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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Twilight airglow. I - Photoelectrons and forbidden O I 5577-angstrom radiation.

A payload consisting of a number of experiments to study the earth's atmosphere was launched from White Sands on Feb. 8, 1971. The differential photoelectron flux spectrum was measured as a function of altitude. The energy distribution revealed the N2 vibrational structure appearing at 2.8 V, rising to a maximum at 4 eV, decreasing to an 8-volt-wide plateau at 20 V, and then further decreasing. The ion and electron density distributions were measured simultaneously. An optical measurement of forbidden O I 5577-A radiation was made. Both electron impact on atomic oxygen and dissociative recombination of O2(+) were found to produce this emission above 150 km. The recombination rate for the O(1 S) found from a reported nightglow profile is 2.5 plus or minus 1.5 x 10 to the minus 9th cu cm/sec. Between 140 and 120 km, photodissociation is a source of 5577 radiation. Chapman three-body recombination is dominant below 120 km.

Hays, P. B.↗
NASA NTRS1979

A theory of local and global processes which affect solar wind electrons. 2: Experimental support

The microscopic characteristics of the Coulomb cross section show that there are three natural subpopulations for plasma electrons: the subthermals with local kinetic energy E kT sub c; the transthermals with kT sub c E 7 kT sub c and the extrathermals E 7 kT sub c. Data from three experimental groups on three different spacecraft in the interplanetary medium over a radial range are presented to support the five interrelations projected between solar wind electron properties and changes in the interplanetary medium: (1) subthermals respond primarily to local changes (compression and rarefactions) in stream dynamics; (2) the extrathermal fraction of the ambient electron density should be anti-correlated with the asymptotic bulk speed; (3) the extrathermal "temperature" should be anti-correlated with the local wind speed at 1 AU; (4) the heat flux carried by electrons should be anti-correlated with the local bulk speed; and (5) the extrathermal differential 'temperature' should be nearly independent of radius within 1 AU.

Scudder, J. D.↗
NASA NTRS1988

The computation of hypersonic ionized flows in chemical and thermal nonequlibrium

A numerical method to compute a two-dimensional hypersonic flowfield that is ionized and in thermochemical nonequilibrium has been developed. Such a flowfield is described by coupled time-dependent partial differential equations for the conservation of species mass, mass-average momentum, vibrational energy of each diatomic species, electron energy, and total mass-averaged energy. The steady-state solution to these fully coupled equations is obtained using an implicit Gauss-Seidel line relaxation technique. The computed electron densities in the flowfield compare well with experimental results.

Maccormack, Robert W.↗
DOE OSTI2021

Visualizing delocalized correlated electronic states in twisted double bilayer graphene

Abstract The discovery of interaction-driven insulating and superconducting phases in moiré van der Waals heterostructures has sparked considerable interest in understanding the novel correlated physics of these systems. While a significant number of studies have focused on twisted bilayer graphene, correlated insulating states and a superconductivity-like transition up to 12 K have been reported in recent transport measurements of twisted double bilayer graphene. Here we present a scanning tunneling microscopy and spectroscopy study of gate-tunable twisted double bilayer graphene devices. We observe splitting of the van Hove singularity peak by ~20 meV at half-filling of the conduction flat band, with a corresponding reduction of the local density of states at the Fermi level. By mapping the tunneling differential conductance we show that this correlated system exhibits energetically split states that are spatially delocalized throughout the different regions in the moiré unit cell, inconsistent with order originating solely from onsite Coulomb repulsion within strongly-localized orbitals. We have performed self-consistent Hartree-Fock calculations that suggest exchange-driven spontaneous symmetry breaking in the degenerate conduction flat band is the origin of the observed correlated state. Our results provide new insight into the nature of electron-electron interactions in twisted double bilayer graphene and related moiré systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Generation of large scale field-aligned density irregularities in ionospheric heating experiments

Threshold and growth rate for stimulated Brillouin scattering are calculated for a uniform magnetoplasma. These are then compared with the threshold and growth rate of a new thermal instability in which the nonlinear Lorentz force felt by the electrons at the beat frequency of the two electromagnetic waves is replaced by a pressure force due to differential heating in the interference pattern of the pump wave and the generated electromagnetic wave. This thermal instability, which is still essentially stimulated Brillouin scattering, has a threshold which is especially low when the propagation vector of the beat wave is almost normal to the magnetic field. The threshold is then considerably lower than the threshold for normal stimulated Brillouin scattering and therefore this new instability is probably responsible for the generation of large scale field aligned irregularities and ionospheric spread F.

