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.

Calculation of scattering patterns from phase-shifting objects using the Radon transform

2011 ◽  
Vol 44 (6) ◽  
pp. 1157-1163 ◽  
Author(s):  
W. Treimer ◽  
U. Feye-Treimer
Keyword(s):  
Radon Transform ◽  
Small Angle ◽  
Small Angle Scattering ◽  
Phase Shifting ◽  
Two Dimensional ◽  
Fraunhofer Diffraction ◽  
X Ray ◽  
X Ray Scattering ◽  
Inhomogeneous Phase ◽  
Angle Scattering

In the case of neutron (and X-ray) scattering by objects that are about 105times larger than the wavelength, the objects can be considered as (inhomogeneous) phase-shifting media. In contrast with small-angle scattering, the scattering patterns from phase-shifting objects are calculated by the superposition of coherent partial waves that penetrate the object. In order to determine the scattering patterns from large complicated objects, it is proposed to use the two-dimensional Radon transform of the objects and Fraunhofer diffraction. This approach is much easier than using the small-angle scattering treatment, as is shown in this paper.

An X-Ray Small-Angle Scattering Instrument

1967 ◽  
Vol 11 ◽  
pp. 332-338 ◽  
Author(s):  
Donald M. Koffman
Keyword(s):  
Small Angle ◽  
Scintillation Counter ◽  
Small Angle Scattering ◽  
High Angular Resolution ◽  
X Ray Diffraction ◽  
Multiple Diffraction ◽  
Double Crystal ◽  
X Ray ◽  
Angle Scattering ◽  
Diffraction Patterns

AbstractAn X-ray small-angle scattering instrument is described which is used for recording X-ray diffraction patterns or small-angle X-ray scattering curves in an angular region very close to the direct beam. The measurement of X-ray intensity is accomplished with standard geiger or scintillation counter techniques. The instrument is designed for use with a spot-focus or vertical-line X-ray source, In essence, it is a multiple-reflection double-crystal diffractometer, based on a concept developed by Bonse and Hart, employing two grooved perfect germanium crystals arranged in the parallel position. Multiple diffraction from these crystals produces a monochromated X-ray beam which can be several millimeters wide while still exhibiting extremely high angular resolution. As a result, effective sample volumes can be employed with maximum volume-to-thickness ratios. The principal features of the instrument are discussed with emphasis on the advantages of this device over those employing complex slit systems and film-re cording techniques, Data are presented to illustrate the operation, intensity, and resolution of the unit.

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.

Application of Grazing-Incidence Small-Angle X-Ray Scattering Technique to Semiconducting Composite Materials

2005 ◽  
Vol 475-479 ◽  
pp. 1097-1100 ◽  
Author(s):  
T. Ogawa ◽  
H. Niwa ◽  
Hiroshi Okuda ◽  
Shojiro Ochiai
Keyword(s):  
Small Angle ◽  
Grazing Incidence ◽  
Two Dimensional ◽  
Dimensional Model ◽  
X Ray ◽  
X Ray Scattering ◽  
Angle Scattering ◽  
Two Dimensional Model ◽  
Scattering Technique ◽  
Best Fitting

Grazing-incidence small-angle scattering (GI-SAXS) technique was applied to self-assembled Ge islands capped with Si. GI-SAXS has a merit over TEM and AFM that the structure of islands buried in a cap layer for stabilization can be evaluated nondestructively. By analyzing the scattering patterns, the size of Ge islands was estimated to be about 5 nm in height and 26 nm in diameter, with the islands density of 4.2×1014/m2. From the best fitting of two-dimensional model intensity to the experiments, the shape of the islands was deduced

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.

Nanostructure of a-Si:H and Related Materials by Small-Angle X-Ray Scattering

1995 ◽  
Vol 377 ◽  
Author(s):  
D. L. Williamson
Keyword(s):  
Small Angle ◽  
Detailed Comparison ◽  
Small Angle Scattering ◽  
Atomic Scale ◽  
X Ray ◽  
X Ray Scattering ◽  
Current State ◽  
Angle Scattering ◽  
Wide Range ◽  
Ray Scattering

ABSTRACTThe use of small-angle x-ray scattering to examine nanostructural features of a-Si:H and the related alloys a-SiGe:H and a-SiC:H will be reviewed. A wide range of H, Ge, and C compositions has been investigated. The films examined came from several film- and device-making groups and represent current state-of-the-art solar cell material or attempts to develop improved and more stable material. A detailed comparison of the three classes of materials reveals dramatic differences in nanostructure. The diffuse component of the small-angle scattering, not recognized or discussed in previous small-angle scattering experiments on these materials by other groups, is shown to contain potentially valuable information on the atomic-scale structure.

Interpretation of two-dimensional real-space functions obtained from small-angle scattering data of oriented microstructures

2015 ◽  
Vol 48 (1) ◽  
pp. 44-51 ◽  
Author(s):  
Gerhard Fritz-Popovski
Keyword(s):  
Small Angle ◽  
Fourier Transformation ◽  
Real Space ◽  
Small Angle Scattering ◽  
Scattering Data ◽  
Two Dimensional ◽  
Spruce Wood ◽  
Angle Scattering ◽  
Nanostructured Silica ◽  
Internal Architecture

The new two-dimensional indirect Fourier transformation converts small-angle scattering patterns obtained by means of area detectors into two-dimensional real-space functions. These functions contain identical information to the scattering patterns, but many parameters related to the microstructure can be obtained directly from them. The size and shape of the microstructures are mainly reflected in the contours of the real-space functions. Their height can be used to get information on the internal architecture of the microstructures. The principles are demonstrated on nanostructured silica biotemplated by spruce wood.

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