Neither Sphere nor Cube—Analyzing the Particle Shape Using Small-Angle Scattering and the Superball Model

Author(s):  
Dominique Dresen ◽  
Asma Qdemat ◽  
Seda Ulusoy ◽  
Flore Mees ◽  
Dominika Zákutná ◽  
...  
1983 ◽  
Vol 16 (1) ◽  
pp. 42-46 ◽  
Author(s):  
O. Glatter ◽  
P. Laggner

The possibilities of obtaining structural information from X-ray small-angle scattering experiments with `white' polychromatic synchrotron radiation using line collimation are investigated by numerical simulation. Theoretical scattering curves of geometrical models were smeared with the appropriate wavelength distributions and slit-length functions, afflicted by statistical noise, and then evaluated by identical methods as normally used for experimental data, as described previously [program ITP; Glatter (1977). J. Appl. Cryst. 10, 415–421]. It is shown that even for a wavelength distribution of 50% half width, the information content is not limited to the parameters derived from the central part of the scattering curves, i.e. the radius of gyration and the zero-angle intensity, but also allows qualitative information on particle shape via the distance distribution function p(r). By a `hinge-bending model' consisting of two cylinders linked together at different angles it is demonstrated that changes in the radius of gyration amounting to less than 5% can be detected and quantified, and the qualitative changes in particle shape be reproduced.


2009 ◽  
Vol 42 (2) ◽  
pp. 342-346 ◽  
Author(s):  
Daniel Franke ◽  
Dmitri I. Svergun

DAMMIF, a revised implementation of theab-initioshape-determination programDAMMINfor small-angle scattering data, is presented. The program was fully rewritten, and its algorithm was optimized for speed of execution and modified to avoid limitations due to the finite search volume. Symmetry and anisometry constraints can be imposed on the particle shape, similar toDAMMIN. In equivalent conditions,DAMMIFis 25–40 times faster thanDAMMINon a single CPU. The possibility to utilize multiple CPUs is added toDAMMIF. The application is available in binary form for major platforms.


2021 ◽  
Author(s):  
Dominique Dresen ◽  
Asmaa Qdemat ◽  
Dominika Zákutná ◽  
Erik Wetterskog ◽  
Emmanuel Kentzinger ◽  
...  

<div>Accurate characterization of the nanocrystal shape with high statistical relevance is essential for exploiting the strongly shape-dependent properties of cuboidal nanoparticles towards applications. <br></div><div>This work presents the development of a new small-angle scattering form factor based on the superball geometry. The superball quantifies the characteristic rounding of corners and edges of cuboidalnanoparticles with a single parameter. Applied to small-angle scattering data of sufficiently monodisperse nanoparticles, the superball form factor enables differentiation between the effects of extended<br></div>particle size distribution and irregular particle shape. The quantitative application of the superball form factor is validated against microscopy data for a series of monodisperse nanoparticles and implemented into the user-friendly, open source software Sasview.


2021 ◽  
Author(s):  
Dominique Dresen ◽  
Asmaa Qdemat ◽  
Dominika Zákutná ◽  
Erik Wetterskog ◽  
Emmanuel Kentzinger ◽  
...  

<div>Accurate characterization of the nanocrystal shape with high statistical relevance is essential for exploiting the strongly shape-dependent properties of cuboidal nanoparticles towards applications. <br></div><div>This work presents the development of a new small-angle scattering form factor based on the superball geometry. The superball quantifies the characteristic rounding of corners and edges of cuboidalnanoparticles with a single parameter. Applied to small-angle scattering data of sufficiently monodisperse nanoparticles, the superball form factor enables differentiation between the effects of extended<br></div>particle size distribution and irregular particle shape. The quantitative application of the superball form factor is validated against microscopy data for a series of monodisperse nanoparticles and implemented into the user-friendly, open source software Sasview.


1993 ◽  
Vol 03 (C8) ◽  
pp. C8-393-C8-396
Author(s):  
T. P.M. BEELEN ◽  
W. H. DOKTER ◽  
H. F. VAN GARDEREN ◽  
R. A. VAN SANTEN ◽  
E. PANTOS

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