Fejer, J. A.↗
DOE OSTI2025

Morphology Effects on Free Energies of Proton-Coupled Electron Transfer in Polyoxotungstates

Polyoxotungstates have previously been established to facilitate the hydrogenation of small molecule substrates via hydrogen atom transfer from reactive hydroxyl groups formed at the assembly surface. Understanding structure−function relationships that dictate the thermochemistry and kinetics of protoncoupled electron transfer is key to controlling this chemistry. In this work, we combine comprehensive electrochemical experiments and density functional theory calculations to address how different polyoxotungstate morphologies, specifically W 6 O 19 −2 , W 10 O 32 −4 , SiW 12 O 40 −4 , and P 2 W 18 O 62 −6 , affect the bond dissociation free energies of surface hydroxides (BDFE(O−H)) formed upon reduction of the assembly in acidic media. Our results reveal increasing hydroxide bond strengths with increasing cluster size, and that anisotropic cluster geometries result in substantial thermodynamic differentiation of H-binding sites. We demonstrate an excellent agreement between theory and experiments on the reported BDFE(O−H) values and, importantly, we elucidate how cluster size and shape affect electronic properties (local charges and frontier molecular orbitals), giving rise to sites with increased preference for hydrogen binding, demonstrated in higher BDFE(O−H). Overall, this work aids the understanding and design of polyoxometalates exhibiting surface sites with tailored interaction strengths.

anions↗
DOE OSTI2024

Interface-modulated kinetic differentials in electron and hole transfer rates as a key design principle for redox photocatalysis by Sb2VO5/QD heterostructures

The efficient conversion of solar energy to chemical energy represents a critical bottleneck to the energy transition. Photocatalytic splitting of water to generate solar fuels is a promising solution. Semiconductor quantum dots (QDs) are prime candidates for light-harvesting components of photocatalytic heterostructures, given their size-dependent photophysical properties and band-edge energies. A promising series of heterostructured photocatalysts interface QDs with transition-metal oxides which embed midgap electronic states derived from the stereochemically active electron lone pairs of p-block cations. Here, we examine the thermodynamic driving forces and dynamics of charge separation in Sb2VO5/CdSe QD heterostructures, wherein a high density of Sb 5s2-derived midgap states are prospective acceptors for photogenerated holes. Hard-x-ray valence band photoemission spectroscopy measurements of Sb2VO5/CdSe QD heterostructures were used to deduce thermodynamic driving forces for charge separation. Interfacial charge transfer dynamics in the heterostructures were examined as a function of the mode of interfacial connectivity, contrasting heterostructures with direct interfaces assembled by successive ion layer adsorption and reaction (SILAR) and interfaces comprising molecular bridges assembled by linker-assisted assembly (LAA). Transient absorption spectroscopy measurements indicate ultrafast (<2 ps) electron and hole transfer in SILAR-derived heterostructures, whereas LAA-derived heterostructures show orders of magnitude differentials in the kinetics of hole (<100 ps) and electron (∼1 ns) transfer. The interface-modulated kinetic differentials in electron and hole transfer rates underpin the more effective charge separation, reduced charge recombination, and greater photocatalytic efficiency observed for the LAA-derived Sb2VO5/CdSe QD heterostructures.

