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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 73 records · Page 4

Molecular dynamics and quasidynamics simulations of the annealing of bulk and near-surface interstitials formed in molecular-beam epitaxial Si due to low-energy particle bombardment during deposition

The relaxation, diffusion, and annihilation of split and hexagonal interstitials resulting from 10 eV Si irradiation of (2x1)-terminated Si(100) are investigated. Molecular dynamics and quasidynamics simulations, utilizing the Tersoff many-body potential are used in the investigation. The interstitials are created in layers two through six, and stable atomic configurations and total potential energies are derived as a function of site symmetry and layer depth. The interstitial Si atoms are allowed to diffuse, and the total potential energy changes are calculated. Lattice configurations along each path, as well as the starting configurations, are relaxed, and minimum energy diffusion paths are derived. The results show that the minimum energy paths are toward the surface and generally involved tetrahedral sites. The calculated interstitial migration activation energies are always less than 1.4 eV and are much lower in the near-surface region than in the bulk.

Kitabatake, M.↗

Towards the Synthesis and Identification of Tetrahedral N4

Tetrahedral (Td)-N4 has attracted attention as a high energy density material candidate. Although computational studies have shown Td-N4 to be a stable structure on the ground-state potential energy surface, it has yet to be experimentally observed. This study investigates possible synthetic pathways via excited state surfaces. Preliminary results include a comparison of vertical excitation energies from Td-N4 using CIS, CIS(D), CIS(3), LRCCSD, CASSCF, CASPT2, and MRCI ab initio methods. Previous studies have predicted weak IR vibrational intensities. Therefore, alternative detection schemes of Td-N4 are also investigated, such as UV and vibrational Raman spectroscopy.

Dateo, Christopher E.↗

Relativistic particle transport in hot accretion disks

Accretion disks around rapidly rotating black holes provide one of the few plausible models for the production of intense radiation in Acitve Galactic Nuclei (AGNs) above energies of several hundred MeV. The rapid rotation of the hole increases the binding energy per nucleon in the last stable orbit relative to the Schwarzschild case, and naturally leads to ion temperatures in the range 10(exp 12) - 10(exp 13) K for sub-Eddington accretion rates. The protons in the hot inner region of a steady, two-temperature disk form a reservoir of energy that is sufficient to power the observed Energetic Gamma Ray Experiment Telescope (EGRET) outbursts if the black hole mass is 10(exp 10) solar mass. Moreover, the accretion timescale for the inner region is comparable to the observed transient timescale of approximately 1 week. Hence EGRET outbursts may be driven by instabilities in hot, two-temperature disks around supermassive black holes. In this paper we discuss turbulent (stochastic) acceleration in hot disks as a possible source of GeV particles and radiation. We constrain the model by assuming the turbulence is powered by a collective instability that drains energy from the hot protons. We also provide some ideas concerning new, high-energy Penrose processes that produce GeV emission be directly tapping the rotational energy of Kerr black holes.

Becker, Peter A.↗

Delamination growth analysis in quasi-isotropic laminates under loads simulating low-velocity impact

A geometrically nonlinear finite-element analysis has been developed to calculate the strain energy released by delaminating plates during impact loading. Only the first mode of deformation, which is equivalent to static deflection, was treated. Both the impact loading and delamination in the plate were assumed to be axisymmetric. The strain energy release rate in peeling, GI, and shear sliding, GII, modes were calculated using the fracture mechanics crack closure technique. Energy release rates for various delamination sizes and locations and for various plate configurations and materials were compared. The analysis indicated that shear sliding was the primary mode of delamination growth. The analysis also indicated that the midplane (maximum transverse shear stress plane) delamination was more critical and would grow first before any other delamination of the same size near the midplane region. The delamination growth rate was higher (neutrally stable) for a low toughness (brittle) matrix and slower (stable) for high toughness matrix. The energy release rate in the peeling mode, GI, for a near-surface delamination can be as high as 0.5GII, and can contribute significantly to the delamination growth.

Shivakumar, K. N.↗

Delamination growth analysis in quasi-isotropic laminates under loads simulating low-velocity impact

A geometrically nonlinear finite-element analysis was developed to calculate the strain energy released by delamination plates during impact loading. Only the first mode of deformation, which is equivalent to static deflection, was treated. Both the impact loading and delamination in the plate were assumed to be axisymmetric. The strain energy release rate in peeling, G sub I, and shear sliding, G sub II, modes were calculated using the fracture mechanics crack closure technique. Energy release rates for various delamination sizes and locations and for various plate configurations and materials were compared. The analysis indicated that shear sliding (G sub II) was the primary mode of delamination growth. The analysis also indicated that the midplane (maximum transverse shear stress plane) delamination was more critical and would grow before any other delamination of the same size near the midplane region. The delamination growth rate was higher (neutrally stable) for a low toughness (brittle) matrix and slower (stable) for high toughness matrix. The energy release rate in the peeling mode, G sub I, for a near-surface delamination can be as high as 0.5G sub II and can contribute significantly to the delamination growth.

