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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Lower hybrid current drive in a tokamak for correlated passes through resonance

Standard quasilinear descriptions are based on the constant magnetic field form of the quasilinear operator so improperly treat the trapped electron modifications associated with tokamak geometry. Moreover, successive poloidal transits of the Landau resonance during lower hybrid current drive in a tokamak are well correlated, and these geometrical details must be properly retained to account for the presence of trapped electrons that do not contribute to the driven current. The recently derived quasilinear operator in tokamak geometry accounts for these features and finds that the quasilinear diffusivity is proportional to a delta function with a transit or bounce averaged argument (rather than a local Landau resonance condition). The new quasilinear operator is combined with the Cordey (Nucl. Fusion, vol. 16, 1976, pp. 499–507) eigenfunctions to properly derive a rather simple and compact analytic expression for the trapped electron modifications to the driven lower hybrid current and the efficiency of the current drive.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Localized UV emitters on the surface of β-Ga 2 O 3

Abstract Monoclinic gallium oxide (β-Ga 2 O 3 ) is attracting intense focus as a material for power electronics, thanks to its ultra-wide bandgap (4.5–4.8 eV) and ability to be easily doped n -type. Because the holes self-trap, the band-edge luminescence is weak; hence, β-Ga 2 O 3 has not been regarded as a promising material for light emission. In this work, optical and structural imaging methods revealed the presence of localized surface defects that emit in the near-UV (3.27 eV, 380 nm) when excited by sub-bandgap light. The PL emission of these centers is extremely bright—50 times brighter than that of single-crystal ZnO, a direct-gap semiconductor that has been touted as an active material for UV devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Singlet and triplet excitons and charge polarons in cycloparaphenylenes. A density functional theory study

Conformational structure and the electronic properties of various electronic excitations in cycloparaphenylenes (CPPs) are calculated using hybrid Density Functional Theory (DFT). The results demonstrate that wavefunctions of singlet and triplet excitons as well as the positive and negative polarons remain fully delocalized in CPPs. In contrast, these excitations in larger CPP molecules become localized on several phenyl rings, which are locally planarized, while the undeformed ground state geometry is preserved on the rest of the hoop. As evidenced by the measurements of bond-length alternation and dihedral angles, localized regions show stronger hybridization between neighboring bonds and thus enhanced electronic communication. This effect is even more significant in the smaller hoops, where phenyl rings have strong quinoid character in the ground state. Thus, upon excitation, electron–phonon coupling leads to the self-trapping of the electronic wavefunction and release of energy from fractions of an eV up to two eVs, depending on the type of excitation and the size of the hoop. The impact of such localization on electronic and optical properties of CPPs is systematically investigated and compared with the available experimental measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Laser Refrigeration of Ytterbium-Doped Sodium–Yttrium–Fluoride Nanowires

Sodium yttrium fluoride (ß-NaYF4) nanowires (NWs) with a hexagonal crystal structure are synthesized using a low-cost hydrothermal process and are shown to undergo laser refrigeration based on an upconversion process leading to anti-Stokes (blueshifted) photoluminescence. Single-beam laser trapping combined with forward light scattering is used to investigate cryophotonic laser refrigeration of individual NWs through analysis of their local Brownian dynamics.

Zhou, Xuezhe↗
DOE OSTI2017

Diffraction imaging for seal evaluation using ultra high resolution 3D seismic data

Cap rock is any impermeable or low permeability formation that may trap oil, gas or water, preventing it from migrating to the surface. Evaluation of sealing properties of the cap rock is a critical task for seismic exploration. It is important for oil and gas prospecting as well as for locating reservoirs appropriate for carbon dioxide storage. The latter has been proposed as one solution to global climate change caused by heat-trapping anthropogenic gasses in the atmosphere. A fluid escaped from the reservoir fills voids in the overlying strata thereby causing local changes of acoustic properties. We aim to explore such fluid-saturated areas and thus evaluate sealing properties of underlying cap rocks. We assume that local acoustic impedance changes caused by fluid migration generate seismic diffractions. We isolate diffracted waves from P-Cable seismic data acquired over the area of interest and perform diffraction analysis of the near-surface interval (above 200 m). In the diffraction image obtained, we interpret an extensive system of broad sinuous channels, narrow linear faults, and diffuse fracture networks. In addition, we detect high diffractivity anomalies, which extend vertically and laterally. We note no evidence of these anomalies in a conventional seismic image and associated seismic attribute (similarity and fracture density) volumes. We associate this high diffractivity to a variable pore fluid composition and saturation, which we infer to be due to hydrocarbon migration from the underlying strata. Consequently, we conclude poor seal quality for the underlying cap rocks. During data processing, we test diffraction focusing analysis for velocity model building. In conclusion, this option appears quite valuable for P-Cable data processing because of short offset and limitations of the standard velocity analysis.