Chemistry↗
DOE OSTI2026

Engineering diamond interfaces free of dark spins

Nitrogen-vacancy (NV) centers in diamond are utilized extensively as quantum sensors for imaging fields at the nanoscale. The ultrahigh sensitivity of NV magnetometers has enabled the detection and spectroscopy of individual electron spins, with potentially far-reaching applications in condensed matter physics, spintronics, and molecular biology. However, the surfaces of these diamond sensors naturally contain electron spins, which create a background signal that can be hard to differentiate from the signal of the target spins. In this study, we develop a surface modification approach that eliminates the unwanted signal of these so-called dark electron spins. Our surface passivation technique, based on coating diamond surfaces with a thin titanium oxide (Ti⁢O 2 ) layer, reduces the dark spin density. The observed reduction in dark spin density aligns with our findings on the electronic structure of the diamond-Ti⁢O 2 interface. The reduction, from a typical value of 2000 μm −2 to a value below that set by the detection limit of our NV sensors (200 μm −2 ), results in a twofold increase in Hahn-echo coherence time of near surface NV centers. Furthermore, we derive a comprehensive spin model that connects dark spin relaxation with NV coherence, providing additional insights into the mechanisms behind the observed spin dynamics. Our findings are directly transferable to other quantum platforms, including nanoscale solid-state qubits and superconducting qubits.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRSDate not supplied

Spacecraft Charging as an Asset to Interplanetary Small Spacecraft

Small spacecraft operate on a far more limited power budget than their larger counterparts, a problem compounded for interplanetary spacecraft in the outer solar system. The reduced solar flux beyond Earth’s orbit makes solar panels less effective for spacecraft exploring the gas giants and can they are susceptible to damage by intense radiation belts. Radioisotope thermoelectric generators are expensive and bulky compared to their power output. Interplanetary small satellite missions benefit from both alternative energy sources and low-power electronics to power their buses and scientific payloads. Traditionally, spacecraft engineers treat the space environment as a hazard, but it nevertheless offers a potential solution. Currents from space plasmas charge spacecraft to high potentials and can cause electrical arcing to occur between differentially charged surfaces. The spacecraft can harvest a small amount of power —<10 mW/m2at Jupiter — from the electric field between these surfaces to do useful work, either by charging a battery or directly powering an instrument or actuator. While using the energy directly has limited use due to the low electron density and temperature of most space plasmas, it can nevertheless be used in situations where solar panels are not desirable, such as high radiation environments. Two applications — a Langmuir probe and an attitude control actuator — exploit the disparate current-voltage characteristics between surfaces with different material properties and require minimal input power to operate.

Spacecraft↗
NASA NTRSDate not supplied

Spacecraft Charging as an Asset to Interplanetary Small Spacecraft

Small spacecraft operate on a far more limited power budget than their larger counterparts, a problem compounded for interplanetary spacecraft in the outer solar system. The reduced solar flux beyond Earth’s orbit makes solar panels less effective for spacecraft exploring the gas giants and they are susceptible to damage by intense radiation belts. Radioisotope thermoelectric generators are expensive and bulky compared to their power output. Interplanetary small satellite missions benefit from both alternative energy sources and low-power electronics to power their buses and scientific payloads. Traditionally, spacecraft engineers treat the space environment as a hazard, but it nevertheless offers a potential solution. Currents from space plasmas charge spacecraft to high potentials and can cause electrical arcing to occur between differentially charged surfaces. The spacecraft can harvest a small amount of power —<10 mW/m2at Jupiter — from the electric field between these surfaces to do useful work, either by charging a battery or directly powering an instrument or actuator. While using the energy directly has limited use due to the low electron density and temperature of most space plasmas, it can nevertheless be used in situations where solar panels are not desirable, such as high radiation environments. Two applications — a Langmuir probe and an attitude control actuator — exploit the disparate current-voltage characteristics between surfaces with different material properties and require minimal input power to operate.

spacecraft charging↗
DOE OSTI2020

Determining the hydration energetics on carbon-supported Ru catalysts: An adsorption calorimetry and density functional theory study

