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At least 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Radio science investigations of the Saturn system with Voyager 1 - Preliminary results

Analyses of Voyager 1 radio occultation measurements of the Saturn atmosphere near 75 deg south latitude and of the Titan equatorial atmosphere are presented. Molecular nitrogen appears to be the primary atmospheric constituent of Titan, whose clouds are probably methane ice. Solar abundance considerations of the data suggest large quantities of surface methane near its triple-point temperature, so that the three phases of methane could play a role on Titan analogous to that of water on earth. Ionospheric electron concentration and plasma scale height for the Saturn polar cap and monochromatic attenuation of the Saturn rings are also considered, along with radio tracking figures for the masses of two moons, Rhea and Titan.

Tyler, G. L.↗
NASA NTRS1985

Identification and properties of molecular systems of potential use in solar-pumped lasers

The concepts and computational tools of theortical chemistry are used to investigate molecular properties needed in direct solar-pumped lasers. Compounds of the type RR'CXY, with R and R' organic groups, and X and Y halide atoms were identified as likely candidates because of their highly enhanced absorption coefficients over compounds with a single halide atom. The use of a combination of vibrational excitation followed by electronic excitation to enhance quantum yields at certain wavelengths is indicated. A self-consistent eikonal approximation to state-to-state transitions was tested for CH3I and is useful for other problems involving electronic energy and charge transfer. An approach to calculate potential energy surfaces and transition dipoles was developed which is based on the generation of eigenstates of the nonrelativisitc Hamiltonian followed by incorporation of the spin-orbit coupling by configuration interaction.

Micha, D. A.↗
NASA NTRS1985

Effects of high energy radiation on the mechanical properties of epoxy-graphite fiber reinforced composites

In an effort to elucidate the changes in molecular structural and mechanical properties of epoxy/graphite fiber composites upon exposure to ionizing radiation in a simulated space environment, spectroscopic and surface properties of tetraglycidyl-4,4'-diamino diphenyl methane (TGDDM) red with diamino diphenyl sulfone (DDS) and T-300 graphite fiber were investigated following exposure to ionizing radiation. Cobalt-60 gamma radiation and 1/2 MeV electrons were used as radiation sources. The system was studied using electron spin resonance (ESR) spectroscopy, infrared absorption spectroscopy, contact angle measurements, and electron spectroscopy for chemical analysis.

Fornes, R. E.↗
NASA NTRS2011

Radiation Shielding of Lunar Regolith/Polyethylene Composites and Lunar Regolith/Water Mixtures

Space radiation is a complex mixed field of ionizing radiation that can pose hazardous risks to sophisticated electronics and humans. Mission planning for lunar exploration and long duration habitat construction will face tremendous challenges of shielding against various types of space radiation in an attempt to minimize the detrimental effects it may have on materials, electronics, and humans. In late 2009, the Lunar Crater Observation and Sensing Satellite (LCROSS) discovered that water content in lunar regolith found in certain areas on the moon can be up to 5.6 +/-2.8 weight percent (wt%) [A. Colaprete, et. al., Science, Vol. 330, 463 (2010). ]. In this work, shielding studies were performed utilizing ultra high molecular weight polyethylene (UHMWPE) and aluminum, both being standard space shielding materials, simulated lunar regolith/ polyethylene composites, and simulated lunar regolith mixed with UHMWPE particles and water. Based on the LCROSS findings, radiation shielding experiments were conducted to test for shielding efficiency of regolith/UHMWPE/water mixtures with various percentages of water to compare relative shielding characteristics of these materials. One set of radiation studies were performed using the proton synchrotron at the Loma Linda Medical University where high energy protons similar to those found on the surface of the moon can be generated. A similar experimental protocol was also used at a high energy spalation neutron source at Los Alamos Neutron Science Center (LANSCE). These experiments studied the shielding efficiency against secondary neutrons, another major component of space radiation field. In both the proton and neutron studies, shielding efficiency was determined by utilizing a tissue equivalent proportional counter (TEPC) behind various thicknesses of shielding composite panels or mixture materials. Preliminary results from these studies indicated that adding 2 wt% water to regolith particles could increase shielding of the regolith materials by about 6%. The findings may be utilized to extend the possibilities of potential candidate materials for lunar habitat structures, will potentially impact the design criteria of future human bases on the moon, and provide some guidelines for future space mission planning with respect to radiation exposure and risks posed on astronauts.

