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At least 289 records · Page 16

Calculating the X-Ray Fluorescence from the Planet Mercury Due to High-Energy Electrons

The least-studied terrestrial planet is Mercury due to its proximity to the Sun, which makes telescopic observations and spacecraft encounters difficult. Our lack of knowledge about Mercury should change in the near future due to the recent launching of MESSENGER, a Mercury orbiter. Another mission (BepiColombo) is currently being planned. The x-ray spectrometer on MESSENGER (and planned for BepiColombo) can characterize the elemental composition of a planetary surface by measuring emitted fluorescent x-rays. If electrons are ejected from an atom s inner shell by interaction with energetic particles such as photons, electrons, or ions, electrons from an outer shell can transfer to the inner shell. Characteristic x-rays are then emitted with energies that are the difference between the binding energy of the ion in its excited state and that of the ion in its ground state. Because each element has a unique set of energy levels, each element emits x-rays at a unique set of energies. Electrons and ions usually do not have the needed flux at high energies to cause significant x-ray fluorescence on most planetary bodies. This is not the case for Mercury where high-energy particles were detected during the Mariner 10 flybys. Mercury has an intrinsic magnetic field that deflects the solar wind, resulting in a bow shock in the solar wind and a magnetospheric cavity. Electrons and ions accelerated in the magnetosphere tend to follow its magnetic field lines and can impact the surface on Mercury s dark side Modeling has been done to determine if x-ray fluorescence resulting from the impact of high-energy electrons accelerated in Mercury's magnetosphere can be detected by MESSENGER. Our goal is to understand how much bulk chemical information can be obtained from x-ray fluorescence measurements on the dark side of Mercury.

Burbine, T. H.↗

Exergy Based Analysis for the Environmental Control and Life Support Systems of the International Space Station

When optimizing the performance of complex systems, a logical area for concern is improving the efficiency of useful energy. The energy available for a system to perform work is defined as a system's energy content. Interactions between a system's subsystems and the surrounding environment can be accounted for by understanding various subsystem energy efficiencies. Energy balance of reactants and products, and enthalpies and entropies, can be used to represent a chemical process. Heat transfer energy represents heat loads, and flow energy represents system flows and filters. These elements allow for a system level energy balance. The energy balance equations are developed for the subsystems of the Environmental Control and Life Support (ECLS) system aboard the International Space Station (ISS). The use of these equations with system information would allow for the calculation of the energy efficiency of the system, enabling comparisons of the ISS ECLS system to other systems as well as allows for an integrated systems analysis for system optimization.

Clem, Kirk A.↗

Argon hydrochloride, Ar.HCl, bond energy by infrared spectroscopy

The infrared absorption of argon (200 to 760 torr) and hydrogen chloride (2 to 6 torr) mixtures is reexamined in the missing Q branch region (spectral region between 2860 and 3010 wavelength/cm) at temperatures ranging from 195 to 298 K. The temperature dependence of two absorption features of the argon hydrogen chloride complex, at 2887 and 2879 wavelength/cm, leads to a bond energy estimate that depends on the assumptions made about the internal degrees of freedom of the complex. It is shown that agreement with experiment can be reached for well depths near 1.2 kcal/mole. This result is relatively insensitive to the choice of the vibrational frequencies and anharmonicities, but does depend on the extent to which the energy level manifolds are truncated to avoid molecular excitation in excess of the bond energy. The bond energy is found to deviate from the commonly accepted value of 0.4 kcal/mole. Possible causes for the discrepancy are considered.

Miziolek, A. W.↗

Ab Initio Vibrational Levels For HO2 and Vibrational Splittings for Hydrogen Atom Transfer

We calculate vibrational levels and wave functions for HO2 using the recently reported ab initio potential energy surface of Walch and Duchovic. There is intramolecular hydrogen atom transfer when the hydrogen atom tunnels through a T-shaped saddle point separating two equivalent equilibrium geometries, and correspondingly, the energy levels are split. We focus on vibrational levels and wave functions with significant splitting. The first three vibrational levels with splitting greater than 2/cm are (15 0), (0 7 1) and (0 8 0) where V(sub 2) is the O-O-H bend quantum number. We discuss the dynamics of hydrogen atom transfer; in particular, the O-O distances at which hydrogen atom transfer is most probable for these vibrational levels. The material of the proposed presentation was reviewed and the technical content will not reveal any information not already in the public domain and will not give any foreign industry or government a competitive advantage.

