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The diffraction technique is widely used in the determination of crystal structures and is one of the bases for the modern science and technology. All related structure determination methods are based on the assumption that perfect single…

Materials Science · Physics 2020-08-25 Yihan Shen , Yibin Jiang , Jianhua Lin , Cheng Wang , Junliang Sun

The short pulses of X-ray free electron lasers can produce diffraction patterns with structural information before radiation damage destroys the particle. The particles are injected into the beam in random orientations and they should be…

Data Analysis, Statistics and Probability · Physics 2013-07-31 Miklós Tegze , Gábor Bortel

We reconstructed intensities in Fourier space and electron densities in the real space for an azimuthally symmetric object Nanorice particle (Iron Oxide nanoparticle) exposed in the ultrashort, bright and coherent x-ray free electron laser…

Biological Physics · Physics 2020-07-14 S. S. Kim , P. Nepal , D. K. Saldin , C. H. Yoon

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

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

Single molecule rotational correlation functions are analyzed for several reorientation geometries. Even for the simplest model of isotropic rotational diffusion our findings predict non-exponential correlation functions to be observed by…

Other Condensed Matter · Physics 2016-08-16 G. Hinze , G. Diezemann , Th. Basché

We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units.…

Atomic and Molecular Clusters · Physics 2017-08-24 Malik Muhammad Abdullah , Zoltan Jurek , Sang-Kil Son , Robin Santra

Studies of diffuse magnetic scattering largely benefit from the use of a multi-detector covering wide scattering angles. Therefore, the different contributions to the diffuse scattering that originate from magnetic, nuclear coherent, and…

Strongly Correlated Electrons · Physics 2015-05-18 Werner Schweika

The aureoles around stars caused by thin cirrus limit nighttime measurement opportunities for ground-based astronomy but can provide information on high-altitude ice crystals for climate research. In this paper we attempt to demonstrate…

Atmospheric and Oceanic Physics · Physics 2013-07-15 John G. DeVore , Joseph A. Kristl , Saul Rappaport

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…

We investigate the retrieval of spatially resolved atomic displacements via the phases of the direct(real)-space image reconstructed from the strained crystal's coherent x-ray diffraction pattern. We demonstrate that limiting the spatial…

Materials Science · Physics 2014-07-16 A. A. Minkevich , M. Köhl , S. Escoubas , O. Thomas , T. Baumbach

In a recent article (P.Wochner et al., PNAS (2009)) x-ray scattering intensity correlations around a ring, in the speckle diffraction pattern of a colloidal glass, were shown to display a remarkable ~ cos(n $\phi$) dependence on the angular…

Disordered Systems and Neural Networks · Physics 2011-07-08 M. Altarelli , R. P. Kurta , I. A. Vartanyants

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

Crystalline phase structure is essential for understanding the performance and properties of a material. Therefore, this study identified and quantified the crystalline phase structure of a sample based on the diffraction pattern observed…

Materials Science · Physics 2023-09-27 Ryo Murakami , Yoshitaka Matsushita , Kenji Nagata , Hayaru Shouno , Hideki Yoshikawa

Orientation mapping is a widely used technique for revealing the microstructure of a polycrystalline sample. The crystalline orientation at each point in the sample is determined by analysis of the diffraction pattern, a process known as…

Mathematical Physics · Physics 2017-10-11 Peter Mahler Larsen , Søren Schmidt

The orbital angular momentum conservation of light reveals different diffraction patterns univocally dependent on the topological charge of the incident light beam when passing through a triangular aperture. It is demonstrated that these…

Very short pulses of x-ray free-electron lasers opened the way to obtain diffraction signal from single particles beyond the radiation dose limit. For 3D structure reconstruction many patterns are recorded in the object's unknown…

Data Analysis, Statistics and Probability · Physics 2011-05-11 Gábor Bortel , Miklós Tegze

We explore data reduction and correction steps and processed data reproducibility in the emerging single crystal total scattering based technique of three-dimensional differential atomic pair distribution function (3D-$\Delta$PDF) analysis.…

The in situ synchrotron high-energy X-ray powder diffraction (XRD) technique is highly utilized by researchers to analyze the crystallographic structures of materials in functional devices (e.g., battery materials) or in complex sample…

Image and Video Processing · Electrical Eng. & Systems 2022-12-16 Howard Yanxon , James Weng , Hannah Parraga , Wenqian Xu , Uta Ruett , Nicholas Schwarz

Solving crystal structures from powder X-ray diffraction (XRD) is a central challenge in materials characterization. In this work, we study the powder XRD-to-structure mapping using gradient descent optimization, with the goal of recovering…

Materials Science · Physics 2025-12-04 Nofit Segal , Akshay Subramanian , Mingda Li , Benjamin Kurt Miller , Rafael Gomez-Bombarelli