scholarly journals Hierarchically organized materials with ordered mesopores: adsorption isotherm and adsorption-induced deformation from small-angle scattering

2020 ◽  
Vol 22 (22) ◽  
pp. 12713-12723 ◽  
Author(s):  
Lukas Ludescher ◽  
Roland Morak ◽  
Stephan Braxmeier ◽  
Florian Putz ◽  
Nicola Hüsing ◽  
...  
Keyword(s):  
Adsorption Isotherm ◽  
Small Angle ◽  
Small Angle Scattering ◽  
Scattering Data ◽  
X Ray ◽  
Hierarchical Porosity ◽  
X Ray Scattering ◽  
Angle Scattering ◽  
Apparent Strain ◽  
Ordered Mesopores

Apparent strain artifacts resulting from the evaluation of small-angle X-ray scattering data superimpose the actual adsorption induced deformation in silica with hierarchical porosity. These artifacts can be corrected for by detailed modelling.

scholarly journals Two practical Java software tools for small-angle X-ray scattering analysis of biomolecules

2014 ◽  
Vol 47 (2) ◽  
pp. 810-815 ◽  
Author(s):  
Andreas Hofmann ◽  
Andrew E. Whitten
Keyword(s):  
Small Angle ◽  
Three Dimensional ◽  
Small Angle Scattering ◽  
Ease Of Use ◽  
Scattering Data ◽  
X Ray ◽  
X Ray Scattering ◽  
Angle Scattering ◽  
Three Dimensional Models ◽  
Ray Scattering

Small-angle X-ray scattering has established itself as a common technique in structural biology research. Here, two novel Java applications to aid modelling of three-dimensional macromolecular structures based on small-angle scattering data are described.MolScatis an application that computes small-angle scattering intensities from user-provided three-dimensional models. The program can fit the theoretical scattering intensities to experimental X-ray scattering data.SAFIRis a program for interactive rigid-body modelling into low-resolution shapes restored from small-angle scattering data. The program has been designed with an emphasis on ease of use and intuitive handling. An embedded version ofMolScatis used to enable quick evaluation of the fit between the model and experimental scattering data.SAFIRalso provides options to refine macromolecular complexes with optional user-specified restraints against scattering data by means of a Monte Carlo approach.

SLADS: a parallel code for direct simulations of scattering of large anisotropic dense nanoparticle systems

2017 ◽  
Vol 50 (3) ◽  
pp. 951-958 ◽  
Author(s):  
Sen Chen ◽  
Juncheng E ◽  
Sheng-Nian Luo
Keyword(s):  
Analytical Solutions ◽  
Small Angle ◽  
Real Space ◽  
Small Angle Scattering ◽  
Two Dimensional ◽  
X Ray ◽  
X Ray Scattering ◽  
Angle Scattering ◽  
Parallel Code ◽  
Diffraction Patterns

SLADS(http://www.pims.ac.cn/Resources.html), a parallel code for direct simulations of X-ray scattering of large anisotropic dense nanoparticle systems of arbitrary species and atomic configurations, is presented. Particles can be of arbitrary shapes and dispersities, and interactions between particles are considered. Parallelization is achieved in real space for the sake of memory limitation. The system sizes attempted are up to one billion atoms, and particle concentrations in dense systems up to 0.36. Anisotropy is explored in terms of superlattices. One- and two-dimensional small-angle scattering or diffraction patterns are obtained.SLADSis validated self-consistently or against cases with analytical solutions.

A Study of Beryllium-Based Materials and Comparison of Their X-Ray Homogeneities According to Small-Angle Scattering Data

2018 ◽  
Vol 63 (6) ◽  
pp. 874-882 ◽  
Author(s):  
A. A. Semenov ◽  
V. V. Volkov ◽  
A. V. Zabrodin ◽  
V. V. Gorlevskii ◽  
M. S. Sheverdyaev ◽  
...  
Keyword(s):  
Small Angle ◽  
Small Angle Scattering ◽  
Scattering Data ◽  
X Ray ◽  
Angle Scattering

Phase retrieval x-ray diffractometry (PRXRD): refraction/small-angle scattering data applications