58 GEOSCIENCES↗
DOE OSTI2018

Ultrashort Carbon Nanotubes That Fluoresce Brightly in the Near-Infrared

The intrinsic near-infrared photoluminescence observed in long single-walled carbon nanotubes is known to be quenched in ultrashort nanotubes due to their tiny size as compared to the exciton diffusion length in these materials (>100 nm). Here in this study, we show that intense photoluminescence can be created in ultrashort nanotubes (~40 nm length) upon incorporation of exciton-trapping sp 3 defect sites. Using super-resolution photoluminescence imaging at <25 nm resolution, we directly show the preferential localization of excitons at the nanotube ends, which separate by less than 40 nm and behave as independent emitters. Lastly, this unexpected observation opens the possibility to synthesize fluorescent ultrashort nanotubes—a goal that has been long thought impossible—for bioimaging applications, where bright near-infrared photoluminescence and small size are highly desirable, and for quantum information science, where high quality and well-controlled near-infrared single photon emitters are needed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound

The phase behavior and the homogeneous nucleation of an equimolar mixture of octahedra and cuboctahedra are studied using thermodynamic integration, Gibbs-Duhem integration, and umbrella sampling simulations. The components of this mixture are modeled as polybead objects of equal edge lengths so that they can assemble into a space-filling compound with the CsCl crystal structure. Taking as reference the hard-core system where the compound crystal does not spontaneously nucleate, we quantified the effect of inter-species selective interactions on facilitating the disorder-to-order transition. Facet selective and facet non-selective inter-species attractions were considered, and while the former was expectedly more favorable toward the target tessellating structure, the latter was found to be similarly effective in nucleating the crystal compound. Ranges for the strength of attractions and degree of supersaturation were identified where the nucleation free-energy barrier was small enough to foretell a fast process but large enough to prevent spinodal fluctuations that can trap the system in dense metastable states lacking long-range order. At those favorable conditions, the tendency toward the local orientational order favored by packing entropy is amplified and found to play a key role seeding nuclei with the CsCl structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Multimodal Microchannel and Nanowell-Based Microfluidic Platforms for Bioimaging

Modern live-cell imaging approaches permit real-time visualization of biological processes. However, limitations for unicellular organism trapping, culturing and long-term imaging can preclude complete understanding of how such microorganisms respond to perturbations in their local environment or linking single-cell variability to whole population dynamics. We have developed microfluidic platforms to overcome prior technical bottlenecks to allow both chemostat and compartmentalized cellular growth conditions using the same device. Additionally, a nanowell-based platform enables a high throughput approach to scale up compartmentalized imaging optimized within the microfluidic device. These channel and nanowell platforms are complementary, and both provide fine control over the local environment as well as the ability to add/replace media components at any experimental time point.

bioimaging↗
NASA NTRS1971

Local-time survey of plasma at low altitudes over the auroral zones

A local-time survey of the low energy proton and electron intensities precipitated into the earth's atmosphere during periods of magnetic quiescence was constructed. A typical, individual satellite crossing of this region in each of eight local-time sectors was selected from a library of similar observations with the polar-orbiting satellite Injun 5. The trapping boundary for more energetic electron intensities, E 45 keV, is a natural coordinate for delineating the boundary between the two major types of lower energy, 50 or = E or = 15,000 eV. The main contributors to electron energy influx are inverted V precipitation poleward of the trapping boundary and the plasma sheet intensities equatorward. These are interpreted in terms of a magnetospheric model.

Frank, L. A.↗
NASA NTRS1974

The motion of a proton in the equatorial magnetosphere

A proton of low energy moving in the equatorial plane of the earth will experience drift motions due to both the magnetic field (magnetic gradient drift only, if the field is assumed to be that of a dipole) and the electric field. The electric drift again separates into two parts - the drift due to the main electric field (or convection electric field) existing in the frame of the earth, and that due to the earth's rotation. One result indicated by this work is that at distances of 4 - 6 earth radii, a transition from trapped proton orbits to open trajectories leading to the tail occurs at about 10 kev, the precise value depending upon local time. Such a transition also seems to be indicated by particle observations using Explorer 45. The energy spectrum (at magnetically quiet times) of equatorial protons above this energy can be explained by charge exchange but increased flux observed below it seems to be related to the influx of particles on open orbits from the tail.

