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Emerging coherent X-ray scattering patterns of single particles have shown dominant morphological signatures in agreement with predictions of the scattering model used for conventional protein crystallography. The key question is if and to…

Biomolecules · Quantitative Biology 2014-07-28 Aliakbar Jafarpour

X-ray diffraction from molecules in the ground state produces an image of their charge density, and time-resolved X-ray diffraction can thus monitor the motion of the nuclei. However, the density change of excited valence electrons upon…

Chemical Physics · Physics 2018-06-15 Jérémy R. Rouxel , Markus Kowalewski , Kochise Bennett , Shaul Mukamel

The challenge of imaging low-density objects in an electron microscope without causing beam damage is significant in modern TEM. This is especially true for life science imaging, where the sample, rather than the instrument, still…

Optics · Physics 2025-01-29 Francisco Vega Ibáñez , Jo Verbeeck

Powder X-ray diffraction analysis is a critical component of materials characterization methodologies. Discerning characteristic Bragg intensity peaks and assigning them to known crystalline phases is the first qualitative step of…

Materials Science · Physics 2023-04-12 Jaimie Greasley , Patrick Hosein

Fourier Ptychography is a recently proposed imaging technique that yields high-resolution images by computationally transcending the diffraction blur of an optical system. At the crux of this method is the phase retrieval algorithm, which…

Computer Vision and Pattern Recognition · Computer Science 2018-05-10 Lokesh Boominathan , Mayug Maniparambil , Honey Gupta , Rahul Baburajan , Kaushik Mitra

We propose an efficient algorithm to analyze $3D$ atomic resolution crystal images based on a fast $3D$ synchrosqueezed wave packet transform. The proposed algorithm can automatically extract microscopic information from $3D$ atomic…

Numerical Analysis · Mathematics 2018-11-14 Tao Zhang , Ling Li , Haizhao Yang

X-ray Bragg coherent diffraction imaging has been demonstrated as a powerful three-dimensional (3D) microscopy approach for the investigation of sub-micrometer-scale crystalline particles. It is based on the measurement of a series of…

During the last few years, serial electron crystallography (Serial Electron Diffraction, SerialED) has been gaining attention for the structure determination of crystalline compounds that are sensitive to the irradiation of the electron…

Materials Science · Physics 2025-07-29 Sergi Plana-Ruiz , Penghan Lu , Govind Ummethala , Rafal Dunin-Borkowski

Inelastic x-ray scattering (IXS) now a widely used technique for studying the dynamics of electrons in condensed matter. We previously posed a solution to the phase problem for IXS [P. Abbamonte, et. al., Phys. Rev. Lett. {\bf 92}, 237401…

Strongly Correlated Electrons · Physics 2013-05-29 P. Abbamonte , J. P. Reed , Y. I. Joe , Yu Gan , D. Casa

The X-ray free electron lasers (XFEL) can enable diffractive structural determination of protein crystals or single molecules that are too radiation-sensitive for conventional X-ray analysis. However the electronic form factor could have…

Quantum Physics · Physics 2017-01-30 Zheng Li , Nikita Medvedev , Henry Chapman , Yanhua Shih

We propose a method for realizing true, real-space imaging of charge dynamics in a periodic system, with angstrom spatial resolution and attosecond time resolution. In this method, inelastic x-ray scattering (IXS) is carried out with a…

Strongly Correlated Electrons · Physics 2015-06-05 Yu Gan , Anshul Kogar , Peter Abbamonte

Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides structural flexibility and thus access to material…

We solve the orientation recovery of a tumbling protein in the gas phase from single-event measurements of the spatial positions of its ions after an X-ray laser induced explosion. We simulate diffracted X-ray signal and ion dynamics under…

Chemical Physics · Physics 2026-03-26 Tomas André , Alfredo Bellisario , Nicusor Timneanu , Carl Caleman

Ultrafast electron diffraction and time-resolved serial crystallography are the basis of the ongoing revolution in capturing at the atomic level of detail the structural dynamics of molecules. However, most experiments employ the classical…

Visualization of internal deformation fields in crystalline materials helps bridge the gap between theoretical models and practical applications. Applying Bragg coherent diffraction imaging under X-ray dynamical diffraction conditions…

Applied Physics · Physics 2025-12-29 Longlong Wu , David Yang , Wei Wang , Shinjae Yoo , Ross J. Harder , Wonsuk Cha , Aiguo Li , Ian K. Robinson

Serial crystallography experiments routinely produce thousands of diffraction patterns from crystals in random orientations. To turn this stream of images into a usable dataset, each pattern must be indexed before integration and merging…

Computational Physics · Physics 2025-12-01 Marc M Nasser , Frédéric Poitevin , Kevin M Dalton

Electron microscopy techniques are instrumental in the characterization of energy storage materials, with atomic resolution images providing the detailed structural features that are needed to understand their properties. Atomically…

Materials Science · Physics 2026-04-21 Ninon Scherz , Shashwat Anand , Colin Ophus , Tucker Holstun , Mary Scott , Tara P. Mishra , Gerbrand Ceder

In this paper, a new phase-retrieval algorithm from an X-ray schlieren image is proposed. The schlieren method allows phase-contrast imaging with an objective lens and a knife-edge filter placed at the back focal plane of the objective.…

Emerging coherent X-ray scattering patterns of single-particles have shown dominant morphological signatures in agreement with predictions of the scattering model used for conventional protein crystallography. The key question is if and to…

Biomolecules · Quantitative Biology 2014-07-28 Aliakbar Jafarpour