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Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…

Materials Science · Physics 2024-07-09 Stefano Racioppi , Alberto Otero De la Roza , Samad Hajinazar , Eva Zurek

Single-shot coherent diffractive imaging (CDI) using intense XUV and soft X-ray pulses holds the promise to deliver information on the three dimensional shape as well as the optical properties of nano-scale objects in a single diffraction…

Optics · Physics 2025-11-25 Paul Tuemmler , Julia Apportin , Thomas Fennel , Christian Peltz

Molecular Dynamics (MD) simulations are a powerful tool for studying matter at the atomic scale. However, to simulate solids, an initial atomic structure is crucial for the successful execution of MD simulations, but can be difficult to…

Computational Physics · Physics 2024-11-27 Lars Dammann , Richard Kohns , Patrick Huber , Robert H. Meißner

This paper presents a new method to model X-ray scattering on random rough surfaces. It combines the approaches we presented in two previous papers -- \zs\cite{zhao03} \& \pz\cite{zhao15}. An actual rough surface is (incompletely) described…

Classical Physics · Physics 2017-04-13 Ping Zhao

We present Frequency Marching, FM, an algorithm that refines three-dimensional electron density distributions from solution X-ray scattering data in both the small- and wide-angle regimes. This algorithm is based on a series of optimization…

Biological Physics · Physics 2020-12-25 Yen-Lin Chen , Lois Pollack

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

Established x-ray diffraction methods allow for high-resolution structure determination of crystals, crystallized protein structures or even single molecules. While these techniques rely on coherent scattering, incoherent processes like…

To enhance the reflectivity of X-ray mirrors beyond the critical angle, multilayer coatings are required. Interface imperfections in the multilayer growth process are known to cause non-specular scattering and degrade the mirror optical…

Optics · Physics 2013-04-05 B. Salmaso , D. Spiga , R. Canestrari , L. Raimondi

The influence of edge roughness in angle resolved scatterometry at periodically structured surfaces is investigated. A good description of the radiation interaction with structured surfaces is crucial for the understanding of optical…

Optics · Physics 2012-09-11 A. Kato , S. Burger , F. Scholze

X-ray phase-contrast imaging enhances soft tissue visualization by leveraging the phase shift of X-rays passing through materials. It permits to minimize radiation exposure due to high contrast, as well as high resolution imaging limited by…

Optics · Physics 2024-03-13 Emilie Pietersoone , Jean Michel Létang , Simon Rit , Max Langer

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

Inverse design of large-area metasurfaces can potentially exploit the full parameter space that such devices offer and achieve highly efficient multifunctional flat optical elements. However, since practically useful flat optics elements…

Multi-MeV flash radiography is often used as the primary diagnostic technique for high energy and density (HED) physics experiments. Primary X-ray which is attenuated by the object offers density information of the object. For a thick metal…

Applied Physics · Physics 2021-12-02 Qinggang Jia , Peng-Cheng Mao , Yang-Bo , Dun-Fu Shi , Ling-Yu Zhang , Deng-Li , Hai-Bo Xu

The scattering patterns near the primary rainbow of oblate drops are simulated by extending the vectorial complex ray model (VCRM) [1] to three-dimensional (3D) calculations. With the curvature of wavefront as intrinsic property of a ray,…

Optics · Physics 2021-09-28 Qingwei Duan , F. Onofri , Xiang'e Han , Kuan Fang Ren

Diffuse scattering is a rich source of information about disorder in crystalline materials, which can be modelled using atomistic techniques such as Monte Carlo and molecular dynamics simulations. Modern X-ray and neutron scattering…

Materials Science · Physics 2018-12-21 Joseph A. M. Paddison

We carried out simulations of crystal truncation rod (CTR) scatterings, i.e., one of the surface X-ray diffraction techniques with atomic resolution, from a monolayer He film adsorbed on graphite. Our simulations reveal that the 00L rod…

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

This is the first article in a series of two dealing with a matrix approach for aberration quantification and correction in ultrasound imaging. Advanced synthetic beamforming relies on a double focusing operation at transmission and…

Applied Physics · Physics 2022-12-06 William Lambert , Justine Robin , Laura A. Cobus , Mathias Fink , Alexandre Aubry

In this work we present an alternative way to look at electron diffraction in a transmission electron microscope. In stead of writing the scattering amplitude in Fourier space as a set of plane waves, we use the cylindrical Fourier…

Instrumentation and Detectors · Physics 2015-11-13 Roeland Juchtmans , Jo Verbeeck
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