Fundamental knowledge on the energetics at the interface between a water layer and a metal catalyst is essential so as to understand the roles that water can play in the synthesis, activation and regeneration of noble metal-based catalysts. Here, we report the direct measurement of the enthalpy of water adsorption (Δh ads ) on activated carbon (C) and activated C-supported Ru nanoparticles, which are promising catalyst as applied to the hydrogenation/hydrodeoxygenation (HDO) of oxygenates (phenolics, aldehydes, etc.). Specifically, the near-zero coverage enthalpy of water adsorption on a C-supported Ru catalyst is -75.3 ± 0.4 kJ/(mol water), suggesting favorable water–metal binding. This is much more exothermic than that on C, which has an enthalpy of adsorption of -50.3 ± 1.3 kJ/(mol water). Despite the favorable initial binding, the magnitudes of enthalpies of water condensation on C and Ru-C indicate that overall, their surfaces are both hydrophobic. Moreover, the experimentally-measured near-zero coverage water adsorption enthalpy at the Ru sites is in very good agreement with our density functional theory based calculations. At low coverages, we obtain a water binding energy of -61.7 kJ/(mol water), which increases to -78.1 kJ/(mol water) at saturation. Complementary results are also obtained from a thermal analysis, which employed a thermogravimetric analysis–differential scanning calorimetry–mass spectrometry (TG-DSC-MS), a spectroscopic investigation using ex situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and a morphological evaluation with transmission electron microscopy (TEM). We point out that in carbon-supported metal catalysts, such as Ru-C, a strong hydration at near-zero coverage and relative weak water-surface interactions occurs upon saturation. Such heterogeneity is essential and crucial for catalytic hydrogenation/HDO reactions that involve balanced interactions among the water-rich reactant mixture and nonpolar organic products.

09 BIOMASS FUELS↗
NASA NTRS1973

The characteristics of a possible low altitude electron layer in the Martian atmosphere

The apparent diurnal Martian surface pressure variation, as deduced from radio occultation experiments, is discussed and explained as possibly arising from the effect of a low altitude electron layer. Possible source and loss mechanisms for the low altitude electron layer are presented and discussed. Time-dependent differential equations describing the electron layer are derived and then integrated to investigate the electron distribution resulting from the several processes that might occur in the atmosphere. It is concluded that the source mechanism is the sublimation of alkali atoms from a permanent dust layer (a dust layer of 0.2 micron particles of density 9/cu cm is sufficient), and that the dominant loss process must involve CO2 clustering to the alkali atoms. Using these processes, an electron layer is developed which would explain the apparent diurnal surface pressure.

Wallio, H. A.↗
NASA NTRS1985

Measurement of shower electrons and muons using a small air shower array

A small air shower array has been used to measure the size spectrum of air showers at sea level in the size range 6.10 to the 3rd power to 10 to the 6th power. The result fitted with the power law gives an index 2.79 + or - 0.11 for the differential spectrum. Lateral distribution of electrons fitted with the well known NKG function results in an age parameter s = 1.35 for core distances less than 30m and s = 0.8 for longer core distances. Lateral distribution of muons follows the general shape of Greisen's relation but is much higher in intensity. Muon and electron densities at the same observation point are also compared.

Chan, S. K.↗
NASA NTRS1989

An investigation of a mathematical model of an optically pumped Ti(3+):Al2O3 laser system

During the last several years, solid state lasers were developed that have the potential for meeting rigorous performance requirements for space-based remote sensing of the atmosphere. In order to design a stable and efficient laser and to understand the effect on laser output of changes in the physical and design parameters, an understanding of the development of the dynamical processes of the laser is necessary. Typically, the dynamical processes in a laser system are investigated via rate equations describing the evolution of the occupancy in the electronic levels and of the photon density in the laser cavity. There are two approaches to this type of study. Most often, for the sake of simplicity, the spatial variations of the dynamic variables in the laser system are disregarded and the mathematical model consists of a system of first order nonlinear ordinary differential equations (ODE). The second approach is to take into account both spatial and temporal variations in the dynamic variables in the laser cavity. The resulting model consists of a first order semilinear system of partial differential equations (PDE). The model which was studied was studied was generic in the sense that it was a four-level laser system, but the parameters used in the numerical study were specific to Titanium-doped sapphire. For simplicity, a constant, spatially uniform pumping scheme was considered. In addition, a simplification of the model was made so that it treats a single lasing wavelength with a narrow bandwidth. The purpose was to investigate both versions of the mathematical model and to determine whether the numerical solutions are similar both qualitatively and quantitatively. The systems of ordinary differential equations were solved numerically using a Runge-Kutta-Fehlberg algorithm which was very efficient for typical values of the physical parameters. A numerical scheme, based on the Modified Euler method, for computing solutions to the system of partial differential equations was developed and implemented. The PDE model was solved numerically at the expense of greatly increased computer time.