2001 ◽  
Author(s):  
Karen K. Siu ◽  
Andrei Y. Nikulin ◽  
James Hester ◽  
Andreas K. Freund ◽  
Tetsuya Ishikawa
Keyword(s):  
Small Angle ◽  
Phase Retrieval ◽  
Small Angle Scattering ◽  
Scattering Data ◽  
X Ray ◽  
Angle Scattering

scholarly journals Varying Collimation for Dark-Field Extraction

2009 ◽  
Vol 2009 ◽  
pp. 1-7 ◽  
Author(s):  
Ge Wang ◽  
Wenxiang Cong ◽  
Haiou Shen ◽  
Yu Zou
Keyword(s):  
Aspect Ratio ◽  
Small Angle ◽  
Dark Field ◽  
Small Angle Scattering ◽  
Primary Beam ◽  
Scattering Data ◽  
Projection Data ◽  
X Ray ◽  
X Ray Imaging ◽  
Angle Scattering

Although x-ray imaging is widely used in biomedical applications, biological soft tissues have small density changes, leading to low contrast resolution for attenuation-based x-ray imaging. Over the past years, x-ray small-angle scattering was studied as a new contrast mechanism to enhance subtle structural variation within the soft tissue. In this paper, we present a detection method to extract this type of x-ray scattering data, which are also referred to as dark-field signals. The key idea is to acquire an x-ray projection multiple times with varying collimation before an x-ray detector array. The projection data acquired with a collimator of a sufficiently high collimation aspect ratio contain mainly the primary beam with little scattering, while the data acquired with an appropriately reduced collimation aspect ratio include both the primary beam and small-angle scattering signals. Then, analysis of these corresponding datasets will produce desirable dark-field signals; for example, via digitally subtraction. In the numerical experiments, the feasibility of our dark-field detection technology is demonstrated in Monte Carlo simulation. The results show that the acquired dark field signals can clearly reveal the structural information of tissues in terms of Rayleigh scattering characteristics.

TheSmall Angle Scattering ToolBox(SASTBX): an open-source software for biomolecular small-angle scattering

2012 ◽  
Vol 45 (3) ◽  
pp. 587-593 ◽  
Author(s):  
Haiguang Liu ◽  
Alexander Hexemer ◽  
Peter H. Zwart
Keyword(s):  
Open Source ◽  
Open Source Software ◽  
Small Angle ◽  
Small Angle Scattering ◽  
Scattering Data ◽  
Model Reconstruction ◽  
Biomolecular Structure ◽  
X Ray ◽  
Structure And Dynamics ◽  
Angle Scattering

Small-angle X-ray and neutron scattering experiments are broadly applied to study biomolecular structure and dynamics. This article presents theSmall Angle Scattering ToolBox(SASTBX), which provides a wide-ranging functionality for the analysis of biological small-angle scattering data, from data reduction to model reconstruction and refinement. TheSASTBXis an open-source package, which is freely available at http://sastbx.als.lbl.gov.

An iterative method to extract the size distribution of non-interacting polydisperse spherical particles from small-angle scattering data

2014 ◽  
Vol 47 (2) ◽  
pp. 712-718 ◽  
Author(s):  
D. Sen ◽  
Avik Das ◽  
S. Mazumder
Keyword(s):  
Iterative Method ◽  
Size Distribution ◽  
Small Angle ◽  
Real Space ◽  
Colloidal Dispersions ◽  
Small Angle Scattering ◽  
Spherical Particles ◽  
Scattering Data ◽  
X Ray Scattering ◽  
Angle Scattering

In this article, an iterative method for estimating the size distribution of non-interacting polydisperse spherical particles from small-angle scattering data is presented. It utilizes the iterative addition of relevant contributions to an instantaneous size distribution, as obtained from the fractional difference between the experimental data and the simulated profile. An inverse relation between scattering vector and real space is assumed. This method does not demand the consideration of any basis function set together with an imposed constraint such as a Lagrange multiplier, nor does it depend on the Titchmarsh transform. It is demonstrated that the method works quite well in extracting several forms of distribution. The robustness of the present method is examined through the successful retrieval of several forms of distribution, namely monomodal, bimodal, trimodal, triangular and bitriangular distributions. Finally, the method has also been employed to extract the particle size distribution from experimental small-angle X-ray scattering data obtained from colloidal dispersions of silica.

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