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

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A new method for identifying crystalline phases in X-ray diffraction data has been proposed, which is especially useful for the study of multiphase materials (more than eight - ten phases) with a relatively low content (less than 1 - 3…

Materials Science · Physics 2021-08-17 A. D. Skorbun , S. V. Gabielkov , I. V. Zhyganiuk

Transmission electron diffraction is a powerful and versatile structural probe for the characterization of a broad range of materials, from nanocrystalline thin films to single crystals. With recent developments in fast electron detectors…

Materials Science · Physics 2021-10-06 Jian-Min Zuo , Renliang Yuan , Yu-Tsun Shao , Haw-Wen Hsiao , Saran Pidaparthy , Yang Hu , Qun Yang , Jiong Zhang

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…

Materials Science · Physics 2017-01-27 Yun Zhao

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

We present here an overview of Coherent X-ray Diffraction Imaging (CXDI) with its application to nanostructures. This imaging approach has become especially important recently due to advent of X-ray Free-Electron Lasers (XFEL) and its…

Mesoscale and Nanoscale Physics · Physics 2013-04-22 Ivan A. Vartanyants , Oleksandr M. Yefanov

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

Crystal structures can be viewed as assemblies of space-filling polyhedra, which play a critical role in determining material properties such as ionic conductivity and dielectric constant. However, most conventional crystal structure…

Materials Science · Physics 2026-03-20 Tomoyasu Yokoyama , Kazuhide Ichikawa , Hisashi Naito

Coherent X-ray Diffraction Imaging (CXDI) technique offers unique insights into the nanoscale world, enabling the reconstruction of 3D structures with a nanoscale resolution achieved through computational phase reconstruction from measured…

Computational Physics · Physics 2024-03-26 Fangzhou Ai , Oleg Shpyrko , Vitaliy Lomakin

Molecular and polymeric crystals show a wide range of functional properties that arise from the interplay between the atomic-scale structure of their constituent molecules and the organization of these molecules within the crystal lattice…

We propose an application of the Angular X-ray Cross-Correlation Analysis (AXCCA) to the scattered intensity distribution measured in three-dimensional (3D) reciprocal space from a single crystalline sample. Contrary to the conventional…

Mesoscale and Nanoscale Physics · Physics 2022-02-18 Dmitry Lapkin , Anatoly Shabalin , Janne-Mieke Meijer , Ruslan Kurta , Michael Sprung , Andrei V. Petukhov , Ivan A. Vartanyants

Coded apertures, traditionally employed in x-ray astronomy for imaging celestial objects, are now being adapted for micro-scale applications, particularly in studying microscopic specimens with synchrotron light diffraction. In this paper,…

Signal Processing · Electrical Eng. & Systems 2024-05-22 Doğa Gürsoy , Dina Sheyfer , Michael Wojcik , Wenjun Liu , Jonathan Tischler

Novel materials drive advancements in fields ranging from energy storage to electronics, with crystal structure characterization forming a crucial yet challenging step in materials discovery. In this work, we introduce \emph{deCIFer}, an…

Coherent X-ray diffraction microscopy is a method of imaging non-periodic isolated objects at resolutions only limited, in principle, by the largest scattering angles recorded. We demonstrate X-ray diffraction imaging with high resolution…

In a recent publication [D. P. Varn, G. S. Canright, and J. P. Crutchfield, Phys. Rev. B {\bf 66}:17, 156 (2002)] we introduced a new technique for discovering and describing planar disorder in close-packed structures (CPSs) directly from…

Materials Science · Physics 2007-05-23 D. P. Varn , G. S. Canright , J. P. Crutchfield

Crystal structure prediction for a given chemical composition has long been a challenge in condensed-matter science. We have recently shown that experimental powder X-ray diffraction (XRD) data are helpful in a crystal structure search…

Materials Science · Physics 2023-01-30 Seiji Yoshikawa , Ryuhei Sato , Ryosuke Akashi , Synge Todo , Shinji Tsuneyuki

One of the long-standing problems in materials science is how to predict a material's structure and then its properties given only its composition. Experimental characterization of crystal structures has been widely used for structure…

Materials Science · Physics 2022-03-29 Rongzhi Dong , Yong Zhao , Yuqi Song , Nihang Fu , Sadman Sadeed Omee , Sourin Dey , Qinyang Li , Lai Wei , Jianjun Hu

Efficiently and accurately determining the symmetry is a crucial step in the structural analysis of crystalline materials. Existing methods usually mindlessly apply deep learning models while ignoring the underlying chemical rules. More…

Machine Learning · Computer Science 2025-11-11 Liheng Yu , Zhe Zhao , Xucong Wang , Di Wu , Pengkun Wang

A growing number of shock compression experiments, especially those involving laser compression, are taking advantage of in situ x-ray diffraction as a tool to interrogate structure and microstructure evolution. Although these experiments…

The displacement field in highly non uniformly strained crystals is obtained by addition of constraints to an iterative phase retrieval algorithm. These constraints include direct space density uniformity and also constraints to the sign…

Materials Science · Physics 2009-11-11 A. A. Minkevich , M. Gailhanou , J. -S. Micha , B. Charlet , V. Chamard , O. Thomas

In crystallography, a structure is typically represented by the arrangement of atoms in the direct space. Furthermore, space group symmetry and Wyckoff site notations are applied to characterize crystal structures with only a few variables.…

Materials Science · Physics 2026-02-12 Osman Goni Ridwan , Hongfei Xue , Youxing Chen , Harish Cherukuri , Qiang Zhu