Shivakumar, K. N.↗

Theoretical studies of the HeCN/+/ and NeCN/+/ molecular ions

Self-consistent field calculations are presented for HeCN(+) using several basis sets; calculations for HeH(+) with the same basis sets are given for comparison. These predict that HeCN(+) is stable with a He-CN(+) dissociation energy between 1.5 and 2.0 eV. The binding is found to be mainly electrostatic in nature. Rotation and hyperfine spectral constants are predicted. Similar calculations indicate that the isocyanide HeCN(+) is not stable. Preliminary calculations on NeCN(+) indicate that it is as stable as HeCN(+). The possibility of observing noble gas molecular ions in laboratory experiments and in interstellar space is discussed.

Wilson, S.↗

Neutron stars.

Particular attention is given to the physical concepts underlying neutron stars. The characteristics of an equation of state which is suitable for a neutron star configuration are discussed. Cold neutron star models are examined, including the properties of a particular model in the intermediate range of stable models. Questions regarding the thermal energy of a neutron star are discussed together with aspects of vibrational energy, rotational energy, magnetic energy, and problems in connection with the Vela pulsar.

Cameron, A. G. W.↗

Eddy processes in the general circulation of the Jovian atmospheres

Two fundamentally different views of the general circulation of Jovian atmospheres have emerged. According to one view, the observed jet streams at the cloud tops are controlled by the vorticity transfers of small scale eddies generated by planetary wave instabilities within a shallow atmospheric layer. According to the alternate point of view, the zonal jets are surface manifestations of deep interior convection organized into cylindrical motion with axes parallel to the planetary rotation axis. Both approaches may be considered in the context of the very different roles assumed by the potential vorticity. A possible reconciliation of the two kinds of dynamical systems is considered in which the interior motion is overlaid with a statically stable cappling layer driven by turbulent energy injection from below. A simple model for the eddy driving of quasi-geostrophic dynamics in the capping layer is presented which is consistent with the tentative evidence for up-gradient momentum flux on Jupiter and IRIS observations of thermal contrast correlations with cyclonic and anticyclonic shear zones. Certain synoptic-scale cloud features in Jupiter's atmosphere are interpreted as breaking waves, which may also influence the lateral mixing of tracers such as the ortho-para hydrogen ratio.

Leovy, Conway↗

The terrestrial plasma source - A new perspective in solar-terrestrial processes from Dynamics Explorer

The geospace environment has been viewed as a mixing bowl for plasmas of both solar and terrestrial origin. The present perspective on the nature of the supply mechanisms has undergone a radical evolution over the past decade, particularly during the five years of the Dynamics Explorer mission. During this period, the terrestrial source has increased in importance in both magnitude and character of ionospheric outflow. These outflows include the classical polar wind, the cleft ion fountain, the auroral ion fountain, and the polar cap. The earth can be envisioned as a multifaceted fountain which ejects particles from different spatial locations spread around the globe. These particles exhibit a range of masses from 1 to 32 amu and a range of energies from 1 eV to 10 keV. The total flux of this ionospheric outflow is very large: adequate to supply the entire magnetospheric particle population. And the implications of the outflow are significant across a broad spectrum of solar-terrestrial processes ranging from sources of magnetospheric plasmas, to influences on ionospheric density and temperature structure, to energy transfer in phenomena such as stable auroral red arcs. The Dynamics Explorer mission has made a major contribution in the characterization of the terrestrial plasma source.

Chappell, Charles R.↗

Exploration of planetesimals by a tripartite tethered spacecraft

Asteroids and comets exert such a small gravitational force that it is not practical to survey them from orbit. One must instead continuously accelerate using maneuvering rockets to move around the surface. A space exploration craft in three parts connected by lightweight cables can survey asteroids and comets, and deploy landers, without requiring the large thrusters and the continuous depletion of fuel required by a single craft. The spacecraft is deployed by spinning up from a compact configuration using low thrust jets, and then maintain surveying orbit without any major expenditure of energy. The triangular tether arrangement is stable, but care must be taken in changing orbits and with deploying and recovering samples, as can be demonstrated with a simple simulation. Even 100 km long tethers occupy a low payload fraction.

