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The increasing scientific and technological interest in nanoparticles has raised the need for fast, efficient and precise characterization techniques. Powder diffraction is a very efficient experimental method, as it is straightforward and…

Materials Science · Physics 2008-12-02 A. Cervellino , C. Giannini , A. Guagliardi , M. Ladisa

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…

Disordered Systems and Neural Networks · Physics 2023-09-04 Andrew V. Martin , Patrick Adams , Jack Binns

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

We theoretically determine the probability distribution function of the net field of the random planar structure of dipoles which represent polarized particles. At small surface concentrations c of the point dipoles this distribution is…

Statistical Mechanics · Physics 2012-05-04 Andrey V. Panov

We investigate the full pair-distribution function of a homogeneous suspension of spherical active Brownian particles interacting by a Weeks-Chandler-Andersen potential in two spatial dimensions. The full pair-distribution function depends…

Soft Condensed Matter · Physics 2020-06-18 Julian Jeggle , Joakim Stenhammar , Raphael Wittkowski

It is shown that in equilibrium a canonical ensemble of particles with two-particle interaction the Gibbs distribution function may be expressed uniquely through a pair distribution function. It means, that for given values of the particle…

Statistical Mechanics · Physics 2007-05-23 M. I. Kalinin

The pair-distribution function, which provides information about correlations in a system of interacting particles, is one of the key objects of theoretical soft matter physics. In particular, it allows for microscopic insights into the…

Soft Condensed Matter · Physics 2023-07-28 Stephan Bröker , Michael te Vrugt , Julian Jeggle , Joakim Stenhammar , Raphael Wittkowski

In the theory of resonant scattering, the double differential cross section involves the computation of a multifold integral of a 4-point correlation function, which generalizes the traditional 2-point correlation function of Van-Hove for…

Other Condensed Matter · Physics 2007-09-19 Arnaud Courcelle , John Rowlands

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…

Determination of crystal structures of nanocrystalline or amorphous compounds is a great challenge in solid states chemistry and physics. Pair distribution function (PDF) analysis of X-Ray or neutron total scattering data has proven to be a…

Materials Science · Physics 2025-07-14 Magnus Kløve , Sanna Sommer , Bo B. Iversen , Bjørk Hammer , Wilke Dononelli

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

Manufacturing of particulate products across many industries relies on accurate measurements of particle size distributions in dispersions or powders. Laser diffraction (or small angle light scattering) is commonly used, usually off-line,…

Soft Condensed Matter · Physics 2016-10-18 Okpeafoh S. Agimelen , Anthony J. Mulholland , Jan Sefcik

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 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

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

The effect nucleon dressing by scattering on the pairing gap in nuclear matter is discussed. Numerical results from self-consistent T-matrix calculations are compared to quasi-particle approximations. The dominant effect of scattering can…

Nuclear Theory · Physics 2009-11-06 P. Bozek

An efficient numerical method based on half-space Green function and spherical harmonics expansion is used to study the light scattering from coupled multiple nanospheres on a substrate. The ellipsometric spectra for various geometries of…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Huai-Yi Xie , Yia-Chung Chang

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

Small-angle scattering is a commonly used tool to analyze the dispersion of nanoparticles in all kinds of matrices. Besides some obvious cases, the associated structure factor is often complex and cannot be reduced to a simple interparticle…

Soft Condensed Matter · Physics 2023-10-24 Anne-Caroline Genix , Julian Oberdisse

The concept of splitting tessellations and splitting tessellation processes in spherical spaces of dimension $d\geq 2$ is introduced. Expectations, variances and covariances of spherical curvature measures induced by a splitting…

Probability · Mathematics 2018-12-03 Daniel Hug , Christoph Thaele
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