Johnson, Quincy F.↗
NASA NTRS2011

Genomics-Based Security Protocols: From Plaintext to Cipherprotein

The evolving nature of the internet will require continual advances in authentication and confidentiality protocols. Nature provides some clues as to how this can be accomplished in a distributed manner through molecular biology. Cryptography and molecular biology share certain aspects and operations that allow for a set of unified principles to be applied to problems in either venue. A concept for developing security protocols that can be instantiated at the genomics level is presented. A DNA (Deoxyribonucleic acid) inspired hash code system is presented that utilizes concepts from molecular biology. It is a keyed-Hash Message Authentication Code (HMAC) capable of being used in secure mobile Ad hoc networks. It is targeted for applications without an available public key infrastructure. Mechanics of creating the HMAC are presented as well as a prototype HMAC protocol architecture. Security concepts related to the implementation differences between electronic domain security and genomics domain security are discussed.

Shaw, Harry↗
NASA NTRS1982

Quantum chemical calculation of the equilibrium structures of small metal atom clusters

Metal atom clusters are studied based on the application of ab initio quantum mechanical approaches. Because these large 'molecular' systems pose special practical computational problems in the application of the quantum mechanical methods, there is a special need to find simplifying techniques that do not compromise the reliability of the calculations. Research is therefore directed towards various aspects of the implementation of the effective core potential technique for the removal of the metal atom core electrons from the calculations.

Kahn, L. R.↗
NASA NTRS1987

Excitation of the OI (3s 5S0-3p 5P; lambda 7774 A) multiplet by electron impact on O2

Electron impact on O2 has been employed to ascertain the absolute cross-section value and emission linewidths of the OI (3s 5S0-3p 5P; 7774 A) multiplet. The emission linewidths are highly Doppler-broadened in dissociative excitation, and display two distinct kinetic energy distributions: which indicate that both purely repulsive and discrete, bound, excited molecular states, which then predissociate, are involved in the dissociation process that leads to the excitation of OI 7774 A. The magnitude of the measured cross-section and the fragment kinetic energy distribution both indicate that the previous time-of-flight studies of the metastable OI (5S0) state require reinterpretation.

Erdman, P. W.↗
NASA NTRS1992

The equilibrium of atmospheric sodium

We now have four examples of planetary objects with detectable sodium (and potassium) in their atmospheres: Earth, Io, Mercury and the moon. After a summary of the observational data, this survey discusses proposed sources and sinks. It appears that Io's surface material is rich in frozen SO2, but with around 1 percent of some sodium compound. The Io plasma torus contains ions of S, O and Na, also with at least one molecular ion containing Na. In turn, impact by these ions probably sustains the torus, as well as an extended neutral corona. A primary source for the Earth, Mercury and the moon is meteoroidal bombardment; at Mercury and perhaps the moon it may be supplemented by degassing of atoms from the regolith. Photoionization is important everywhere, although hot electrons are dominant at Io.

Hunten, Donald M.↗
NASA NTRS2013

On the Ubiquity of Molecular Anions in the Dense Interstellar Medium

Results are presented from a survey for molecular anions in seven nearby Galactic star-forming cores and molecular clouds. The hydrocarbon anion C6H(−) is detected in all seven target sources, including four sources where no anions have been previously detected: L1172, L1389, L1495B, and TMC-1C. The C6H(−) /C6H column density ratio is approx. > 1.0% in every source, with a mean value of 3.0% (and standard deviation 0.92%). Combined with previous detections, our results show that anions are ubiquitous in dense clouds wherever C6H is present. The C6H(−)/C6H ratio is found to show a positive correlation with molecular hydrogen number density, and with the apparent age of the cloud.We also report the first detection of C4H(−) in TMC-1 (at 4.8 sigma confidence), and derive an anion-to-neutral ratio C4H(−) /C4H = (1.2 +/- 0.4)×10(exp −5)(= 0.0012% +/- 0.0004%). Such a low value compared with C6H(−) highlights the need for a revised radiative electron attachment rate for C4H. Chemical model calculations show that the observed C4H(−) could be produced as a result of reactions of oxygen atoms with C5H(−) and C6H(−).