Barclay, V. J.↗

Energy and cost saving results for advanced technology systems from the Cogeneration Technology Alternatives Study (CTAS)

An overview of the organization and methodology of the Cogeneration Technology Alternatives Study is presented. The objectives of the study were to identify the most attractive advanced energy conversion systems for industrial cogeneration applications in the future and to assess the advantages of advanced technology systems compared to those systems commercially available today. Advanced systems studied include steam turbines, open and closed cycle gas turbines, combined cycles, diesel engines, Stirling engines, phosphoric acid and molten carbonate fuel cells and thermionics. Steam turbines, open cycle gas turbines, combined cycles, and diesel engines were also analyzed in versions typical of today's commercially available technology to provide a base against which to measure the advanced systems. Cogeneration applications in the major energy consuming manufacturing industries were considered. Results of the study in terms of plant level energy savings, annual energy cost savings and economic attractiveness are presented for the various energy conversion systems considered.

Sagerman, G. D.↗

Electronic characterization of defects in narrow gap semiconductors

The study of point defects in semiconductors has a long and honorable history. In particular, the detailed understanding of shallow defects in common semiconductors traces back to the classic work of Kohn and Luttinger. However, the study of defects in narrow gap semiconductors represents a much less clear story. Here, both shallow defects (caused by long range potentials) and deep defects (from short range potentials) are far from being completely understood. In this study, all results are calculational and our focus is on the chemical trend of deep levels in narrow gap semiconductors. We study substitutional (including antisite), interstitial and ideal vacancy defects. For substitutional and interstitial impurities, the efects of relaxation are included. For materials like Hg(1-x)Cd(x)Te, we study how the deep levels vary with x, of particular interest is what substitutional and interstitial atoms yield energy levels in the gap i.e. actually produce deep ionized levels. Also, since the main technique utilized is Green's functions, we include some summary of that method.

Patterson, James D.↗

Geoscience Laser Altimeter System (GLAS) on the ICESat Mission: Initial Science Measurement Performance

The Geoscience Laser Altimeter System is the space lidar on the NASA ICESat mission. Its design combines an altimeter with 5 cm precision with a laser pointing angle determination system and a dual wavelength cloud and aerosol lidar. GLAS measures the range to the Earth s surface with 1064 nm laser pulses. Each laser pulse produces a precision pointing measurement from the stellar reference system (SRS) and an echo pulse waveform, which permits range determination and waveform spreading analysis. The single shot ranging accuracy is < 10 cm for ice surfaces with slopes < 2 degrees. GLAS also measures atmospheric backscatter profiles at both 1064 and 532 nm. The 1064 nm measurements use an analog Si APD detector and measure the height and profile the backscatter signal from thicker clouds. The measurements at 532 nm use photon counting detectors, and will measure the vertical height distributions of optically thin clouds and aerosol layers Before launch, the measurement performance of GLAS was evaluated using a lidar test instrument called the Bench Check Equipment (BCE). The BCE was developed in parallel with GLAS and served as an inverse altimeter, inverse lidar and a stellar source simulator. It was used to simulate the range of expected optical inputs to the GLAS receiver by illuminating its telescope with simulated background light as well as laser echoes with known powers, energy levels, widths and delay times. The BCE also allowed monitoring of the transmitted laser energy, the angle measurements of the SRS, the co-alignment of the transmitted laser beam to the receiver line of sight, and performance of the flight science algorithms. Performance was evaluated during the GLAS development, before and after environmental tests, and after delivery to the spacecraft. The ICESat observatory was launched into a 94 degree inclination, 590 km altitude circular polar orbit on January 12,2003. Beginning in early February, GLAS was powered on tested in stages. Its 1064 nm optical receiver was evaluated in a several tests using both solar background light and an internal test source. Laser 1 was activated on February 20,2003. GLAS operated with Laser 1 for 38 continuous days on orbit using its 1064 nm receiver channel, producing over 130 million individual laser measurements of the Earth s surface and atmosphere. These nadir-pointed measurements fell along the ICESat s ground track, and spanned more than 4 cycles of the initial 8-day ICESat repeat orbit. The initial GLAS measurement set shows strong echo pulses from ranging to the surface topography, oceans, ice sheets and cloud tops, as well as profiles of clouds and aerosols. The GLAS measurements have unprecedented vertical and angular resolution, and show nearly continuous height profiles of ice, land and ocean surfaces or cloud tops, as well profiles of backscatter from thin clouds and aerosol layers. Examples of these GLAS measurements and an initial assessment of its science measurement performance will be presented.