Stephens, Richard B.↗

Stratified turbulence in the atmosphere and oceans - A new subgrid model

Turbulence in stably and unstably stratified media is studied, and the results are used to construct a subgrid simulation (SGS) model for use in large eddy simulation (LES). It was found that, although the assumption of inertiality of the subgrid scales is reasonable for the case of unstable stratification, it ceases to be so in the case of stable stratification, where gravity removes kinetic energy from the eddies: the generation of gravity waves becomes the dominant physical process, with dissipation relegated to higher wavenumbers. Preliminary results show that the total kinetic energy dissipation length scale increases with stability, in accordance with LES results but in disagreement with Deardorff's model that suggests a decrease of all dissipation scales in presence of stratification.

Canuto, V. M.↗

Decay of equatorial ring current ions and associated aeronomical consequences

The decay of the major ion species which constitute the ring current is studied by solving the time evolution of their distribution functions during the recovery phase of a moderate geomagnetic storm. In this work, only equatorially mirroring particles are considered. Particles are assumed to move subject to E x B and gradient drifts. They also experience loses along their drift paths. Two loss mechanisms are considered: charge exchange with neutral hydrogen atoms and Coulomb collisions with thermal plasma in the plasmasphere. Thermal plasma densities are calculated with a plasmaspheric model employing a time-dependent convection electric field model. The drift-loss model successfully reproduces a number of important and observable features in the distribution function. Charge exchange is found to be the major loss mechanism for the ring current ions; however the important effects of Coulomb collisions on both the ring current and thermal populations are also presented. The model predicts the formation of a low-energy (less than 500 eV) ion population as a result of energy degradation caused by Coulomb collision of the ring current ions with the plasmaspheric electrons; this population may be one source of the low-energy ions observed during active and quiet periods in the inner magnetosphere. The energy transferred to plasmaspheric electrons through Coulomb collisions with ring current ions is believed to be the energy source for the electron temperature enhancement and the associated 6300 A (stable auroral red (SAR) arc) emission in the subauroral region. The calculated energy deposition rate is sufficient to produce a subauroral electron temperature enhancement and SAR arc emissions that are consistent with observations of these quantities during moderate magnetic activity levels.

Fok, M.-C.↗

Water Purification Systems

A water purification/recycling system developed by Photo-Catalytics, Inc. (PCI) for NASA is commercially available. The system cleanses and recycles water, using a "photo-catalysis" process in which light or radiant energy sparks a chemical reaction. Chemically stable semiconductor powders are added to organically polluted water. The powder absorbs ultraviolet light, and pollutants are oxidized and converted to carbon dioxide. Potential markets for the system include research and pharmaceutical manufacturing applications, as well as microchip manufacture and wastewater cleansing.

Source record↗

Electrochemical Hydrogen Peroxide Generator

Two-electron reduction of oxygen to produce hydrogen peroxide is a much researched topic. Most of the work has been done in the production of hydrogen peroxide in basic media, in order to address the needs of the pulp and paper industry. However, peroxides under alkaline conditions show poor stabilities and are not useful in disinfection applications. There is a need to design electrocatalysts that are stable and provide good current and energy efficiencies to produce hydrogen peroxide under acidic conditions. The innovation focuses on the in situ generation of hydrogen peroxide using an electrochemical cell having a gas diffusion electrode as the cathode (electrode connected to the negative pole of the power supply) and a platinized titanium anode. The cathode and anode compartments are separated by a readily available cation-exchange membrane (Nafion 117). The anode compartment is fed with deionized water. Generation of oxygen is the anode reaction. Protons from the anode compartment are transferred across the cation-exchange membrane to the cathode compartment by electrostatic attraction towards the negatively charged electrode. The cathode compartment is fed with oxygen. Here, hydrogen peroxide is generated by the reduction of oxygen. Water may also be generated in the cathode. A small amount of water is also transported across the membrane along with hydrated protons transported across the membrane. Generally, each proton is hydrated with 3-5 molecules. The process is unique because hydrogen peroxide is formed as a high-purity aqueous solution. Since there are no hazardous chemicals or liquids used in the process, the disinfection product can be applied directly to water, before entering a water filtration unit to disinfect the incoming water and to prevent the build up of heterotrophic bacteria, for example, in carbon based filters. The competitive advantages of this process are: 1. No consumable chemicals are needed in the process. The only raw materials needed are water and oxygen or air. 2. The product is pure and can therefore be used in disinfection applications directly or after proper dilution with water. 3. Oxygen generated in the anode compartment is used in the electrochemical reduction process; in addition, external oxygen is used to establish a high flow rate in the cathode compartment to remove the desired product efficiently. Exiting oxygen can be recycled after separation of liquid hydrogen peroxide product, if so desired. 4. The process can be designed for peroxide generation under microgravity conditions. 5. High concentrations of the order of 6-7 wt% can be generated by this method. This method at the time of this reporting is superior to what other researchers have reported. 6. The cell design allows for stacking of cells to increase the hydrogen peroxide production. 7. The catalyst mix containing a diquaternary ammonium compound enabled not only higher concentration of hydrogen peroxide but also higher current efficiency, improved energy efficiency, and catalyst stability. 8. The activity of the catalyst is maintained even after repeated periods of system shutdown. 9. The catalyst system can be extended for fuel-cell cathodes with suitable modifications.

