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We demonstrate spatial mapping of the local and nano-scale structure of thin film objects using spatially resolved PDF analysis of synchrotron x-ray diffraction data. This is demonstrated in a lab-on-chip combinatorial array of sample spots…

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

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

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

The open-source python package diffpy.mpdf, part of the DiffPy suite for diffraction and pair distribution function analysis, provides a user-friendly approach for performing magnetic pair distribution function (mPDF) analysis. The package…

The crystallographic texture is a key organization feature of many technical and biological materials. In these materials, especially hierarchically structured ones, the preferential alignment of the nano constituents is heavily influencing…

Using a suite of self-similar cosmological simulations, we measure the probability distribution functions (PDFs) of real-space density, redshift-space density, and their geometric mean. We find that the real-space density PDF is…

Cosmology and Nongalactic Astrophysics · Physics 2022-04-27 Huanqing Chen , Nickolay Y. Gnedin , Philip Mansfield

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…

We employ the LuxQED approach to compute the polarized photon PDF (photon pPDF). This approach expresses the pPDF in terms of the structure functions $g_1$ and $g_2$. Different models for the structure functions are employed according to…

High Energy Physics - Phenomenology · Physics 2024-10-30 Daniel de Florian , Lucas Palma Conte , Gabriel Fernando Volonnino

Mathematical models based on probability density functions (PDF) have been extensively used in hydrology and subsurface flow problems, to describe the uncertainty in porous media properties (e.g., permeability modelled as random field).…

Fluid Dynamics · Physics 2020-06-01 Matteo Icardi , Marco Dentz

We present a determination of the non-singlet transversity parton distribution function (PDF) of the nucleon, normalized with respect to the tensor charge at $\mu^2=2$ GeV$^2$ from lattice quantum chromodynamics. We apply the…

PDFgetX3 is a new software application for converting X-ray powder diffraction data to atomic pair distribution function (PDF). PDFgetX3 has been designed for ease of use, speed and automated operation. The software can readily process…

Materials Science · Physics 2013-03-15 Pavol Juhas , Timur Davis , Christopher L. Farrow , Simon J. L. Billinge

Exploiting the emerging nanoscale periodicities in epitaxial, single-crystal thin films is an exciting direction in quantum materials science: confinement and periodic distortions induce novel properties. The structural motifs of interest…

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

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

Optical images of transparent three-dimensional objects can be different from a replica of the object's cross section in the image plane due to refraction at the surface or in the body of the object. Simulations of the object's image are…

We use the physics of ellipsoidal collapse to model the probability distribution function of the smoothed dark matter density field in real and redshift space. We provide a simple approximation to the exact collapse model which shows…

Astrophysics · Physics 2008-08-05 Tsz Yan Lam , Ravi K. Sheth

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 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.…

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