Abshire, James B.↗

Deposition of diamondlike carbon films

A diamondlike carbon film is deposited in the surface of a substrate by exposing the surface to an argon ion beam containing a hydrocarbon. The current density in the ion beam is low during initial deposition of the film. Subsequent to this initial low current condition, the ion beam is increased to full power. At the same time, a second argon ion beam is directed toward the surface of the substrate. The second ion beam has an energy level much greater than that of the ion beam containing the hydrocarbon. This addition of energy to the system increases mobility of the condensing atoms and serves to remove lesser bound atoms.

Mirtich, M. J.↗

Cross-sectional examination of the damage zone in impacted specimens of carbon/epoxy and carbon/PEEK composites

Drop weight impact testing was utilized to inflict damage on eight-ply bidirectional and unidirectional samples of carbon/epoxy and carbon/PEEK (polyetheretherketone) test specimens with impact energies ranging from 0.80 J to 1.76 J. The impacting tip was of a smaller diameter (4.2-mm) than those used in most previous studies, and the specimens were placed with a diamond wheel wafering saw through the impacted area perpendicular to the outer fibers. Photographs at 12 x magnification were taken of these cross-sections and examined. The results on the bidirectional samples show little damage until 1.13 J, at which point delaminations were seen in the epoxy specimens. The PEEK specimens showed less delamination than the epoxy specimens for a given impact energy level. The unidirectional specimens displayed more damage than the bidirectional samples for a given impact energy, with the PEEK specimens showing much less damage than the epoxy material.

Nettles, A. T.↗

Theoretical determination of chemical rate constants using novel time-dependent methods

The work completed within the grant period 10/1/91 through 12/31/93 falls primarily in the area of reaction dynamics using both quantum and classical mechanical methodologies. Essentially four projects have been completed and have been or are in preparation of being published. The majority of time was spent in the determination of reaction rate coefficients in the area of hydrocarbon fuel combustion reactions which are relevant to NASA's High Speed Research Program (HSRP). These reaction coefficients are important in the design of novel jet engines with low NOx emissions, which through a series of catalytic reactions contribute to the deterioration of the earth's ozone layer. A second area of research studied concerned the control of chemical reactivity using ultrashort (femtosecond) laser pulses. Recent advances in pulsed-laser technologies have opened up a vast new field to be investigated both experimentally and theoretically. The photodissociation of molecules adsorbed on surfaces using novel time-independent quantum mechanical methods was a third project. And finally, using state-of-the-art, high level ab initio electronic structure methods in conjunction with accurate quantum dynamical methods, the rovibrational energy levels of a triatomic molecule with two nonhydrogen atoms (HCN) were calculated to unprecedented levels of agreement between theory and experiment.