ISM↗
NASA NTRS1980

Crosslinking of aromatic polyamides via pendant propargyl groups

Methods for crosslinking N-methyl substituted aromatic polyamides were investigated in an effort to improve the applicability of these polymers as matrix resins for Kavlar trademark fiber composites. High molecular weight polymers were prepared from isophthaloyl dichloride and 4,4'- bis(methylamino)diphenylmethane with varying proportions of the N,N'bispropargyl diamine incorporated as a crosslinking agent. The propargylcontaining diamines were crosslinked thermally and characterized by infrared spectroscopy, differential scanning calorimetry, and thermogravimetric analysis. Attempts were also made to crosslink polyamide films by exposure to ultraviolet light, electron beam, and gamma radiation.

St.clair, A. K.↗
NASA NTRS1983

UV radiation field inside dense clouds - Its possible existence and chemical implications

Interstellar UV radiation cannot penetrate into the interior of dense clouds, and cosmic ray ionization is thought to be the sole driver of the gas phase chemistry. However, cosmic ray energy deposition also involves electronic excitation of the absorbing gas. It appears, therefore, possible that emissions resulting from these excitations might maintain a significant flux of chemically effective UV photons in the interior of dense clouds. The present investigation is concerned with this possibility, taking into account a simplified approach. This approach involves a consideration of Lyman and Werner band photons of molecular hydrogen and their relevance to C and CO chemistry. The results of this investigation suggest that a chemically significant flux of UV photons may exist inside dense clouds due to cosmic ray excitation of the various band systems of hydrogen. These photons would recover C I from the CO reservoir in dense clouds via photodissociation at an order of magnitude faster rate than that possible in connection with the reaction of CO with He(+).

Prasad, S. S.↗
NASA NTRS1994

Ionospheric response to the sustained high geomagnetic activity during the March '89 great storm

A simulation was conducted to model the high-latitude ionospheric to the sustaied level of high geomagnetic activity for the great magnetic storm period of March 13-14, 1989. The geomagnetic and solar activity indices and the Defense Meterological Satellite Program (DMSP) F8 and F9 satellite data for particle precipitation and high-latitude convection were used as inputs to a time-dependent ionospheric model (TDIM). The results of the TDIM were compared to both DMSP plasma density data and ground-based total electron content (TEC) measurements for the great storm period as well as with earlier storm observations. The comparisons show that the overall structure of the high-latitude ionosphere was dominated by an increased convection speed within the polar cap that led to increased ion temperatures. In turn, this enhanced the NO(+) density, raised the atomic-to-molecular ion transition height to over 300 km, decreased N(sub m)F(sub 2), increased h(sub m)F(sub 2), and in places either increased n(sub e) at 800 km or slightly decreased it. The morphology of the ionosphere under these extreme conditions was considerably different than that modeled for less distributed intervals. These differences included the character of the dayside tongue of ionization that no longer extended deep into the polar cap. Instead, as a result of the ion heating and consequent reduction in N(sub m)F(sub 2), a large polar hole occupied much of the polar region. This polar hole extended beyond the auroral oval and merged with the night sector midatitude trough. The limitaions associated with the applicability of the TDIM to the geomagnetic conditions present on March 13 and 14 are discussed. The primary limitations of the TDIM derive from the limited temporal resolution of the model input parameters and the lack of suitably dynamic thermospheric specification for the great storm conditions. These limitations leads to midlatitude ionospheric storm phases that do no follow those observed.

