Inelastic neutron scattering analysis with time-dependent Gaussian-field models.


Journal

The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360

Informations de publication

Date de publication:
14 Jul 2021
Historique:
entrez: 16 7 2021
pubmed: 17 7 2021
medline: 17 7 2021
Statut: ppublish

Résumé

Converting neutron scattering data to real-space time-dependent structures can only be achieved through suitable models, which is particularly challenging for geometrically disordered structures. We address this problem by introducing time-dependent clipped Gaussian field models. General expressions are derived for all space- and time-correlation functions relevant to coherent inelastic neutron scattering for multiphase systems and arbitrary scattering contrasts. Various dynamic models are introduced that enable one to add time-dependence to any given spatial statistics, as captured, e.g., by small-angle scattering. In a first approach, the Gaussian field is decomposed into localized waves that are allowed to fluctuate in time or to move either ballistically or diffusively. In a second approach, a dispersion relation is used to make the spectral components of the field time-dependent. The various models lead to qualitatively different dynamics, which can be discriminated by neutron scattering. The methods of this paper are illustrated with oil/water microemulsion studied by small-angle scattering and neutron spin-echo. All available data-in both film and bulk contrasts, over the entire range of q and τ-are analyzed jointly with a single model. The analysis points to the static large-scale structure of the oil and water domains while the interfaces are subject to thermal fluctuations. The fluctuations have an amplitude of around 60 Å and contribute to 30% of the total interface area.

Identifiants

pubmed: 34266279
doi: 10.1063/5.0053446
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

024121

Auteurs

Cedric J Gommes (CJ)

Forschungszentrum Jülich GmbH, Jülich Center for Neutron Science, 52425 Jülich, Germany.

Reiner Zorn (R)

Forschungszentrum Jülich GmbH, Jülich Center for Neutron Science, 52425 Jülich, Germany.

Sebastian Jaksch (S)

Forschungszentrum Jülich GmbH, Jülich Center for Neutron Science at the Heinz Maier Leibnitz Zentrum, Lichtenbergstrasse 1, 85747 Garching, Germany.

Henrich Frielinghaus (H)

Forschungszentrum Jülich GmbH, Jülich Center for Neutron Science at the Heinz Maier Leibnitz Zentrum, Lichtenbergstrasse 1, 85747 Garching, Germany.

Olaf Holderer (O)

Forschungszentrum Jülich GmbH, Jülich Center for Neutron Science at the Heinz Maier Leibnitz Zentrum, Lichtenbergstrasse 1, 85747 Garching, Germany.

Classifications MeSH