Dateo, Christopher E.↗

Fourfold Clusters of Rovibrational Energies in H2Te Studied With an Ab Initio Potential Energy Function

We report an ab initio investigation of the cluster effect (i.e., the formation of nearly degenerate, four member groups of rotation-vibration energy levels at higher J and K(sub a). values) in the H2Te molecule. The potential energy function has been calculated ab initio at a total of 334 molecular geometries by means of the CCSD(T) method where the (1s-4f) core electrons of Te were described by an effective core potential. The values of the potential energy function obtained cover the region up to around 10,000/cm above the equilibrium energy. On the basis of the ab initio potential, the rotation-vibration energy spectra of H2Te-130 and its deuterated isotopomers have been calculated with the MORBID (Morse Oscillator Rigid Bender Internal Dynamics) Hamiltonian and computer program. In particular, we have calculated the rotational energy manifolds for J less than or = 40 in the vibrational ground state, the upsilon(sub 2) state, the "first triad" (the upsilon(sub l)/upsilon(sub 3)/2upsilon(sub 2) interacting vibrational states), and the "second triad" (the upsilon(sub 1) + upsilon(sub 2/upsilon(sub 2) + upsilon(sub 3)/3upsilon(sub 2) states) of H2Te-130. We find that the cluster formation in H2Te is very similar to those of of H2Se and H2S, which we have studied previously. However, contrary to semiclassical predictions, we do not determine any significant displacement of the clusters towards lower J values relative to H2Se. Hence the experimental observation of the cluster states in H2Te will be at least as difficult as in H2Se.

Jensen, Per↗

Deep Throttle Turbopump Technology Design Concepts

The objective of this project is to increase the throttling range of turbopumps from 30 to 120% of the design value, while maintaining high performance levels. Details are given on wide flow range issues, H-Q characteristics, stall characteristics, energy levels, pressure fluctuations at impeller exit, WFR impeller characteristics, commercial diffuser pumps, slotted or tandem vanes, leading edge characteristics, leading edge models, throat models, diffusion passage models, computational fluid dynamics (CFD) methodologies, and CFD flow cases.

Guinzburg, Adiel↗

TLS characterization using multilevel decay of a fixed-frequency transmon

Transmon qubits are a cornerstone of superconducting quantum computing platforms, yet their coherence times often exhibit temporal fluctuations that degrade processor performance. These variations are commonly attributed to shifts in the resonance frequencies of individual two-level systems (TLSs) near the qubit transition. In this study, we monitor the lifetimes of multiple energy levels of a fixed-frequency transmon and examine their temporal correlations. Our measurements reveal that one or more TLSs—detuned by more than 100 MHz from the qubit transition—can still significantly influence coherence. The proposed method provides a powerful tool for TLS spectroscopy without the need to tune the transmon frequency, either via a flux-tunable inductor or AC-Stark shifts.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗

TLS characterization using multilevel decay of a fixed-frequency transmon

Transmon qubits are a cornerstone of superconducting quantum computing platforms, yet their coherence times often exhibit temporal fluctuations that degrade processor performance. These variations are commonly attributed to shifts in the resonance frequencies of individual two-level systems (TLSs) near the qubit transition. In this study, we monitor the lifetimes of multiple energy levels of a fixed-frequency transmon and examine their temporal correlations. Our measurements reveal that one or more TLSs—detuned by more than 100 MHz from the qubit transition—can still significantly influence coherence. The proposed method provides a powerful tool for TLS spectroscopy without the need to tune the transmon frequency, either via a flux-tunable inductor or AC-Stark shifts.

Roy, Tanay [Fermilab] (ORCID:000000019442862X)↗

Nonequilibrium radiative heating of a Jovian entry body

The influence of nonlocal thermodynamic equilibrium (NLTE) radiative transfer on radiative and convective heating of a Jovian entry body is investigated. The flow in the shock layer is assumed to be axisymmetric, viscous, and in chemical equilibrium. The chemical species considered for the collisional deactivation processes are H2, H, H+. The NLTE radiative transfer equations are derived for multilevel energy transitions. The rotational and vibrational energy modes are assumed to be in local thermodynamic equilibrium. The results indicate that higher-level energy transitions have little influence on the overall NLTE results. The NLTE results, however, are found to be greatly influenced by the temperature distributions in the shock layer. The convective and radiative heating to the entry body are reduced significantly because of the NLTE conditions; the reduction in convective heating, however, is relatively small. The influence of NLTE is found to be greater at higher entry altitudes.

