Effective temperatures and scattering cross sections in water mixtures determined by Deep Inelastic Neutron Scattering

Dawidowski, J.; Palomino, L.A. Rodríguez; Damián, José Ignacio Márquez; Blostein, J.J.; Cuello, G.J.

doi:10.1016/j.anucene.2015.11.023

Cited by 10 publications

(10 citation statements)

References 21 publications

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“…33 are of direct relevance to the further development of nuclear power reactors, where computer models of the neutronic and thermodynamic response of water over a wide range of physical conditions still require detailed validation against experimental data. This line of work has been extended to simultaneous MANSE and transmission measurements on water mixtures, with a view to obtaining total scattering cross sections over a wide energy range, as well as nuclear effective temperatures for H, D, and O [237,238]. In spite of its apparent simplicity as a light triatomic system, the study of water and aqueous systems continues apace on many exciting (and oftentimes unforeseen) fronts.…”

Section: Outlook and Perspectivesmentioning

confidence: 99%

Electron-volt neutron spectroscopy: beyond fundamental systems

Andreani

Krzystyniak

Romanelli

et al. 2017

Advances in Physics

141

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This work provides an up-to-date account of the use of electron-volt neutron spectroscopy in materials research. This is a growing area of neutron science, capitalising upon the unique insights provided by epithermal neutrons on the behaviour and properties of an increasing number of complex materials. As such, the present work builds upon the aims and scope of a previous contribution to this journal back in 2005, whose primary focus was on a detailed description of the theoretical foundations of the technique and their application to fundamental systems [see Andreani et al., Adv. Phys. 54 (2005) p.377] A lot has happened since then, and this review intends to capture such progress in the field. With both expert and novice in mind, we start by presenting the general principles underpinning the technique and discuss recent conceptual and methodological developments. We emphasise the increasing use of the technique as a non-invasive spectroscopic probe with intrinsic mass selectivity, as well as the concurrent use of neutron diffraction and first-principles computational materials modelling to guide and interpret experiments. To illustrate the state of the art, we discuss in detail a number of recent exemplars, chosen to highlight the use of electron-volt neutron spectroscopy across physics, chemistry, biology, and materials science. These include: hydrides and proton conductors for energy applications; protons, deuterons, and oxygen atoms in bulk water; aqueous protons confined in nanoporous silicas, carbon nanotubes, and graphene-related materials; hydrated water in proteins and DNA; and the uptake of molecular hydrogen by soft nanostructured media, promising materials for energy-storage applications. For the primary benefit of the novice, this last case study is presented in a pedagogical and question-driven fashion, in the hope that it will stimulate further work into uncharted territory by newcomers to the field. All along, we emphasise the increasing (and much-needed) synergy between experiments using electron-volt neutrons and contemporary condensed matter theory and materials modelling to compute and ultimately understand neutron-scattering observables, as well as their relation to materials properties not amenable to scrutiny using other experimental probes

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Section: Outlook and Perspectivesmentioning

confidence: 99%

Electron-volt neutron spectroscopy: beyond fundamental systems

Andreani

Krzystyniak

Romanelli

et al. 2017

Advances in Physics

141

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“…The free gas model or SVT treatment for neutron-nucleus scattering at thermodynamic temperature T are not able to take account the vibration dynamics or atom binding effects of materials, but the effective temperature T eff must be involved, as discussed in the literature [60][61][62][63]. In work, special attentions are given to the neutron upscattering: when neutron energy lies below a few eV, the neutron-nucleus scattering may lead to an energy gain for the incident neutron.…”

Section: Discussion On Rejection Option To Improve the Neutron Up-sca...mentioning

confidence: 99%

Generation of thermal scattering files with the CINEL code

Noguère

2022

EPJ Nuclear Sci. Technol.

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The CINEL code dedicated to generate the thermal neutron scattering files in ENDF-6 format for solid crystalline, free gas materials and liquid water is presented. Compared to the LEAPR module of the NJOY code, CINEL is able to calculate the coherent and incoherent elastic scattering cross sections for any solid crystalline materials. Specific material properties such as anharmonicity and texture can be taken into account in CINEL. The calculation of the thermal scattering laws can be accelerated by using graphics processing unit (GPU), which enables to remove the short collision time approximation for large values of momentum transfer. CINEL is able to generate automatically the grids of dimensionless momentum and energy transfers. The Sampling the Velocity of the Target nucleus (SVT) algorithm capable of determining the scattered neutron distributions is implemented in CINEL. The obtained distributions for free target nuclei such as hydrogen and oxygen are in good agreement with analytical results and Monte-Carlo simulations when incident neutron energies are above a few eV. The introduction of the effective temperature and the rejection step to the SVT algorithm shows improvements to the neutron up-scattering treatment of hydrogen bound in liquid water.