Stern, D. P.↗
NASA NTRS1987

Pitch angle distributions of low-energy ions in the near-earth magnetosphere

Energetic ion composition data acquired by satellite have been used to study the characteristics of ion pitch angle distributions in the near-earth magnetosphere. Both H(+) and O(+) ions below 1 keV were most frequently observed to have bidirectional field-aligned or conical pitch angle distributions inside L of about 6, with the exception of highly trapped H(+) very near the magnetic equator. The occurrence probability distributions of counterstreaming ions (CSI) and bidirectional conics in magnetic local time and L shell space suggest that the observed CSI were formed near the postmidnight sector and subsequently drifted eastward, and that ions close to the field-aligned direction were probably lost due to charge exchange with atmospheric hydrogen in the course of their eastward drift. In the prenoon sector, conical distributions dominated. Bidirectional ions were vary rarely observed in the afternoon sector, presumably because their drift paths crossed the magnetopause into the dayside magnetosheath.

Sagawa, E.↗
NASA NTRS1992

Radial vibrations of a sodium ion inside icosahedral C60

The very high symmetry of icosahedral C60 suggests that, as a first approximation, an atom trapped inside C60 would be subject to a potential that is radially symmetric about the center. All-electron local-density-functional calculations of the total energy of a sodium ion as a function of radial displacement from the center along the fivefold axis of C60 serve to refine such a radial potential. In particular, the calculations suggest studying potentials that have minima displaced from the center. An analytic functional form for a radial potential having a positive cusp at the origin is proposed, and the s-wave radial solutions of the corresponding Schroedinger equation are examined.

Ballester, J. L.↗
NASA NTRS2001

Visual assessment of the radiation distribution in the ISS Lab module: visualization in the human body

The US Lab module of the International Space Station (ISS) is a primary working area where the crewmembers are expected to spend majority of their time. Because of the directionality of radiation fields caused by the Earth shadow, trapped radiation pitch angle distribution, and inherent variations in the ISS shielding, a model is needed to account for these local variations in the radiation distribution. We present the calculated radiation dose (rem/yr) values for over 3,000 different points in the working area of the Lab module and estimated radiation dose values for over 25,000 different points in the human body for a given ambient radiation environment. These estimated radiation dose values are presented in a three dimensional animated interactive visualization format. Such interactive animated visualization of the radiation distribution can be generated in near real-time to track changes in the radiation environment during the orbit precession of the ISS.

NASA Center JSC↗
DOE OSTI2025

Vortex-Controlled Quasiparticle Multiplication and Self-Growth Dynamics in Superconducting Resonators

Even in the quantum limit, non-equilibrium quasiparticle (QP) populations induce QP poisoning that irreversibly relaxes the quantum state and significantly degrades the coherence of transmon qubits. A particularly detrimental yet previously unexplored mechanism arises from QP multiplication facilitated by vortex trapping in superconducting quantum circuits, where a high-energy QP relaxes by breaking additional Cooper pairs and amplifying the QP population due to the locally reduced excitation gap and enhanced quantum confinement within the vortex core. Here we directly resolve this elusive QP multiplication process by revealing vortex-controlled QP self-generation in a highly nonequilibrium regime preceding the phonon bottleneck of QP relaxation. At sufficiently low fluence, femtosecond-resolved magneto-reflection spectroscopy directly reveals a continuously increasing QP population that is strongly dependent on magnetic-field-tuned vortex density and absent at higher excitation fluences. Quantitative analysis of the emergent QP pre-bottleneck dynamics further reveals that, although the phonon population saturates within $\simeq$10~ps, both free and trapped QPs continue to grow in a self-sustained manner--hallmarks of the long-anticipated QP-vortex interactions in nonequilibrium superconductivity. We estimate a substantial increase of $\sim$34% in QP density at vortex densities of $\sim$ 100 magnetic flux quanta per $\mathrm{μm^{2}}$. Our findings establish a powerful spectroscopic tool for uncovering QP multiplication and reveal vortex-assisted QP relaxation as a critical materials bottleneck whose mitigation will be essential for resolving QP poisoning and enhancing coherence in superconducting qubits.

Park, Joong M. [Ames Lab]↗
DOE OSTI2016

MIGRATION TRAPS IN DISKS AROUND SUPERMASSIVE BLACK HOLES

Accretion disks around supermassive black holes (SMBHs) in active galactic nuclei (AGNs) contain stars, stellar mass black holes, and other stellar remnants, which perturb the disk gas gravitationally. The resulting density perturbations exert torques on the embedded masses causing them to migrate through the disk in a manner analogous to planets in protoplanetary disks. We determine the strength and direction of these torques using an empirical analytic description dependent on local disk gradients, applied to two different analytic, steady-state disk models of SMBH accretion disks. We find that there are radii in such disks where the gas torque changes sign, trapping migrating objects. Our analysis shows that major migration traps generally occur where the disk surface density gradient changes sign from positive to negative, around 20–300R{sub g}, where R{sub g} = 2GM/c{sup 2} is the Schwarzschild radius. At these traps, massive objects in the AGN disk can accumulate, collide, scatter, and accrete. Intermediate mass black hole formation is likely in these disk locations, which may lead to preferential gap and cavity creation at these radii. Our model thus has significant implications for SMBH growth as well as gravitational wave source populations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Direct observation of the local microenvironment in inhomogeneous CO 2 reduction gas diffusion electrodes via versatile pOH imaging

