VOLDIS: A Direct Search for the Size Distribution of Nanoparticles from Small-Angle Scattering Data and Stability of the Solution

The paper considers an algorithm for the direct search for a nonparametric smooth histogram of the particle size distribution from small-angle X-ray and neutron scattering data. The features and details of the implementation of the method, which consists in the sequential search for several solution...

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Main Author: Vladimir V. Volkov
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/12/11/1659
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author Vladimir V. Volkov
author_facet Vladimir V. Volkov
author_sort Vladimir V. Volkov
collection DOAJ
description The paper considers an algorithm for the direct search for a nonparametric smooth histogram of the particle size distribution from small-angle X-ray and neutron scattering data. The features and details of the implementation of the method, which consists in the sequential search for several solutions with different degrees of smoothness of the distribution contour, are considered. Methods for evaluating the stability of both the whole distribution contour and its individual parts are discussed. The work of the program is illustrated by examples of the analysis of polydisperse spherical particles in silicasol solutions.
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spelling doaj.art-852a3302fd1240209f154acbbc9d462d2023-11-24T08:02:37ZengMDPI AGCrystals2073-43522022-11-011211165910.3390/cryst12111659VOLDIS: A Direct Search for the Size Distribution of Nanoparticles from Small-Angle Scattering Data and Stability of the SolutionVladimir V. Volkov0A.V. Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics”, Russian Academy of Sciences, 59, Leninskii Prospect, 119333 Moscow, RussiaThe paper considers an algorithm for the direct search for a nonparametric smooth histogram of the particle size distribution from small-angle X-ray and neutron scattering data. The features and details of the implementation of the method, which consists in the sequential search for several solutions with different degrees of smoothness of the distribution contour, are considered. Methods for evaluating the stability of both the whole distribution contour and its individual parts are discussed. The work of the program is illustrated by examples of the analysis of polydisperse spherical particles in silicasol solutions.https://www.mdpi.com/2073-4352/12/11/1659small-angle scatteringparticle size distributionnon-linear least squaresnumerical methods
spellingShingle Vladimir V. Volkov
VOLDIS: A Direct Search for the Size Distribution of Nanoparticles from Small-Angle Scattering Data and Stability of the Solution
Crystals
small-angle scattering
particle size distribution
non-linear least squares
numerical methods
title VOLDIS: A Direct Search for the Size Distribution of Nanoparticles from Small-Angle Scattering Data and Stability of the Solution
title_full VOLDIS: A Direct Search for the Size Distribution of Nanoparticles from Small-Angle Scattering Data and Stability of the Solution
title_fullStr VOLDIS: A Direct Search for the Size Distribution of Nanoparticles from Small-Angle Scattering Data and Stability of the Solution
title_full_unstemmed VOLDIS: A Direct Search for the Size Distribution of Nanoparticles from Small-Angle Scattering Data and Stability of the Solution
title_short VOLDIS: A Direct Search for the Size Distribution of Nanoparticles from Small-Angle Scattering Data and Stability of the Solution
title_sort voldis a direct search for the size distribution of nanoparticles from small angle scattering data and stability of the solution
topic small-angle scattering
particle size distribution
non-linear least squares
numerical methods
url https://www.mdpi.com/2073-4352/12/11/1659
work_keys_str_mv AT vladimirvvolkov voldisadirectsearchforthesizedistributionofnanoparticlesfromsmallanglescatteringdataandstabilityofthesolution