Tiwari, S. N.↗

The microwave and far-infrared spectra of the O-(18)H radical

Far-infrared laser magnetic resonance (LMR) spectroscopy was used to calculate the frequencies, wavelengths, and line strengths for transitions of O-(18)H molecules at microwave and far-infrared frequencies. In this experiment, a molecular transition frequency is tuned into coincidence with that of a fixed frequency laser by the application of a variable magnetic field. The O-(18)H radicals, detected in natural abundance (0.20 percent), were produced by the reaction of hydrogen atoms with nitrogen dioxide. These data together with microwave frequencies ascertained by Gottlieb, Redford, and Smith (1974) were used to determine the parameters of an effective Hamiltonian. Rotational levels up to J = 5.5 were involved. Results are indicated schematically and the low-lying energy levels of O-(18)H are shown. It is concluded that the frequencies of transitions between levels studied directly in the LMR experiment are reliable.

Comben, E. R.↗

A Tool to Incorporate Non-Energy Impacts in Energy Efficiency Investment Decision Making for Firms

Energy efficiency is a key demand-side strategy for sustainability, recently identified by the United States Department of Energy as a pillar of industrial decarbonization. The increased focus on decarbonization and the requirement for efficiency to enable electrification, another decarbonization pillar, due to the spark spread between natural gas and electricity prices, make energy efficiency increasingly relevant. Still, industries face challenges in adopting energy efficiency measures. Researchers have long found a gap in adoption of even those measures with a profitable net present value, attributed to lack of strategic value among other barriers (see for rigorous exploration and taxonomy). One solution to facilitate energy efficiency projects is the inclusion of non-energy impacts, as this has been shown to double potential deployment of such projects at system level. Energy efficiency can provide valuable benefits outside of simple operating cost reductions, from decreased pollution to enhanced productivity. The inclusion of these benefits in decision making assessments faces hurdles due to inconsistency of ancillary benefits across projects, difficulties in quantifying impacts and the need for additional measurement to quantify them. The decision-making tools to support this have been designed primarily for the European context. We begin with a stakeholder engagement process to better characterize the U.S. decision making process surrounding adoption of energy efficiency investments. Characterization of non-energy impacts has developed substantially over recent decades. Cagno et al. provided a framework for studying the applicability of these impacts to energy efficiency projects, listing 120 key performance indicators focused mainly on reductions of costs/harms. Other researchers have included impacts on the strategic and revenue side that can be merged into this framework as well. We seek a tractable set of impacts that can be included in a decision-making tool in the US, and as such are well suited to US industry, management and decision making processes. We also seek to understand how to best quantify or characterize these impacts. This work will demonstrate the results of a survey conducted among US manufacturing industry decision makers to assess the decision making landscape of stakeholders as well as the most relevant performance indicators for energy efficiency projects.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION,↗

Designing electrolytes with high solubility of sulfides/disulfides for high-energy-density and low-cost K-Na/S batteries

Alkaline metal sulfur (AMS) batteries offer a promising solution for grid-level energy storage due to their low cost and long cycle life. However, the formation of solid compounds such as M 2 S 2 and M 2 S (M = Na, K) during cycling limits their performance. Here we unveil intermediate-temperature K-Na/S batteries utilizing advanced electrolytes that dissolve all polysulfides and sulfides (K 2 S x , x = 1–8), significantly enhancing reaction kinetics, specific capacity, and energy density. These batteries achieve near-theoretical capacity (1655 mAh g -1 sulfur) at 75 °C with a 1 M sulfur concentration. At a 4 M sulfur concentration, they deliver 830 mAh g -1 at 2 mA cm -2 , retaining 71% capacity after 1000 cycles. This new K-Na/S battery with specific energy of 150-250 Wh kg -1 only employs earth-abundant elements, making it attractive for long-duration energy storage.

36 MATERIALS SCIENCE↗