4.7 Article

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

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JOURNAL OF CHEMICAL PHYSICS
卷 155, 期 2, 页码 -

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AIP Publishing
DOI: 10.1063/5.0053446

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This paper introduces models to achieve time-dependence in geometrically disordered structures and various dynamic models to capture the correlation between time and space. The methods are illustrated with a study of oil/water microemulsion using small-angle scattering and neutron spin-echo, providing insights into the static large-scale structure of the oil and water domains and the thermal fluctuations at the interfaces.
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 tau-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 angstrom and contribute to 30% of the total interface area.

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