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McSAS3 is the refactored successor to the original McSAS Monte Carlo small-angle scattering analysis software. It is intended to be integrated in automated data processing pipelines, but can also be used to process individual (batches of)…

Data Analysis, Statistics and Probability · Physics 2026-01-27 Brian Richard Pauw , Ingo Breßler

Small-angle X-ray or neutron scattering (SAXS/SANS/SAS) is widely used to obtain structural information on biomolecules or soft-matter complexes in solution. Deriving a molecular interpretation of the scattering signals requires methods for…

Biological Physics · Physics 2022-08-16 Leonie Chatzimagas , Jochen S. Hub

Small angle X-ray scattering (SAXS) is extensively used in materials science as a way of examining nanostructures. The analysis of experimental SAXS data involves mapping a rather simple data format to a vast amount of structural models.…

Machine Learning · Computer Science 2021-11-17 Piotr Tomaszewski , Shun Yu , Markus Borg , Jerk Rönnols

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…

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

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

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

For obtaining reliable nanostructural details of large amounts of sample --- and if it is applicable --- Small-Angle Scattering (SAS) is a prime technique to use. It promises to obtain bulk-scale, statistically sound information on the…

Materials Science · Physics 2013-09-02 Brian Richard Pauw

We propose a versatile software package in the form of a Python extension, named CDEF (Computing Debye's scattering formula for Extraordinary Formfactors), to approximately calculate scattering profiles of arbitrarily shaped nanoparticles…

Mesoscale and Nanoscale Physics · Physics 2022-05-13 Jérôme Deumer , Brian R. Pauw , Sylvie Marguet , Dieter Skroblin , Olivier Taché , Michael Krumrey , Christian Gollwitzer

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 scattering (SAS) techniques, which utilize neutrons and X-rays, are employed in various scientific fields, including materials science, biochemistry, and polymer physics. During the analysis of SAS data, model parameters that…

Computational tools for normal mode analysis, which are widely used in physics and materials science problems, are designed here in a single package called NMscatt (Normal Modes & scattering) that allows arbitrarily large systems to be…

Computational Physics · Physics 2009-11-13 Franci Merzel , Fabien Fontaine-Vive , Mark R. Johnson

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…

Data Analysis, Statistics and Probability · Physics 2009-02-02 Bridget Ingham , Haiyong Li , Emily L. Allen , Michael F. Toney

Exploiting small angle X-ray and neutron scattering (SAXS/SANS) on the same sample volume at the same time provides complementary nanoscale structural information at two different contrast situations. Compared with an independent…

Small-angle X-ray scattering (SAXS) and X-ray diffraction (XRD) techniques are widely used as analytical tools in the optimization and control of nanomaterial synthesis processes. In crystalline nanoparticle systems with size distribution,…

This work describes a multidisciplinary research methodology for quantifying the size distribution of nanoscale precipitates in polycrystalline alloys. Complementary transmission electron microscopy (TEM) and small-angle x-ray scattering…

Materials Science · Physics 2014-01-21 Julian M. Rosalie , Brian R. Pauw

We propose an ambitious new method that models the intracluster medium in clusters of galaxies as a set of X-ray emitting smoothed particles of plasma. Each smoothed particle is described by a handful of parameters including temperature,…

Astrophysics · Physics 2010-11-05 J. R. Peterson , P. J. Marshall , K. Andersson

Nanoscale structure determination belongs to one of the crucial tasks in materials science. Small-angle neutron scattering (SANS) is a highly valuable tool to investigate nanostructures. Here, we explore the possibility of a compact SANS…

Instrumentation and Detectors · Physics 2022-02-01 Markus Bleuel , Miriam Siebenbürger , Peter Böni , Gerald J. Schneider

Wide-angle x-ray scattering (WAXS) is emerging as a powerful tool for increasing the resolution of solution structure measurements of biomolecules. Compared to its better known complement, small angle x-ray scattering (SAXS), WAXS targets…

We present MASSCLEAN, a new, sophisticated and robust stellar cluster image and photometry simulation package. This visualization tool is able to create color-magnitude diagrams and standard FITS images in any of the traditional optical and…

Astrophysics · Physics 2015-05-13 Bogdan Popescu , M. M. Hanson
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