Sojka, J. J.↗
NASA NTRS2009

Zinc Alloys for the Fabrication of Semiconductor Devices

ZnBeO and ZnCdSeO alloys have been disclosed as materials for the improvement in performance, function, and capability of semiconductor devices. The alloys can be used alone or in combination to form active photonic layers that can emit over a range of wavelength values. Materials with both larger and smaller band gaps would allow for the fabrication of semiconductor heterostructures that have increased function in the ultraviolet (UV) region of the spectrum. ZnO is a wide band-gap material possessing good radiation-resistance properties. It is desirable to modify the energy band gap of ZnO to smaller values than that for ZnO and to larger values than that for ZnO for use in semiconductor devices. A material with band gap energy larger than that of ZnO would allow for the emission at shorter wavelengths for LED (light emitting diode) and LD (laser diode) devices, while a material with band gap energy smaller than that of ZnO would allow for emission at longer wavelengths for LED and LD devices. The amount of Be in the ZnBeO alloy system can be varied to increase the energy bandgap of ZnO to values larger than that of ZnO. The amount of Cd and Se in the ZnCdSeO alloy system can be varied to decrease the energy band gap of ZnO to values smaller than that of ZnO. Each alloy formed can be undoped or can be p-type doped using selected dopant elements, or can be n-type doped using selected dopant elements. The layers and structures formed with both the ZnBeO and ZnCdSeO semiconductor alloys - including undoped, p-type-doped, and n-type-doped types - can be used for fabricating photonic and electronic semiconductor devices for use in photonic and electronic applications. These devices can be used in LEDs, LDs, FETs (field effect transistors), PN junctions, PIN junctions, Schottky barrier diodes, UV detectors and transmitters, and transistors and transparent transistors. They also can be used in applications for lightemitting display, backlighting for displays, UV and visible transmitters and detectors, high-frequency radar, biomedical imaging, chemical compound identification, molecular identification and structure, gas sensors, imaging systems, and for the fundamental studies of atoms, molecules, gases, vapors, and solids.

Ryu, Yungryel↗
NASA NTRS2009

90 GHz and 150 GHz Observations of the Orion M42 Region. A Submillimeter to Radio Analysis

We have used the new 90GHz MUSTANG camera on the Robert C. Green Bank Telescope (GBT)to map the bright Huygens region of the star-forming region M42 with a resolution of 9" and a sensitivity of 2.8 mJy/beam. Ninety GHz is an interesting transition frequency, as MUSTANG detects both the free-free emission characteristic of the H II region created by the Trapezium stars, normally seen at lower frequencies, and thermal dust emission from the background OMCI molecular cloud, normally mapped at higher frequencies. We also present similar data from the 150 GHz GISMO camera taken on the IRAM 30 m telescope. This map has 15" resolution. By combining the MUSTANG data with 1.4, 8. and 31 GHz radio data from the VLA and GBT, we derive a new estimate of the emission measure averaged electron temperature of T(sub e) = 11376+/-1050 K by an original method relating free-free emission intensities at optically thin and optically thick frequencies. Combining Infrared Space Observatory-long wavelength spectrometer (ISO-LWS) data with our data, we derive a new estimate of the dust temperature and spectral emissivity index within the 80" ISO-LWS beam toward Orion KL/BN, T(sub d) = 42+/-3 K and Beta(sub d) = 1.3+/-0.1. We show that both T(sub d) and Beta(sub d) decrease when going from the H II region and excited OMCI interface to the denser UV shielded part OMCI (Orion KL/BN, Orion S). With a model consisting of only free-free and thermal dust emission, we are able to fit data taken at frequencies from 1.5 GHz to 854 GHz (350 micrometers).

Dicker, S. R.↗
NASA NTRS2021

Machine Learning the COSMO Model for Predicting Thermodynamics of Electrolyte Mixtures

