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Related papers: Exact Crystalline Structure Recovery in X-ray Crys…

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In this communication, we discuss how 3D information about the structure of a crystalline sample is encoded in Bragg 3DXCDI measurements. Our analysis brings to light the role of the experimental parameters in the quality of the final…

Computational Physics · Physics 2020-09-10 Marc Allain , Virginie Chamard , Stephan O. Hruszkewycz

Scientific researchers frequently use the in situ synchrotron high-energy powder X-ray diffraction (XRD) technique to examine the crystallographic structures of materials in functional devices such as rechargeable battery materials. We…

Conventional X-ray methods use incoming plane waves and result in discrete diffraction patterns when scattered at crystals. Here we find, by a systematic method, incoming waveforms which exhibit discrete diffraction patterns when scattered…

Optics · Physics 2015-06-16 Gero Friesecke , Richard D. James , Dominik Jüstel

We present a novel adaptive machine-learning based approach for reconstructing three-dimensional (3D) crystals from coherent diffraction imaging (CDI). We represent the crystals using spherical harmonics (SH) and generate corresponding…

Computational Physics · Physics 2020-12-02 Alexander Scheinker , Reeju Pokharel

Coherent X-ray beams with energies $\geq 50$ keV can potentially enable three-dimensional imaging of atomic lattice distortion fields within individual crystallites in bulk polycrystalline materials through Bragg coherent diffraction…

Speden is a computer program that reconstructs the electron density of single particles from their x-ray diffraction patterns, using a single-particle adaptation of the Holographic Method in crystallography. (Szoke, A., Szoke, H., and…

X-ray diffraction was demonstrated from shock-compressed polycrystalline metal on nanosecond time scales. Laser ablation was used to induce shock waves in polycrystalline foils of Be, 25 to 125 microns thick. A second laser pulse was used…

Other Condensed Matter · Physics 2008-01-23 Damian C. Swift

Crystalline materials used in technological applications are often complex assemblies composed of multiple phases and differently oriented grains. Robust identification of the phases and orientation relationships from these samples is…

Revealing the structure of complex biological macromolecules, such as proteins, is an essential step for understanding the chemical mechanisms that determine the diversity of their functions. Synchrotron based x-ray crystallography and…

Crystal structure determines properties of materials. With the crystal structure of a chemical substance, many physical and chemical properties can be predicted by first-principles calculations or machine learning models. Since it is…

Materials Science · Physics 2021-09-22 Wenhui Yang , Edirisuriya M. Dilanga Siriwardane , Rongzhi Dong , Yuxin Li , Jianjun Hu

We demonstrate that a common-line method can assemble a 3D oversampled diffracted intensity distribution suitable for high-resolution structure solution from a set of measured 2D diffraction patterns, as proposed in experiments with an…

Biomolecules · Quantitative Biology 2007-10-16 V. L. Shneerson , A. Ourmazd , D. K. Saldin

A solution to the inversion problem of scattering would offer aberration-free diffraction-limited 3D images without the resolution and depth-of-field limitations of lens-based tomographic systems. Powerful algorithms are increasingly being…

Electron backscatter diffraction (EBSD) is a well-established method of characterisation for crystalline materials. This technique can rapidly acquire and index diffraction patterns to provide phase and orientation information about the…

Materials Science · Physics 2019-09-04 Alexander Foden , David Collins , Angus Wilkinson , Thomas Benjamin Britton

A novel scheme for Zernike-type hard X-ray phase-contrast imaging is proposed. The scheme relies on X-ray dynamical diffraction in a two-block crystal system with parallel crystal plates of equal thickness. A phase shifter providing a…

Optics · Physics 2026-02-27 Levon Haroutunyan

Coherent X-ray photons with energies higher than 50 keV offer new possibilities for imaging nanoscale lattice distortions in bulk crystalline materials using Bragg peak phase retrieval methods. However, the compression of reciprocal space…

Signal Processing · Electrical Eng. & Systems 2018-08-14 Siddharth Maddali , Irene Calvo-Almazan , Jonathan Almer , Peter Kenesei , Jun-Sang Park , Ross Harder , Youssef Nashed , Stephan Hruszkewycz

Three-dimensional phase contrast imaging of multiply-scattering samples in X-ray and electron microscopy is extremely challenging, due to small numerical apertures, the unavailability of wavefront shaping optics, and the highly nonlinear…

Computational Physics · Physics 2021-06-02 Philipp M Pelz , Hamish G Brown , Jim Ciston , Scott D Findlay , Yaqian Zhang , Mary Scott , Colin Ophus

Multiphase powder X-ray diffraction (PXRD) analysis remains a fundamental bottleneck in structure identification, as real-world synthesis often produces complex mixtures whose constituent phases (components) cannot be reliably disentangled.…

Artificial Intelligence · Computer Science 2026-05-11 Hanyu Gao , Bin Cao , Yunyue Su , Tong-Yi Zhang , Qiang Liu

Single-shot X-ray imaging of short-lived nanostructures such as clusters and nanoparticles near a phase transition or non-crystalizing objects such as large proteins and viruses is currently the most elegant method for characterizing their…

Atomic and Molecular Clusters · Physics 2020-10-14 Thomas Stielow , Robin Schmidt , Christian Peltz , Thomas Fennel , Stefan Scheel

We demonstrate high-resolution non-iterative holographic coherent diffraction imaging with hard X-rays using a novel phase-shifting reference, fabricated by atomic layer deposition to produce nanosharp 3D structure. The method surpasses the…

Mesoscale and Nanoscale Physics · Physics 2016-10-17 Mirna Saliba , Jeroen Bosgra , Christoph Rau , Christian David , Aaron D. Parsons , Ulrich H. Wagner , Pierre Thibault

We introduce a structured illumination technique for dark-field x-ray microscopy optimized for three-dimensional imaging of ordered materials at sub-micrometer length scales. Our method utilizes a coded aperture to spatially modulate the…

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