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The spherically averaged structure function $\soq$ obtained from pulsed neutron powder diffraction contains both elastic and inelastic scattering via an integral over energy. The Fourier transformation of $\soq$ to real space, as is done in…

Materials Science · Physics 2016-08-31 D. A. Dimitrov , D. Louca , H. Röder

Here we show explicitly the relationship between the functions used in the atomic pair distribution function (PDF) method and those commonly used in small angle scattering (SAS) analyses. The origin of the sloping baseline, $-4\pi r\rho_0$,…

Materials Science · Physics 2009-04-13 Christopher L. Farrow , Simon J. L. Billinge

We develop an efficient numerical method for calculating the image stress field induced by spherical voids in materials. The method is applied to dislocation-void interactions in dislocation dynamics simulations. We obtain a complete set of…

Computational Physics · Physics 2019-02-14 Yifan Wang , Xiaohan Zhang , Wei Cai

SUePDF is a graphic-user-interface program written in MATLAB to achieve quantitative pair distribution functions (PDF) from electron diffraction data. The program facilitates the structural studies of amorphous materials and small…

Materials Science · Physics 2017-08-24 Dung Trung Tran , Gunnar Svensson , Cheuk-Wai Tai

High real-space resolution atomic pair distribution functions (PDF)s from the alloy series Ga_1-xIn_xAs have been obtained using high-energy x-ray diffraction. The first peak in the PDF is resolved as a doublet due to the presence of two…

Materials Science · Physics 2012-03-28 V. Petkov , I-K. Jeong , J. S. Chung , M. F. Thorpe , S. Kycia , S. J. L. Billinge

Recent microscopy imaging techniques allow to precisely analyze cell morphology in 3D image data. To process the vast amount of image data generated by current digitized imaging techniques, automated approaches are demanded more than ever.…

Computer Vision and Pattern Recognition · Computer Science 2020-10-26 Dennis Eschweiler , Malte Rethwisch , Simon Koppers , Johannes Stegmaier

The paper describes an extension of the Liga algorithm for structure solution from atomic pair distribution function (PDF), to handle periodic crystal structures with multiple elements in the unit cell. The procedure is performed in 2…

Structure-property relationships in ordered materials have long been a core principle in materials design. However, the intentional introduction of disorder into materials provides structural flexibility and thus access to material…

Optical second harmonic generation is a second-order nonlinear process that combines two photons of a given frequency into a third photon at twice the frequency. Due to the symmetry constraints, it is widely used as a sensitive probe to…

Fluctuations of the soft X-ray background are investigated using harmonic analysis. A section of the ROSAT All-Sky Survey around the north galactic pole is used. The flux distribution is expanded into a set of harmonic functions and the…

Astrophysics · Physics 2009-11-07 W. Sliwa , A. M. Soltan , M. J. Freyberg

The paper is concerned with the inverse scattering problem for Maxwell's equations in three dimensional anisotropic periodic media. We study a new imaging functional for fast and stable reconstruction of the shape of anisotropic periodic…

Numerical Analysis · Mathematics 2023-06-05 Dinh-Liem Nguyen , Trung Truong

Here we explore the use of scanning electron diffraction coupled with electron atomic pair distribution function analysis (ePDF) to understand the local order as a function of position in a complex multicomponent system, a hot rolled,…

Transverse and longitudinal electroweak gauge boson parton distribution functions (PDFs) are computed in terms of deep-inelastic scattering structure functions, following the recently developed method to determine the photon PDF. The…

High Energy Physics - Phenomenology · Physics 2018-05-18 Bartosz Fornal , Aneesh V. Manohar , Wouter J. Waalewijn

A mesoscopic model for shear plasticity of amorphous materials in two dimensions is introduced, and studied through numerical simulations in order to elucidate the macroscopic (large scale) mechanical behavior. Plastic deformation is…

Soft Condensed Matter · Physics 2012-05-17 Mehdi Talamali , Viljo Petäjä , Damien Vandembroucq , Stéphane Roux

This paper is concerned with the inverse scattering problem for the three-dimensional Maxwell's equations in bi-anisotropic periodic structures. The inverse scattering problem aims to determine the shape of bi-anisotropic periodic…

Numerical Analysis · Mathematics 2020-08-25 Dinh-Liem Nguyen , Trung Truong

Linear polarization analysis of hard x-rays is employed to probe electronic anisotropies in metal-containing complexes with very high selectivity. We use the pronounced linear dichroism of nuclear resonant x-ray scattering to determine…

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

Powder X-ray Diffraction (PXRD) and Pair Distribution Function (PDF) analysis are well-established techniques for investigation of atomic configurations in crystalline materials, and the two are related by a Fourier transformation. In PXRD…

Materials Science · Physics 2021-06-17 Jonas Beyer , Nikolaj Roth , Bo Brummerstedt Iversen

The goal of this study is to determine a set of diffractive parton distribution function (diffractive PDFs) from a QCD analysis of all available and up-to-date diffractive deep inelastic scattering (diffractive DIS) data sets from HERA $ep$…

High Energy Physics - Phenomenology · Physics 2019-04-02 Hamzeh Khanpour

The fundamental measure approach to classical density functional theory has been shown to be a powerful tool to predict various thermodynamic properties of hard-sphere systems. We employ this approach to determine not only one-particle…

Soft Condensed Matter · Physics 2015-11-02 Andreas Härtel , Matthias Kohl , Michael Schmiedeberg