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In this work, we explored data acquisition protocols and improved data reduction protocols using PDFgetX3 to obtain reliable data for atomic pair distribution function (PDF) analysis from a laboratory-based Mo x-ray source. A variable…

This paper explores the development and testing of a simple absorption correction model for processing x-ray powder diffraction data from Debye-Scherrer geometry laboratory x-ray experiments. This may be used as a pre-processing step before…

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

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…

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

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 validate the use of matrix factorization for the automatic identification of relevant components from atomic pair distribution function (PDF) data. We also present a newly developed software infrastructure for analyzing the PDF data…

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.…

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

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 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 present three new sets of next-to-leading order parton distribution functions (PDFs) determined by global fits to a wide variety of data for hard scattering processes. The analysis includes target mass and higher twist corrections needed…

High Energy Physics - Phenomenology · Physics 2013-05-15 J. F. Owens , A. Accardi , W. Melnitchouk

Many crystalline materials show chemical short range order and relaxation of neighboring atoms. Local structural information can be obtained by analyzing the atomic pair distribution function (PDF) obtained from powder diffraction data. In…

Materials Science · Physics 2007-05-23 Th. Proffen , V. Petkov , S. J. L. Billinge , T. Vogt

The atomic pair distribution function (PDF) for nano-particles has to be corrected with a shape factor, also known as form factor, in order to take size and shape effects into consideration. For most anisotropic shapes an analytical…

Materials Science · Physics 2016-02-26 Dung-Trung Tran , Gunnar Svensson , Cheuk-Wai Tai

We show that the information gained in spectroscopic experiments regarding the number and distribution of atomic environments can be used as a valuable constraint in the refinement of the atomic-scale structures of nanostructured or…

Materials Science · Physics 2015-05-14 Matthew J Cliffe , Martin T. Dove , D. A. Drabold , Andrew L. Goodwin

We present a discussion on the methods for extracting a given parameter from measurements of hadronic data, with particular focus on determinations of the strong coupling constant. We show that when the PDF dependency on the determination…

High Energy Physics - Phenomenology · Physics 2018-02-15 Zahari Kassabov

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…

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

Parton distribution functions play a pivotal role in hadron collider phenomenology. They are non-perturbative quantities extracted from fits to available data, and their scale dependence is dictated by the DGLAP evolution equations. In this…

High Energy Physics - Phenomenology · Physics 2024-08-08 Salvador A. Ochoa-Oregon , David F. Rentería-Estrada , Roger J. Hernández-Pinto , German F. R. Sborlini , Pia Zurita
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