In this study, we report how the micrometer-scale morphology of a carbon dioxide reduction (CO 2 R) gas diffusion electrode (GDE) affects the mass transport properties and with it, the local CO 2 R performance. We developed a technique to probe the microenvironment in a CO 2 R GDE via local pOH imaging with time- and three-dimensional spatial, micrometer-scale resolution. The local activity of hydroxide anions (OH - ), represented by the pOH value, around a GDE in contact with an aqueous electrolyte is a crucial parameter that governs the catalytic activity and CO 2 R selectivity. Here, we use fluorescence confocal laser scanning microscopy (CLSM) to create maps of the local pOH around a copper GDE by combining two ratiometric fluorescent dyes, one of which is demonstrated as a pOH sensor for the first time in this work. We observe that the local pOH decreases when current is applied due to the creation of OH - as a byproduct of CO 2 R. Interestingly, the pOH is lower inside microtrenches compared to the electrode surface and decreases further as trenches become more narrow due to enhanced trapping of OH - . We support our experimental results with multiphysics simulations that correlate exceptionally well with measurements. These simulations additionally suggest that the decreased pOH inside microcavities in the surface of a CO 2 R GDE leads to locally enhanced selectivity towards multicarbon (C 2+ ) products. This study suggests that narrow microstructures on the length scale of 5 μm in a GDE surface serve as local CO 2 R hotspots, and thus highlights the importance of a GDE's micromorphology on the CO 2 R performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Dynamics of Magnus-dominated particle clusters, collisions, pinning, and ratchets

Motivated by the recent work in skyrmions and active chiral matter systems, we examine pairs and small clusters of repulsively interacting point particles in the limit where the dynamics is dominated by the Magnus force. We find that particles with the same Magnus force can form stable pairs, triples, and higher ordered clusters or exhibit chaotic motion. For mixtures of particles with opposite Magnus force, particle pairs can combine to form translating dipoles. Under an applied drive, particles with the same Magnus force translate; however, particles with different or opposite Magnus force exhibit a drive-dependent decoupling transition. When the particles interact with a repulsive obstacle, they can form localized orbits with depinning or unwinding transitions under an applied drive. We examine the interaction of these particles with clusters or lines of obstacles and find that the particles can become trapped in orbits that encircle multiple obstacles. Under an ac drive, we observe a series of ratchet effects, including ratchet reversals, for particles interacting with a line of obstacles due to the formation of commensurate orbits. Lastly, in assemblies of particles with mixed Magnus forces of the same sign, we find that the particles with the largest Magnus force become localized in the center of the cluster, while for mixtures with opposite Magnus forces, the motion is dominated by transient local pairs or clusters, where the translating pairs can be regarded as a form of active matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Recent Advances on Carrier and Exciton Self-Trapping in Strontium Titanate: Understanding the Luminescence Emissions

An up-to-date review on recent results for self-trapping of free electrons and holes, as well as excitons, in strontium titanate (STO), which gives rise to small polarons and self-trapped excitons (STEs) is presented. Special attention is paid to the role of carrier and exciton self-trapping on the luminescence emissions under a variety of excitation sources with special emphasis on experiments with laser pulses and energetic ion-beams. In spite of the extensive research effort, a definitive identification of such localized states, as well as a suitable understanding of their operative light emission mechanisms, has remained lacking or controversial. However, promising advances have been recently achieved and are the objective of the present review. In particular, significant theoretical advances in the understanding of electron and hole self-trapping are discussed. Also, relevant experimental advances in the kinetics of light emission associated with electron-hole recombination have been obtained through time-resolved experiments using picosecond (ps) laser pulses. The luminescence emission mechanisms and the light decay processes from the self-trapped excitons are also reviewed. Recent results suggest that the blue emission at 2.8 eV, often associated with oxygen vacancies, is related to a transition from unbound conduction levels to the ground singlet state of the STE. The stabilization of small electron polarons by oxygen vacancies and its connection with luminescence emission are discussed in detail. Through ion-beam irradiation experiments, it has recently been established that the electrons associated with the vacancy constitute electron polaron states (Ti 3+ ) trapped in the close vicinity of the empty oxygen sites. These experimental results have allowed for the optical identification of the oxygen vacancy center through a red luminescence emission centered at 2.0 eV. Ab-initio calculations have provided strong support for those experimental findings. Finally, the use of Cr-doped STO has offered a way to monitor the interplay between the chromium centers and oxygen vacancies as trapping sites for the electron and hole partners resulting from the electronic excitation.

36 MATERIALS SCIENCE↗