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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Quasi-two-dimensional spin correlations in the triangular lattice bilayer spin glass LuCoGaO 4

Here we present a single-crystal time-of-flight neutron scattering study of the static and dynamic spin correlations in LuCoGaO 4 , a quasi-two-dimensional dilute triangular lattice antiferromagnetic spin-glass material. This system is based on Co 2+ ions that are randomly distributed on triangular bilayers within the YbFe 2 O 4 type, hexagonal crystal structure. Antiferromagnetic short-range two-dimensional correlations at wave vectors Q = (1/3,1/3, L) develop within the bilayers at temperatures as high as |Θ CW | ~100 K and extend over roughly five unit cells at temperatures below T g = 19 K. These two-dimensional static correlations are observed as diffuse rods of neutron scattering intensity along c * and display a continuous spin freezing process in their energy dependence. Aside from exhibiting these typical spin-glass characteristics, this insulating material reveals a novel gapped magnetic resonant spin excitation at ΔE ~12 meV localized around Q = (1 / 3, 1 / 3,L) . The temperature dependence of the spin gap associated with this two-dimensional excitation correlates with the evolution of the static correlations into the spin-glass state ground state. Lastly, we associate it with the effect of the staggered exchange field acting on the S eff = 1/2 Ising-like doublet of the Co 2+ moments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Diffusive and rotational dynamics of condensed n-H2 confined in MCM-41

In this paper, we report an inelastic neutron scattering study of liquid and solid n-H2 confined within MCM-41. This is a high surface area, mesoporous silica glass with a narrow pore size distribution centered at 3.5 nm. The scattering data provides information about the diffusive and rotational dynamics of the adsorbed n-H2 at low temperatures. In the liquid state, the neutron scattering data demonstrates that only a fraction of the adsorbed o-H2 is mobile on the picosecond time scale. This mobile fraction undergoes liquid-like jump diffusion, and values for the residence time t and effective mean-squared displacement hu2i are reported as a function of pore filling. In the solid state, the rotational energy levels of adsorbed H2 are strongly perturbed from their free quantum rotor behavior in the bulk solid. The underlying orientational potential of the hindered rotors is due to the surface roughness and heterogeneity of the MCM-41 pore walls. This potential is compared to the hindering potential of other porous silicas, such as Vycor. Strong selective adsorption makes the interfacial layer rich in o-H2, leaving the inner core volume consisting of a depleted mixture of o-H2 and p-H2.

Prisk, Timothy R↗
DOE OSTI2022

On the Importance of Using Event-Specific Wave Diffusion Rates in Modeling Diffuse Electron Precipitation

A few to tens of keV electron precipitation that carries substantial energy source down to the upper atmosphere to create aurora is manifested as an important magnetosphere-ionosphere coupling process. The precipitation is usually caused by scattering processes associated with plasma waves in the magnetosphere. The scattering process is often quantified by wave diffusion rates that indicate how fast an electron is scattered. Global models commonly use diffusion coefficients that are derived from statistical wave models. However, due to the statistical nature, many localized, transient features could be smeared out. In this study, we investigate electron precipitation using event-specific diffusion coefficients that are obtained based on simultaneous in-situ measured/inferred, rather than statistical, chorus wave dynamics. We find that the application of the event-specific diffusion coefficients associated with a more dynamic and intense chorus wave model leads more electrons, particularly at several to tens of keV in the dawn-to-noon sector at L > 3, to precipitate than using statistical coefficients. Here, the new simulation roughly captures both the intensity and variability of the precipitating flux as detected by the NOAA/POES satellites. Ionospheric electron density in the lower E region (100–120 km) observed by the mid-latitude Millstone Hill radar is also much better reproduced, while the case using statistical diffusion coefficients underestimates the ionization rate. This study implies the importance of using event-specific diffusion rates in simulating the diffuse electron precipitation and understanding the magnetosphere-ionosphere coupling.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