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“…Apart from NCS, the technique of incident neutron energy-dependent sample transmission has also proven to be very useful in the investigation of systems with not very well-defined long-range order, such as liquid solutions and polymers [26,34,35,[48][49][50][51][52]. Neutron transmission is often chosen for the investigation of disordered systems due to its simplicity as an experimental technique and a lack of complicated numerical corrections that are necessary in the case of neutron spectroscopic techniques, including the NCS [26,34,35,[48][49][50][51][52]. Neutron transmission on VESUVIO covers a vast range of incident neutron energies, from a fraction of a millielectronvolt up to thousands of electron volts.…”

Section: Introductionmentioning

confidence: 99%

“…Neutron transmission on VESUVIO covers a vast range of incident neutron energies, from a fraction of a millielectronvolt up to thousands of electron volts. The initial part of the transmission curve, corresponding to the incident neutron energies in the range 1 meV to 1 eV, is shaped by a wide range of different types of excitations, from local to the long-range ones [29,36,49]. Moreover, owing to the capability of VESUVIO to detect the second part of the transmission curve, corresponding to the incident neutron energies above a few eV, the regime of the Impulse Approximation (IA) is reached, where each neutron transmission curve reaches a plateau with the magnitude of transmission determined solely by the product of the sample thickness, its number density, and the total free scattering cross-section weighted by the sample stoichiometry [21,22,29,31,[34][35][36]39,49].…”

Section: Introductionmentioning

confidence: 99%

“…The initial part of the transmission curve, corresponding to the incident neutron energies in the range 1 meV to 1 eV, is shaped by a wide range of different types of excitations, from local to the long-range ones [29,36,49]. Moreover, owing to the capability of VESUVIO to detect the second part of the transmission curve, corresponding to the incident neutron energies above a few eV, the regime of the Impulse Approximation (IA) is reached, where each neutron transmission curve reaches a plateau with the magnitude of transmission determined solely by the product of the sample thickness, its number density, and the total free scattering cross-section weighted by the sample stoichiometry [21,22,29,31,[34][35][36]39,49]. This last unique feature of VESUVIO enables measurements of changes of density in different regions of phase diagrams of condensed matter systems and molecules, particularly important in the context of the glass transition.…”

Section: Introductionmentioning

confidence: 99%

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Glass Transition in Rice Pasta as Observed by Combined Neutron Scattering and Time-Domain NMR

2021

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Experimental protocols aiming at the characterisation of glass transition often suffer from ambiguity. The ambition of the present study is to describe the glass transition in a complex, micro heterogeneous system, the dry rice pasta, in a most unambiguous manner, minimising the influence of technique-specific bias. To this end, we apply an unprecedented combination of experimental techniques. Apart from the usually used NMR and DSC, we employ, in a concurrent manner, neutron transmission, diffraction, and Compton scattering. This enables us to investigate the glass transition over a range of spatio-temporal scales that stretches over seven orders of magnitude. The results obtained by neutron diffraction and DSC reveal that dry rice pasta is almost entirely amorphous. Moreover, the glass transition is evidenced by neutron transmission and diffraction data and manifested as a significant decrease of the average sample number density in the temperature range between 40 and 60 °C. At the microscopic level, our NMR, neutron transmission and Compton scattering results provide evidence of changes in the secondary structure of the starch within the dry rice pasta accompanying the glass transition, whereby the long-range order provided by the polymer structure within the starch present in the dry rice pasta is partially lost.

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Effective temperatures and scattering cross sections in water mixtures determined by Deep Inelastic Neutron Scattering

Cited by 10 publications

References 21 publications

Electron-volt neutron spectroscopy: beyond fundamental systems

Electron-volt neutron spectroscopy: beyond fundamental systems

Generation of thermal scattering files with the CINEL code

Glass Transition in Rice Pasta as Observed by Combined Neutron Scattering and Time-Domain NMR

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