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An algorithm for determining crystal structures from diffraction data is described which does not rely on the usual Fourier-space formulations of atomicity. The new algorithm implements atomicity constraints in real-space, as well as…

Condensed Matter · Physics 2007-05-23 Veit Elser

Solving crystal structures from kinematical X-ray or electron diffraction patterns of single crystals requires many more diffracted beams to be recorded than there are atoms in the structure, since the phases of the structure factors can…

Materials Science · Physics 2023-02-13 Christoph T. Koch

X-ray crystallography (XC) is an experimental technique used to determine three-dimensional crystalline structures. The acquired data in XC, called diffraction patterns, is the Fourier magnitudes of the unknown crystalline structure. To…

Image and Video Processing · Electrical Eng. & Systems 2019-07-09 Samuel Pinilla , Jorge Bacca , Cesar Vargas , Juan Carlos Poveda-Jaramillo , Henry Arguello

X-ray fluorescence holography (XFH) is a method for obtaining diffraction-limited images of the local atomic structure around a given type of emitter. The reconstructed wave-field represents a distorted image of the scatterer electron…

Condensed Matter · Physics 2009-09-29 S. Marchesini , C. S. Fadley , F. J. Garcia de Abajo

When the charge density in a crystal or a quasicrystal is reconstructed from its Fourier modes, the global minimum value of the density is sensitively dependent on the relative phases of the modes. The set of phases that maximizes the value…

Condensed Matter · Physics 2007-05-23 Veit Elser

In coherent X-ray diffraction microscopy the diffraction pattern generated by a sample illuminated with coherent x-rays is recorded, and a computer algorithm recovers the unmeasured phases to synthesize an image. By avoiding the use of a…

Phase reconstruction is important in transmission electron microscopy for structural studies. We describe electron Fourier ptychography and its application to phase reconstruction of both radiation-resistant and beam-sensitive materials. We…

We present a theoretical justification for a method of extracting of supplementary information for the phase retrieval procedure taken from diffraction of fs-pulses from X-ray Free Electron Laser facilities. The approach is based on…

Materials Science · Physics 2015-02-18 A. Leonov , D. Ksenzov , A. Benediktovitch , I. Feranchuk , U. Pietsch

While the implementation of single particle coherent diffraction imaging for non-crystalline particles is complicated by current limitations in photon flux, hit rate, and sample delivery a concept of many-particle coherent diffraction…

Disordered Systems and Neural Networks · Physics 2013-02-22 R. P. Kurta , R. Dronyak , M. Altarelli , E. Weckert , I. A. Vartanyants

Accurately determining the crystallographic structure of a material, organic or inorganic, is a critical primary step in material development and analysis. The most common practices involve analysis of diffraction patterns produced in…

The resolution of X-ray diffraction microscopy is limited by the maximum dose that can be delivered prior to sample damage. In the proposed Serial Crystallography method, the damage problem is addressed by distributing the total dose over…

Modern Flash X-ray diffraction Imaging (FXI) acquires diffraction signals from single biomolecules at a high repetition rate from X-ray Free Electron Lasers (XFELs), easily obtaining millions of 2D diffraction patterns from a single…

Image and Video Processing · Electrical Eng. & Systems 2020-10-28 Jing Liu , Stefan Engblom , Carl Nettelblad

Knowledge gained through X-ray crystallography fostered structural determination of materials and greatly facilitated the development of modern science and technology in the past century. Atomic details of sample structures is achievable by…

Optics · Physics 2016-09-14 Hong Yu , Ronghua Lu , Shensheng Han , Honglan Xie , Guohao Du , Tiqiao Xiao , Daming Zhu

X-ray single particle imaging involves the measurement of a large number of noisy diffraction patterns of isolated objects in random orientations. The missing information about these patterns is then computationally recovered in order to…

Image and Video Processing · Electrical Eng. & Systems 2020-05-25 Kartik Ayyer

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…

Numerical Analysis · Mathematics 2015-09-22 Haizhao Yang , Jianfeng Lu , Lexing Ying

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…

Numerical Analysis · Mathematics 2020-04-02 Alexander Barnett , Charles L. Epstein , Leslie Greengard , Jeremy Magland

The recently developed information-theoretic approach to crystallographic symmetry classifications and quantifications in two dimensions (2D) from digital transmission electron and scanning probe microscope images is adapted for the…

Materials Science · Physics 2022-08-10 Peter Moeck , Lukas von Koch

Single-crystal X-ray diffraction (SC-XRD) is the gold standard technique to characterize crystal structures in solid state. Despite significant advances in automation for structure solution, the refinement stage still depends heavily on…

Materials Science · Physics 2025-12-04 Wen-Lin Luo , Yi Yuan , Cheng-Hui Li , Yue Zhao , Jing-Lin Zuo

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

A method for estimating the relative content of crystalline phases of a multiphase sample, based on probabilistic analysis of the intensities of the diffraction pattern reflexes, has been developed. The method is based on the introduction…

Materials Science · Physics 2023-11-21 S. V. Gabielkov , I. V. Zhyganiuk , A. D. Skorbun
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