TRANSMISSION AND EMISSION OF SOLAR ENERGETIC PARTICLES IN SEMI-TRANSPARENT SHOCKS

While major solar energetic particle (SEP) events are associated with coronal mass ejection (CME)-driven shocks in solar wind, accurate SEP measurements reveal that more than one component of energetic ions exist in the beginning of the events. Solar electromagnetic emissions, including nuclear gamma-rays, suggest that high-energy ions could also be accelerated by coronal shocks, and some of those particles could contribute to SEPs in interplanetary space. However, the CME-driven shock in solar wind is thought to shield any particle source beneath the shock because of the strong scattering required for the diffusive shock acceleration. In this Letter, we consider a shock model that allows energetic particles from the possible behind-shock source to appear in front of the shock simultaneously with SEPs accelerated by the shock itself. We model the energetic particle transport in directions parallel and perpendicular to the magnetic field in a spherical shock expanding through the highly turbulent magnetic sector with an embedded quiet magnetic tube, which makes the shock semi-transparent for energetic particles. The model energy spectra and time profiles of energetic ions escaping far upstream of the shock are similar to the profiles observed during the first hour of some gradual SEP events.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Self-diffusion and microscopic dynamics in a gold-silicon liquid investigated with quasielastic neutron scattering

We use incoherent quasielastic neutron scattering to study the atomic dynamics of gold in a eutectic Au{sub 81}Si{sub 19} melt. Despite the glass-forming nature of this system, the gold self-diffusivity displays an Arrhenius behavior with a low activation energy characteristic of simple liquids. At high temperatures, long-range transport of gold atoms is well described by hydrodynamic theory with a simple exponential decay of the self-correlation function. On cooling towards the melting temperature, structural relaxation crosses over to a highly stretched exponential behavior. This suggests the onset of a heterogeneous dynamics, even in the equilibrium melt, and is indicative of a very fragile liquid.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Proximate spin liquid and fractionalization in the triangular antiferromagnet KYbSe 2

The Heisenberg triangular-lattice quantum spin liquid and its phase transitions to nearby magnetic orders have received much theoretical attention, but clear experimental manifestations of these states are rare. Here we demonstrate that a spin-half delafossite material, namely, KYbSe 2 , shows close proximity to the triangular-lattice Heisenberg quantum spin liquid. Using neutron scattering, we identify a diffuse continuum with a sharp lower bound within the measured spectra. Applying entanglement witnesses to the data indicates multipartite entanglement spread between its neighbours, and an analysis of its magnetic-exchange couplings reveals close proximity to the theoretical quantum spin-liquid phase. The key features of the data are reproduced by Schwinger boson theory and tensor network calculations with a substantial next-nearest-neighbour coupling. The strength of the dynamical structure factor at the Brillouin-zone K point shows a scaling collapse down to 0.3 K, indicating the existence of a second-order quantum phase transition. Finally, comparing this with previous theoretical work suggests that the proximate phase at a larger next-nearest-neighbour coupling is a gapped $\mathbb{Z}_{2}$ spin liquid, resolving a long-debated issue. Similar content being viewed by others

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

The dark matter diffused supernova neutrino background

We consider neutrinos scattering off Milky Way dark matter and the impact of this scattering on supernovae neutrinos. This can take the form of attenuation on the initial flux of neutrinos and a time-delayed flux of scattered neutrinos. Considering dark matter masses above 100 MeV and past Milky Way supernovae, we find this time-delayed flux is nearly constant in time. We call this flux the Dark Matter Diffused Supernova Neutrino Background (DMDSNB), and use Super-K limits on the Diffuse Supernova Neutrino Background (DSNB) flux to set limits on the dark matter-neutrino scattering cross section. We find σ DM-ν /m DM ≲ 2.4 × 10 -24 cm 2 /GeV for m DM ≳ 1 GeV, which is the strongest bound to date on dark matter-neutrino scatterings at MeV energies, and stronger than bounds set from SN1987A neutrino attenuation by an order of magnitude. We end by discussing how the DMDSNB could be distinguished from the DSNB.

dark matter theory↗
DOE OSTI2018

Ion Dynamics in Ionic-Liquid-Based Li-Ion Electrolytes Investigated by Neutron Scattering and Dielectric Spectroscopy

A detailed understanding of the diffusion mechanisms of ions in pure and doped ionic liquids remains an important aspect in the design of new ionic-liquid electrolytes for energy storage. Here, to gain more insight into the widely used imidazolium-based ionic liquids, the relationship between viscosity, ionic conductivity, diffusion coefficients, and reorientational dynamics in the ionic liquid 3-methyl-1-methylimidazolium bis(trifluoromethanesulfonyl)imide (DMIM-TFSI) with and without lithium bis(trifluoromethanesulfonyl)imide (Li-TFSI) was examined. The diffusion coefficients for the DMIM + cation and the role of ion aggregates were investigated by using the quasielastic neutron scattering (QENS) and neutron spin echo techniques. Two diffusion mechanisms are observed for the DMIM + cation with and without Li-TFSI, that is, translational and local. The data additionally suggest that Li + ion transport along with ion aggregates, known as the vehicle mechanism, may play a significant role in the ion diffusion process. These dielectric-spectroscopy investigations in a broad temperature and frequency range reveal a typical α–β-relaxation scenario. The α relaxation mirrors the glassy freezing of the dipolar ions, and the β relaxation exhibits the signatures of a Johari–Goldstein relaxation. In contrast to the translational mode detected by neutron scattering, arising from the decoupled faster motion of the DMIM + ions, the α relaxation is well coupled to the dc charge transport, that is, the average translational motion of all three ion species in the material. Finally, the local diffusion process detected by QENS is only weakly dependent on temperature and viscosity and can be ascribed to the typical fast dynamics of glass-forming liquids.

