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One of the most powerful approaches to imaging at the nanometer or subnanometer length scale is coherent diffraction imaging using X-ray sources. For amorphous (non-crystalline) samples, the raw data can be interpreted as the modulus of the…

数值分析 · 数学 2020-04-02 Alexander Barnett , Charles L. Epstein , Leslie Greengard , Jeremy Magland

The use of coherent x-ray beams has been greatly developing for the past decades. They are now used by a wide scientific community to study biological materials, phase transitions in crystalline materials, soft matter, magnetism, strained…

材料科学 · 物理学 2010-09-01 V. L. R. Jacques , S. Ravy , D. Le Bolloc'h , E. Pinsolle , M. Sauvage-Simkin , F. Livet

We propose and demonstrate a new phase retrieval method for imaging through random media. Although methods to recover the Fourier amplitude through random distortions are well established, recovery of the Fourier phase has been a more…

光学 · 物理学 2021-05-14 Byungjae Hwang , Taeseong Woo , Cheolwoo Ahn , Jung-Hoon Park

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…

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…

化学物理 · 物理学 2026-03-26 Tomas André , Alfredo Bellisario , Nicusor Timneanu , Carl Caleman

Ubiquitous to most molecular scattering methods is the challenge to retrieve bond distance and angle from the scattering signals since this requires convergence of pattern matching algorithms or fitting methods. This problem is typically…

Phase-retrieval from coded diffraction patterns (CDP) is important to X-ray crystallography, diffraction tomography and astronomical imaging, yet remains a hard, non-convex inverse problem. We show that CDP recovery can be reformulated…

We applied the analysis of x-ray intensity angular correlation function to dilute ensembles of identical spinel crystals. Firstly, we show that the angular correlation from measured diffraction patterns with many crystals per shot converges…

材料科学 · 物理学 2017-01-27 Yun Zhao

We present a general analytic approach to spatially resolve the nano-scale lattice distortion field of strained and defected compact crystals with Bragg coherent x-ray diffraction imaging (BCDI). Our approach relies on fitting a…

Small displacement methods have been successfully used to calculate the lattice dynamical properties of crystals. It involves displacing atoms by a small amount in order to calculate the induced forces on all atoms in a supercell for the…

材料科学 · 物理学 2020-10-16 Chee Kwan Gan , Yun Liu , Tze Chien Sum , Kedar Hippalgaonkar

The population of dislocation defects in a crystalline material strongly influences its properties, so the ability to analyse this population in experimental samples is of great utility. As a complement to direct counting in the…

材料科学 · 物理学 2022-05-02 C P Race , T Ungar , G Ribarik

In Bragg Coherent Diffraction Imaging (BCDI), Phase Retrieval of highly strained crystals is often challenging with standard iterative algorithms. This computational obstacle limits the potential of the technique as it precludes the…

Iterative phase retrieval algorithms typically employ projections onto constraint subspaces to recover the unknown phases in the Fourier transform of an image, or, in the case of x-ray crystallography, the electron density of a molecule.…

数值分析 · 数学 2025-10-20 Veit Elser

Coherent diffraction imaging enables the imaging of individual defects, such as dislocations or stacking faults, in materials.These defects and their surrounding elastic strain fields have a critical influence on the macroscopic properties…

We propose efficient algorithms based on a band-limited version of 2D synchrosqueezed transforms to extract mesoscopic and microscopic information from atomic crystal images. The methods analyze atomic crystal images as an assemblage of…

数值分析 · 数学 2015-09-22 Haizhao Yang , Jianfeng Lu , Lexing Ying

We introduce a rapid data acquisition and reconstruction method to image the crystalline structure of materials and associated strain and orientations at micrometer resolution using Laue diffraction. Our method relies on scanning a…

材料科学 · 物理学 2022-09-15 Doga Gursoy , Dina Sheyfer , Michael Wojcik , Wenjun Liu , Jonathan Z. Tischler

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…

光学 · 物理学 2015-06-16 Gero Friesecke , Richard D. James , Dominik Jüstel

Machine learning is attracting surging interest across nearly all scientific areas by enabling the analysis of large datasets and the extraction of scientific information from incomplete data. Data-driven science is rapidly growing,…

应用物理 · 物理学 2025-03-17 Sung Yun Lee , Do Hyung Cho , Chulho Jung , Daeho Sung , Daewoong Nam , Sangsoo Kim , Changyong Song

We present an alternative numerical reconstruction algorithm for direct tomographic reconstruction of a sample refractive indices from the measured intensities of its far-field coherent diffraction patterns. We formulate the well-known…

计算物理 · 物理学 2019-02-06 T. Ramos , Bastian E. Grønager , Martin Skovgaard Andersen , J. W. Andreasen

Digital images from crystals, as projected from the third spatial dimension and recorded in atomic resolution with any kind of real-world microscope, feature necessarily broken symmetries of the translation-periodicity-restricted Euclidean…

材料科学 · 物理学 2025-11-25 Tyler Bortel , Peter Moeck