From neutron Compton profiles to momentum distribution: Assessment of direct numerical determination

Senesi, R.; Flammini, D.; Romanelli, Giovanni

doi:10.1016/j.nima.2012.12.049

Cited by 4 publications

(2 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…20] and hereafter denotedF (y) have also been tested. These approaches use the associated function F (y)y 2 to derive E K in two different ways: (a) from direct numerical integration of the second central moment ofF (y)y 2 [65,66]; or (b) directly from the mean force f (x), a physical quantity proposed in recent theoretical studies [44,59]. The latter is a more sensitive quantity which, for a macroscopically isotropic system, is a function of the radial displacement x.…”

Section: Momentum Distributions and Mean Kinetic Energiesmentioning

confidence: 99%

“…M is the total (bound) neutron-scattering cross section [2,84]. Equation (66) encapsulates the merits and strengths of MANSE. First, MANSE data provides a simple head count of different elements in the sample, an observable that might not be a trivial one to measure (i.e., think of minute concentrations of H or Li in a heavy-metal matrix).…”

Section: Mass-selective Neutron Spectroscopymentioning

confidence: 99%

See 1 more Smart Citation

Electron-volt neutron spectroscopy: beyond fundamental systems

Andreani

Krzystyniak

Romanelli

et al. 2017

Advances in Physics

141

View full text Add to dashboard Cite

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

show abstract

Section: Momentum Distributions and Mean Kinetic Energiesmentioning

confidence: 99%

Section: Mass-selective Neutron Spectroscopymentioning

confidence: 99%

Electron-volt neutron spectroscopy: beyond fundamental systems

Andreani

Krzystyniak

Romanelli

et al. 2017

Advances in Physics

141

View full text Add to dashboard Cite

show abstract

Atomic Quantum Dynamics in Materials Research

Andreani

Senesi

Krzystyniak

et al. 2017

Experimental Methods in the Physical Sciences

View full text Add to dashboard Cite

Proton dynamics in ice VII at high pressures

Finkelstein¹,

Moreh

2013

The Journal of Chemical Physics

View full text Add to dashboard Cite

We calculated the proton kinetic energies Ke(H) of ice under high pressures up to 63 GPa by assuming the harmonic approximation. The input measured optical frequencies of vibration, libration, and translation of ice VII versus pressure as well as the H2O geometry and the distances R(OH) necessary for calculating Ke(H) (at 298 K) were taken from the literature. The resulting Ke(H) values were found to decrease gradually with increasing pressure, approaching the region where the H-atom is symmetrically hydrogen bonded between two oxygens in the OH-O system. Interestingly, the Ke(H) results were found to be consistent with those of other materials such as Rb3H(PO4)2 and KH2PO4 having similar R(OH) and R(OO) distances in the OH-O system. Similar calculations were also carried out for D2O.

show abstract

From neutron Compton profiles to momentum distribution: Assessment of direct numerical determination

Cited by 4 publications

References 31 publications

Electron-volt neutron spectroscopy: beyond fundamental systems

Electron-volt neutron spectroscopy: beyond fundamental systems

Atomic Quantum Dynamics in Materials Research

Proton dynamics in ice VII at high pressures

Contact Info

Product

Resources

About