, COSI, DH, FLatOptics, IS, pcAOP)

DOI:https://doi.org/10.1364/3d.2023.jtu4a.13· OSTI ID:2479618

Meziere, Jason ^[1]; Pateras, Anastasios ^[2]; Harder, Ross ^[2]; ^[3]

Brigham Young University, Provo, UT (United States); Argonne National Laboratory (ANL), Argonne, IL (United States); Brigham Young University
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Argonne National Laboratory (ANL), Argonne, IL (United States)
Brigham Young University, Provo, UT (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)

We present a new algorithm for coherent x-ray imaging that combines error minimization and molecular dynamics. We show reconstructed atomic positions from Bragg peaks off simulated 2D nanocrystals and how these converge with atomic resolution.

Research Organization:: Brigham Young University, Provo, UT (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

DOE Contract Number:: SC0022133; AC02-06CH11357

OSTI ID:: 2479618

Conference Information:: Journal Name: Optica Imaging Congress (3D, COSI, DH, FLatOptics, IS, pcAOP)

Country of Publication:: United States

Language:: English

References (6)

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Beyond crystallography: Diffractive imaging using coherent x-ray light sources Miao, J.; Ishikawa, T.; Robinson, I. K. Science, Vol. 348, Issue 6234 https://doi.org/10.1126/science.aaa1394	journal	April 2015
X-ray image reconstruction from a diffraction pattern alone Marchesini, S.; He, H.; Chapman, H. N. Physical Review B, Vol. 68, Issue 14 https://doi.org/10.1103/PhysRevB.68.140101	journal	October 2003
Phase Retrieval with Application to Optical Imaging: A contemporary overview Shechtman, Yoav; Eldar, Yonina C.; Cohen, Oren IEEE Signal Processing Magazine, Vol. 32, Issue 3 https://doi.org/10.1109/MSP.2014.2352673	journal	May 2015
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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
X-ray imaging
coherence
molecular dynamics

Diffractive Image Reconstruction Utilizing Molecular Dynamics Enabling Near Atomic Resolution

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