25 ENERGY STORAGE↗
DOE OSTI2014

Pr{sub 1.33}Pt{sub 4}Ga{sub 10}: Superstructure and magnetism

Pr{sub 1.33}Pt{sub 4}Ga{sub 10} crystals were prepared by Ga-flux method. The superstructure of this compound was studied by single-crystal X-ray diffraction (XRD), transmission electron microscopy (TEM), and diffuse X-ray scattering. Pr{sub 1.33}Pt{sub 4}Ga{sub 10} adopts the P6{sub 3}/mmc space group with a=b=4.3227(5) Å, c=16.485(3) Å: the structure features Pr{sub 2}Ga{sub 3} layers alternating with Pt{sub 2}Ga{sub 4} layers along the c-axis. TEM studies and pair distribution function (PDF) analysis of X-ray total scattering data show that Pr{sub 2}Ga{sub 3} layers possess an ordered superstructure (of dimension a′=a√(3)) in which Pr vacancies and Ga atoms are ordered within the ab-plane but disordered along the c-direction. PDF analysis also shows temperature-dependent structural features local to the Pr{sup 3+} ion. Magnetic measurements reveal that Pr{sup 3+} ions order ferrimagnetically below 12.5(2) K. - Graphical abstract: Left: Crystal structure of Pr{sub 1.33}Pt{sub 4}Ga{sub 10} showing Pr and Ga vacancies in the Pr{sub 2}Ga{sub 3} plane. Right: Tunneling electron microscopy (TEM) image of Pr{sub 1.33}Pt{sub 4}Ga{sub 10}. These vacancies have been studied using TEM and pair distribution function analysis. Magnetic measurements reveal that Pr{sup 3+} ions order ferrimagnetically below 7.8(2) K. - Highlights: • TEM studies indicate a superstructure from Pr and Ga vacancies. • Pair distribution function analyses may point to structural relaxation of vacancies. • Pr{sub 1.33}Pt{sub 4}Ga{sub 10} behaves as a ferromagnet and exhibits a metamagnetic transition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Visualizing the non-equilibrium dynamics of photoinduced intramolecular electron transfer with femtosecond X-ray pulses

Ultrafast photoinduced electron transfer preceding energy equilibration still poses many experimental and conceptual challenges to the optimization of photoconversion since an atomic-scale description has so far been beyond reach. Here we combine femtosecond transient optical absorption spectroscopy with ultrafast X-ray emission spectroscopy and diffuse X-ray scattering at the SACLA facility to track the non-equilibrated electronic and structural dynamics within a bimetallic donor–acceptor complex that contains an optically dark centre. Exploiting the 100-fold increase in temporal resolution as compared with storage ring facilities, these measurements constitute the first X-ray-based visualization of a non-equilibrated intramolecular electron transfer process over large interatomic distances. Thus experimental and theoretical results establish that mediation through electronically excited molecular states is a key mechanistic feature. The present study demonstrates the extensive potential of femtosecond X-ray techniques as diagnostics of non-adiabatic electron transfer processes in synthetic and biological systems, and some directions for future studies, are outlined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Local inversion-symmetry breaking in a bismuthate high-Tc superconductor

Abstract The doped perovskite BaBiO 3 exhibits a maximum superconducting transition temperature ( T c ) of 34 K and was the first high- T c oxide to be discovered, yet pivotal questions regarding the nature of both the metallic and superconducting states remain unresolved. Although it is generally thought that superconductivity in the bismuthates is of the conventional s -wave type, the pairing mechanism is still debated, with strong electron-phonon coupling and bismuth valence or bond disproportionation possibly playing a role. Here we use diffuse x-ray scattering and Monte Carlo modeling to study the local structure of Ba 1-x K x BiO 3 across its insulator-metal boundary. We find no evidence for either long- or short-range disproportionation, which resolves a major conundrum, as disproportionation and the related polaronic effects are likely not relevant for the metallic and superconducting states. Instead, we uncover nanoscale structural correlations that break inversion symmetry, with far-reaching implications for the electronic physics. This unexpected finding furthermore establishes that the bismuthates belong to the broader classes of materials with hidden spin-orbit coupling and a tendency towards inversion-breaking displacements.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Visualization of dynamic polaronic strain fields in hybrid lead halide perovskites