Tennakoon, Charles L. K.↗

Novel Electrolytes for Use in Li-Air Batteries for NASA Electric Aircraft

Li-Air batteries are a unique fit for electric aircraft due to their high theoretical energy densities and their potential to leverage on-board oxygen systems. The electrolyte and cathode are the limiting factors for advancing this technology. We are investigating novel "electrolyte and cathode engineering" concepts to enable Li-Air batteries with high practical energy densities, rechargeability and safety. New stable electrolytes and cathodes are being designed and fabricated for Li-Air batteries. An array of various electrolytes were screened and analyzed using NMR and DEMS analysis techniques to understand the fundamental decomposition mechanisms at the cathode surface and within the porous polymer separator. (NMR) spectroscopy has yielded mechanistic insight into decomposition pathway, which is vital to the development of future stable electrolyte candidates. Thus far, five new electrolytes have been screened with 2 showing promising results.

Li-Air↗

LiON: Lithium Oxygen Batteries for NASA Electric Aircraft

Li-Air batteries are a unique fit for electric aircraft due to their high theoretical energy densities and their potential to leverage on-board oxygen systems. Electrolytes are the limiting factor for advancing this technology. We will investigate novel "electrolyte engineering" concepts to enable Li-Air batteries with high practical energy densities, rechargeability and safety. New stable electrolytes will be designed and fabricated for Li-Air batteries and tested in an electric flight. An unprecedented "Dream Team" of experts from NASA, DOE, academia and industry will tackle this problem.

Lawson, John↗

Toward Consistent Long-term Records of Cloud Fraction from MODIS and VIIRS for CERES

In order to produce a long-term and stable climate record of Earth’s energy budget for NASA’s Clouds and Earth’s Radiant Energy System (CERES) project, a consistent cloud fraction record across different measurement platforms­­ is a crucial first step. As Aqua satellite is approaching the end of its operational lifetime, NOAA-20 VIIRS observations on the JPSS-2 spacecraft will be used for cloud detection to continue the long-term Earth energy budget record. Two steps are designed to achieve this goal. The first step is a quick approach that revises the CERES NOAA-20 VIIRS Edition 1 A (CV Ed1A) cloud mask to incorporate Cross-track Infrared Sounder (CrIS) water vapor and CO_2 channels into the VIIRS cloud mask (CV Ed1B) to produce a consistent cloud fraction with CERES MODIS Edition 4 (CM Ed4) to avoid potential discontinuity when Aqua orbit drifts beyond tolerance before the next Edition is completed. The second step is to develop, as part of CERES next edition (Ed5), a unified MODIS and VIIRS cloud mask using common channels to produce consistent cloud products with improved radiative transfer models, refined clear sky predictions, new GMAO reanalysis products, and the latest radiance collections of MODIS and VIIRS data. This poster will present cloud fraction comparison between CV Ed1B and CM Ed4, as well as the preliminary results of ongoing Ed5 including pixel level cloud mask results, monthly global cloud fraction differences between MODIS and VIIRS (consistency), and initial validation using CALIPSO data (accuracy).

CERES↗

Nylon-11 Nanowires Embedded in Flexible Substrates for Piezoelectric Transducers

Nylon-11 nanowires have been fabricated in flexible track-etched polymer templates. Customized fabrication equipment was employed to realize an air-flow and gravity assisted template-wetting synthesis technique. X-ray diffraction analysis suggests that the strength of the piezoelectric phase of the nanowire crystals is directly proportional to the air-flow.

piezoelectric↗