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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 frst neutron powder diffraction based atomic pair distribution functions (PDFs) are reported from the new wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source at Oak Ridge National Laboratory. The spectrometer…

Materials Science · Physics 2009-06-19 E. S. Bozin , P. Juhas , W. Zhou , M. B. Stone , D. L. Abernathy , A. Huq , S. J. L. Billinge

The finite size effects of the nanoparticles to the atomic pair distribution functions (PDF) are discussed by calculating the radial distribution functions (RDF) on nanoparticles with various shapes, such as sheet, belt, rod, tube and…

Materials Science · Physics 2007-05-23 K. Kodama , S. Iikubo , S. Shamoto

Quantitatively reliable atomic pair distribution functions (PDFs) have been obtained from nanomaterials in a straightforward way from a standard laboratory transmission electron microscope (TEM). The approach looks very promising for making…

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 size-dependent structure of CdSe nanoparticles, with diameters ranging from 2 to 4 nm, has been studied using the atomic pair distribution function (PDF) method. The core structure of the measured CdSe nanoparticles can be described in…

Soft Condensed Matter · Physics 2009-11-13 A. S. Masadeh , E. Bozin , C. L. Farrow , G. Paglia , P. Juhas , A. Karkamkar , M. G. Kanatzidis , S. J. L. Billinge

Small-Angle Scattering (SAS) investigates structures in samples that generally range from approximately 0.5 nm to a few 100 nm. This can both be done for isotropic samples such as blends and liquids, as well as anisotropic samples such as…

Instrumentation and Detectors · Physics 2023-09-22 Sebastian Jaksch

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

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

The molecular rearrangements of most fluids under flow and deformation do not directly follow the macroscopic strain field. In this work, we describe a phenomenological method for characterizing such non-affine deformation via the…

Soft Condensed Matter · Physics 2018-01-17 Guan-Rong Huang , Bin Wu , Yangyang Wang , Wei-Ren Chen

An x-ray scattering approach to determine the two-dimensional (2D) pair distribution function (PDF) in partially ordered 2D systems is proposed. We derive relations between the structure factor and PDF that enable quantitative studies of…

Soft Condensed Matter · Physics 2016-09-21 I. A. Zaluzhnyy , R. P. Kurta , A. P. Menushenkov , B. I. Ostrovskii , I. A. Vartanyants

A new approach is presented to obtain candidate structures from atomic pair distribution function (PDF) data in a highly automated way. It fetches, from web-based structural databases, all the structures meeting the experimenter's search…

Materials Science · Physics 2020-05-07 Long Yang , Pavol Juhás , Maxwell W. Terban , Matthew G. Tucker , Simon J. L. Billinge

Small-angle scattering (SAS) is a key experimental technique for analyzing nano-scale structures in various materials.In SAS data analysis, selecting an appropriate mathematical model for the scattering intensity is critical, as it…

Data Analysis, Statistics and Probability · Physics 2024-01-22 Yui Hayashi , Shun Katakami , Shigeo Kuwamoto , Kenji Nagata , Masaichiro Mizumaki , Masato Okada

We present the first world-wide inter-laboratory comparison of small-angle X-ray scattering (SAXS) for nanoparticle sizing. The measurands in this comparison are the mean particle radius, the width of the size distribution and the particle…

Data Analysis, Statistics and Probability · Physics 2017-08-22 Brian R. Pauw , Claudia Kästner , Andreas F. Thünemann

Small-angle X-ray and neutron scattering experiments are used in many fields of the life sciences and condensed matter research to obtain answers to questions about the shape and size of nano-sized structures, typically in the range of 1 to…

Data Analysis, Statistics and Probability · Physics 2015-06-10 Ingo Breßler , Joachim Kohlbrecher , Andreas F. Thünemann

The parton distributions functions (PDFs) derived from the NNLO QCD analysis of existing light-targets deep-inelastic-scattering data are presented. The NLO and NNLO PDFs are compared in order to analyze perturbative stability of the…

High Energy Physics - Phenomenology · Physics 2007-05-23 S. Alekhin

Shape2SAS is a web application that allows researchers and students to build intuition and understanding of small-angle scattering. It is available at https://somo.chem.utk.edu/shape2sas. The user defines a model of arbitrary shape by…

Intrinsically Disordered Proteins (IDPs) perform a broad range of biological functions. Their relevance has motivated intense research activity seeking to characterize their sequence/structure/function relationships. However, the…

A general spherical harmonics method is described for extracting anisotropic pair distribution functions (PDF) in this work. In the structural study of functional crystallized materials, the investigation of the local structures under the…

Materials Science · Physics 2022-07-05 Guanjie Zhang , Hui Liu , Jun Chen , He Lin , Nan Zhang

We present a general method for the reconstruction of the one-point Probability Distribution Function of the local aperture mass in weak lensing maps. Exact results, that neglect the lens-lens coupling and departure form the Born…

Astrophysics · Physics 2007-05-23 F. Bernardeau , P. Valageas
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