Related papers: sasPDF: pair distribution function analysis of nan…
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…
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}…
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…
We revise the relation between Parton Distribution Functions (PDFs) and matrix elements computable from lattice QCD, focusing on the quasi-Parton Distribution Functions (qPDFs) approach. We exploit the relation between PDFs and qPDFs in the…
In this contribution we present a status report on the recent progress towards an analysis of nuclear parton distribution functions (nPDFs) using the NNPDF methodology. We discuss how the NNPDF fitting approach can be extended to account…
The pair-angle distribution function (PADF) is a three- and four-atom correlation function that can characterise the local angular structure of disordered materials, particles or nanocrystalline materials. The PADF can be measured by x-ray…
A reliable and user-friendly characterisation of nano-objects in a target material is presented here in the form of a software data analysis package for interpreting small-angle X-ray scattering (SAXS) patterns. When provided with data on…
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…
In this paper we demonstrate that multi-modal Probability Distribution Functions (PDFs) may be efficiently sampled using an algorithm originally developed for numerical integrations by Monte-Carlo methods. This algorithm can be used to…
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…
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 present a new regression model for the determination of parton distribution functions (PDF) using techniques inspired from deep learning projects. In the context of the NNPDF methodology, we implement a new efficient computing framework…
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…
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…
The local structure of the AgPbmSbTem+2 series of thermoelectric materials has been studied using the atomic pair distribution function (PDF) method. Three candidate-models were attempted for the structure of this class of materials using…
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…
We present SMPDF Web, a web interface for the construction of parton distribution functions (PDFs) with a minimal number of error sets needed to represent the PDF uncertainty of specific processes (SMPDF).
SAXSFit is a computer analysis program that has been developed to assist in the fitting of small-angle x-ray and neutron scattering spectra primarily from nanoparticles (nanopores). The fitting procedure yields the pore or particle size…
We present a methodology for the construction of parton distribution functions (PDFs) designed to provide an accurate representation of PDF uncertainties for specific processes or classes of processes with a minimal number of PDF error…
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…