Excitation localization involving dynamic nanoscale distortions is a central aspect of photocatalysis, quantum materials and molecular optoelectronics. Experimental characterization of such distortions requires techniques sensitive to the formation of point-defect-like local structural rearrangements in real time. Here, we visualize excitation-induced strain fields in a prototypical member of the lead halide perovskites via femtosecond resolution diffuse X-ray scattering measurements. Here, this enables momentum-resolved phonon spectroscopy of the locally distorted structure and reveals radially expanding nanometre-scale strain fields associated with the formation and relaxation of polarons in photoexcited perovskites. Quantitative estimates of the magnitude and shape of this polaronic distortion are obtained, providing direct insights into the dynamic structural distortions that occur in these materials. Optical pump–probe reflection spectroscopy corroborates these results and shows how these large polaronic distortions transiently modify the carrier effective mass, providing a unified picture of the coupled structural and electronic dynamics that underlie the optoelectronic functionality of the hybrid perovskites.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Serial femtosecond X-ray diffraction of enveloped virus microcrystals

Serial femtosecond crystallography (SFX) using X-ray free-electron lasers has produced high-resolution, room temperature, time-resolved protein structures. We report preliminary SFX of Sindbis virus, an enveloped icosahedral RNA virus with ~700 Å diameter. Microcrystals delivered in viscous agarose medium diffracted to ~40 Å resolution. Small-angle diffuse X-ray scattering overlaid Bragg peaks and analysis suggests this results from molecular transforms of individual particles. Viral proteins undergo structural changes during entry and infection, which could, in principle, be studied with SFX. This is a pertinent step toward determining room temperature structures from virus microcrystals that may enable time-resolved studies of enveloped viruses.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Probing Diffuse Polymer Brush Interfaces Using Resonant Soft X-ray Scattering

The success of a neutron or x-ray scattering experiment relies on sufficient signal from the system being studied. The intensity of scattered radiation depends on instrument resolution, the structure of the scattering elements, and the interaction between the incident radiation and the sample—so-called ‘scattering contrast’. The contrast depends on the square of the difference in the scattering length densities (SLDs) for each component, and each SLD depends on the atoms and radiation involved (eq. 1). For neutrons, the scattering lengths bi are specific to the type of nuclei involved. For conventional x-ray scattering, b i depends on the electron density and thus the atomic number Z.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Hot electromagnetic outflows. III. Displaced fireball in a strong magnetic field

The evolution of a dilute electron-positron fireball is calculated in the regime of strong magnetization and high compactness (ℓ ∼ 10{sup 3}-10{sup 8}). Heating is applied at a low effective temperature (<25 keV), appropriate to breakout from a confining medium, so that relaxation to a blackbody is inhibited by pair annihilation. The diffusion equation for Compton scattering by thermal pairs is coupled to a trans-relativistic cyclo-synchrotron source. We find that the photon spectrum develops a quasi-thermal peak at energy ∼0.1 m{sub e}c {sup 2} in the comoving frame, with a power-law slope below it that is characteristic of gamma-ray bursts (GRBs; F{sub ω} ∼ const). The formation of a thermal high-energy spectrum is checked using the full kinetic equations. Calculations for a baryon-dominated photosphere reveal a lower spectral peak energy, and a harder low-energy spectrum, unless ion rest mass carries ≲ 10{sup –5} of the energy flux. We infer that (1) the GRB spectrum is inconsistent with the neutron-rich wind emitted by a young magnetar or neutron torus, and points to an event horizon in the engine; (2) neutrons play a negligible role in prompt gamma-ray emission; (3) the relation between observed peak frequency and burst energy is bounded below by the observed Amati relation if the Lorentz factor ∼(opening angle){sup –1} at breakout, and the jet is surrounded by a broader sheath that interacts with a collapsing stellar core; (4) X-ray flashes are consistent with magnetized jets with ion-dominated photospheres; (5) high-frequency Alfvén waves may become charge starved in the dilute pair gas; (6) limitations on magnetic reconnection from plasma collisionality have been overestimated.

79 ASTRONOMY AND ASTROPHYSICS↗