Roberts, Lila F.↗
DOE OSTI2024

Simulating topological quantum gates in two-dimensional magnet-superconductor hybrid structures

The creation of topological quantum gates using Majorana zero modes—an outstanding problem in the field of topological quantum computing—relies on our ability to control the braiding process in time and space. Here, we propose two-dimensional magnet-superconductor hybrid structures as a new platformfor the successful implementation of topologically protected √σ z -, σ z - and σ x -quantum gates using Majorana zero modes. Employing a novel theoretical formalism to compute the full timedependent many-body wave-function and utilizing a braiding protocol motivated by recent advances in electron-spin-resonance techniques we simulate quantum gates in 2D systems up to 600 sites, on timescales from a few femto- to nanoseconds. We demonstrate that the braiding process can be visualized in time and space by computing the non-equilibrium local density of states, which is proportional to the time-dependent differential conductance measured in scanning tunneling spectroscopy experiments, allowing us to directly image Majorana world lines.

Superconducting properties and materials↗
NASA NTRS1998

Simulation of Ultra-Small MOSFETs Using a 2-D Quantum-Corrected Drift-Diffusion Model

We describe an electronic transport model and an implementation approach that respond to the challenges of device modeling for gigascale integration. We use the density-gradient (DG) transport model, which adds tunneling and quantum smoothing of carrier density profiles to the drift-diffusion model. We present the current implementation of the DG model in PROPHET, a partial differential equation solver developed by Lucent Technologies. This implementation approach permits rapid development and enhancement of models, as well as run-time modifications and model switching. We show that even in typical bulk transport devices such as P-N diodes and BJTs, DG quantum effects can significantly modify the I-V characteristics. Quantum effects are shown to be even more significant in small, surface transport devices, such as sub-0.1 micron MOSFETs. In thin-oxide MOS capacitors, we find that quantum effects may reduce gate capacitance by 25% or more. The inclusion of quantum effects in simulations dramatically improves the match between C-V simulations and measurements. Significant quantum corrections also occur in the I-V characteristics of short-channel MOSFETs due to the gate capacitance correction.

Biegel, Bryan A.↗
DOE OSTI2022

Electron emission from bromouracil and uracil induced by protons and radiosensitization

Absolute double differential cross sections (DDCS) of electrons emitted from uracil and 5-bromouracil (BrU) in collisions with protons of energy 200 keV have been measured for various forward and backward emission angles over wide range of electron energies. The measured DDCS are compared with the continuum distorted wave-eikonal initial state (CDW-EIS) calculations. The optimized structure of the BrU was estimated along with the population analysis of all the occupied orbitals using a self-consistent field density. A comparison between the measured DDCS data for the two molecules show that the cross section of low energy electrons emitted from BrU is substantially larger than that for uracil. The BrU-to-uracil DDCS ratios obtained from the present measurements indicate an enhancement of the electron emission by a factor which is as large as 2.0 to 2.5. These electrons being the major agent for damaging the DNA/RNA of the malignant tissues, the present results are expected to provide an important input for the radiosensitization effect in hadron therapy. It is noteworthy to mention that the CDW-EIS calculations for Coulomb ionization cannot predict such enhancement. A large angular asymmetry is observed for uracil with a broad structure, which is absent in case of BrU.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1988

Electronic states of semiconductor-metal-semiconductor quantum-well structures

Quantum-size effects are calculated in thin layered semiconductor-metal-semiconductor structures using an ideal free-electron model for the metal layer. The results suggest new quantum-well structures having device applications. Structures with sufficiently high-quality interfaces should exhibit effects such as negative differential resistance due to tunneling between allowed states. Similarly, optical detection by intersubband absorption may be possible. Ultrathin metal layers are predicted to behave as high-density dopant sheets.

Huberman, M. L.↗