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An image plate (IP) detector coupled with high energy synchrotron radiation was used for atomic pair distribution function (PDF) analysis, with high probed momentum transfer \Qmax $\leq 28.5$ \RAA from crystalline materials. Materials with…

We examine the equations to obtain atomic pair distribution functions (PDFs) from x-ray, neutron and electron powder diffraction data with a view to obtaining reliable and accurate PDFs from the raw data using a largely \emph{ad hoc}…

Materials Science · Physics 2012-11-20 Christopher L. Farrow , Simon J. L. Billinge

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

The design and performance of the new Cold Neutron Chopper Spectrometer (CNCS) at the Spallation Neutron Source in Oak Ridge are described. CNCS is a direct geometry inelastic time-of-flight spectrometer, designed to cover essentially the…

Instrumentation and Detectors · Physics 2015-05-30 G. Ehlers , A. Podlesnyak , J. L. Niedziela , E. B. Iverson

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

We extends pair distribution function (PDF) analysis into the small-angle scattering (SAS) regime and describe the data collection protocol for optimum data quality. We also present the PDFgetS3 software package that can be readily used to…

The atomic pair distribution functions (PDF) of four powder samples of YBa2Cu3O6+x (x=0.25, 0.45, 0.65, 0.94) at 15 K have been measured by means of pulsed neutron diffraction. The PDF is modelled using a full-profile fitting approach to…

Superconductivity · Physics 2009-10-31 M. Gutmann , S. J. L. Billinge , E. L. Brosha , G. H. Kwei

We report the first example of magnetic pair distribution function (mPDF) data obtained through use of neutron polarization analysis. Using the antiferromagnetic semiconductor MnTe as a test case, we present high-quality mPDF data collected…

Materials Science · Physics 2023-01-03 Benjamin A. Frandsen , Raju Baral , Barry Winn , V. Ovidiu Garlea

In this article we obtain a new set of nuclear parton distribution functions (nuclear PDFs) at next-to-leading order and next-to-next-to-leading order accuracy in perturbative QCD. The common nuclear deep-inelastic scattering (DIS) data…

High Energy Physics - Phenomenology · Physics 2021-08-17 Hamzeh Khanpour , Maryam Soleymaninia , S. Atashbar Tehrani , Hubert Spiesberger , Vadim Guzey

The availability of neutron spallation-source instruments that provide total scattering powder diffraction has led to an increased application of real-space structure analysis using the pair distribution function. Currently, the analytical…

Materials Science · Physics 2007-05-23 Rafael C. Howell , Thomas Proffen , Steven D. Conradson

We present new sets of nuclear parton distribution functions (nPDFs) at next-to-leading order (NLO) and next-to-next-to-leading order (NNLO). Our analyses are based on deeply inelastic scattering data with charged-lepton and neutrino beams…

High Energy Physics - Phenomenology · Physics 2019-12-17 Marina Walt , Ilkka Helenius , Werner Vogelsang

The first eight years of operation of the Cold Neutron Chopper Spectrometer (CNCS) at the Spallation Neutron Source in Oak Ridge is being reviewed. The instrument has been part of the facility user program since 2009, and more than 250…

Instrumentation and Detectors · Physics 2016-10-12 Georg Ehlers , Andrey A. Podlesnyak , Alexander I. Kolesnikov

Equations for the reduced structure function and atomic pair distribution function (PDF) of a textured polycrystalline sample are formulated in terms of the orientational distribution function (ODF) and the structure function from a single…

Materials Science · Physics 2018-05-29 Zizhou Gong , Simon J. L. Billinge

The xPDFsuite software program is described. It is for processing and analyzing atomic pair distribution functions (PDF) from X-ray powder diffraction data. It provides a convenient GUI for SrXplanr and PDFgetX3, allowing the users to…

Materials Science · Physics 2015-02-25 Xiaohao Yang , Pavol Juhas , Christopher L. Farrow , Simon J. L. Billinge

Nanocrystalline n-AlO(OH) (Disperal P2(R) of Sasol) was investigated by means of the atomic pair distribution function (PDF). The PDF is derived from powder diffraction data, an ideally resolved PDF is obtained from a synchrotron source…

Materials Science · Physics 2008-04-24 Stefan Bruehne , Saskia Gottlieb , Wolf Assmus , Edith Alig , Martin U. Schmidt

We introduce a computer program to simulate the results of neutron powder-diffraction experiments at the High Flux Isotope Reactor at Oak Ridge National Laboratory. The program is freely available as a web application at…

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

Double parton distribution functions (dPDFs) represent a tool to explore the 3D partonic structure of the proton. They can be measured in high energy proton-proton and proton nucleus collisions and encode information on how partons inside a…

High Energy Physics - Phenomenology · Physics 2018-04-04 Matteo Rinaldi

We present a method for predicting the space group of a structure given a calculated or measured atomic pair distribution function (PDF) from that structure. The method utilizes machine learning models trained on more than 100,000 PDFs…

Materials Science · Physics 2019-10-21 Chia-Hao Liu , Yunzhe Tao , Daniel Hsu , Qiang Du , Simon J. L. Billinge

Neutrino Deep Inelastic Scattering on nuclei is an essential process to constrain the strange quark parton distribution functions in the proton. The critical component on the way to using the neutrino DIS data in a proton PDF analysis is…

High Energy Physics - Phenomenology · Physics 2015-05-20 K. Kovarik
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