A reverse Monte Carlo algorithm to simulate two-dimensional small-angle scattering intensities.
magnetic nanoparticles
reverse Monte Carlo simulations
small-angle X-ray scattering
small-angle neutron scattering
superparamagnetic iron oxide nanoparticles
Journal
Journal of applied crystallography
ISSN: 0021-8898
Titre abrégé: J Appl Crystallogr
Pays: United States
ID NLM: 9876190
Informations de publication
Date de publication:
01 Dec 2022
01 Dec 2022
Historique:
received:
25
05
2022
accepted:
16
09
2022
entrez:
26
12
2022
pubmed:
27
12
2022
medline:
27
12
2022
Statut:
epublish
Résumé
Small-angle scattering (SAS) experiments are a powerful method for studying self-assembly phenomena in nanoscopic materials because of the sensitivity of the technique to structures formed by interactions on the nanoscale. Numerous out-of-the-box options exist for analysing structures measured by SAS but many of these are underpinned by assumptions about the underlying interactions that are not always relevant for a given system. Here, a numerical algorithm based on reverse Monte Carlo simulations is described to model the intensity observed on a SAS detector as a function of the scattering vector. The model simulates a two-dimensional detector image, accounting for magnetic scattering, instrument resolution, particle polydispersity and particle collisions, while making no further assumptions about the underlying particle interactions. By simulating a two-dimensional image that can be potentially anisotropic, the algorithm is particularly useful for studying systems driven by anisotropic interactions. The final output of the algorithm is a relative particle distribution, allowing visualization of particle structures that form over long-range length scales (
Identifiants
pubmed: 36570657
doi: 10.1107/S1600576722009219
pii: S1600576722009219
pmc: PMC9721324
doi:
Types de publication
Journal Article
Langues
eng
Pagination
1592-1602Informations de copyright
© Lester C. Barnsley et al. 2022.
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