Bottom-up design of electrolyte mixtures for battery systems requires predicting macro thermodynamic properties from molecular constituents. For instance, molten salt electrolyte batteries require conditions far above room temperature to operate. Therefore, discovering mixtures with increasingly lower eutectic melting points is desirable. A model that can approximate chemical activity is a valuable tool to search through the vast compositional design space. Machine learning can predict properties of materials such as vibrational free energies, electronic energy gaps, and thermal conductivities. Moreover, they can learn physical models such as interatomic potentials. The COSMO-SAC model uses theory and empirical parameterization to predict liquid-vapor and liquid-solid properties using first-principles calculations. However, obtaining activity coefficients required for parameterizing the COSMO-SAC model is costly and limited to a select chemical space. In this work, we explored if machine learning methods could improve the COSMO-SAC model and bridge density functional theory calculations to liquid phase thermodynamic properties. Our data-driven approach uses existing databases for sigma-profiles of organic solvents and reconciles their methodological differences via ensemble averaging. First, an optimal machine learning model is constructed for each dataset. Our machine learning algorithms use the sigma-profile as an input feature to predict binary mixtures' activity coefficients using multi-output regression. Each dataset uses different choices of functionals, methods, and basis sets. Therefore, our ensemble model attempts to predict corrected activity coefficients given the combination of all the model outputs. The activity coefficients used for training are generated using the COSMO-SAC model. This approach enables the extraction of meaningful information from the existing datasets to improve the COSMO-SAC model for obtaining thermodynamic properties of electrolyte mixtures. With the liquid phase activities, we can identify electrolyte mixtures that meet desired phase equilibria conditions.

Thermodynamics↗
NASA NTRSDate not supplied

Mixed-Domain Charge Transport in S-Se Alloys as a Li-S Battery Cathode Material

Lithium-sulfur batteries are emerging candidate systems for the next-generation long-range electric aircraft application owing to their potential to deliver high energy density per weight. Their cathodes are to be made primarily with sulfur, but sulfur by itself has much too low electron conductivity to serve as a useful cathode. An idea that has been suggested to overcome this bottleneck is to alloy sulfur with selenium in the hope that electron mobility, which is thought to improve charge transport at some expense of increased weight and reduced energy density. However, understanding of these alloy structures and their transport mechanism is insufficient, and electron mobility at varying degrees of selenium content is not well charted, which are critical for determining the optimum selenium content and testing whether this strategy is generally feasible. The difficulty of computationally characterizing these alloy systems is rooted in the structure. The structures of both sulfur and selenium exhibit eight-atom rings that pack together in various orientations to form their respective crystals. For one, because these crystals (and presumably their alloys as well) feature multiple polymorphs such that their structural coherence is rather unclear. Secondly, these are also relatively large systems (32 atoms per cell) with low-symmetry, which complicate computation both in terms of accuracy and efficiency. Thirdly, such semi-molecular, semi-crystalline structures lead to a combination of band-transport characteristics and hopping-transport characteristics, each of which is a domain with its own physics and set of computational, theoretical challenges. In addition, there is a general dearth of experimental transport data for sulfur-selenium alloys. In this study, we make a comprehensive attempt to tackle this problem using a wide array of first-principles methods. We generate special quasirandom structures to simulate alloy structures, and compute their first-principles Raman spectra for comparison with experimental data to ensure their structural soundness. We then proceed to use recently developed, state-of-the-art tool (AMSET) in order to efficiently compute electronic mobilities under band transport of pure sulfur, pure selenium, as well as their alloys of various compositions at a reasonable accuracy. We then sample numerous dimer configurations of nearest-neighbor eight-atom-ring-pairs and compute electronic hopping rates between them, which yields hopping mobility. A combination of these efforts lead to a general mapping of electron transport behaviors throughout the alloy range. Preliminary results show that introduction of selenium into sulfur initially damages electron mobility due to disorder but eventually improves it beyond that of pure sulfur with additional selenium content, ultimately peaking at the pure-selenium limit. Band transport dominates for holes in sulfur and electrons in selenium, but in all other cases, hopping transport is dominant. Ongoing efforts include determination of charge concentration and conductivity, as well as performing multiphysics modeling to determine the optimum selenium content for best tradeoff between conductivity and energy density for aircraft range.

Junsoo Park↗
NASA NTRS1994

(abstract) A Miniature, High-Sensitivity, Electron-Tunneling Accelerometer

A prototype low-noise accelerometer has been fabricated with an electron-tunneling transducer. By measuring the tunneling current between an electrode on the proof mass and a feedback-controlled monitor electrode, very small accelerations can be detected with high responsivity. This particular prototype (10x10x1.5 mm) was designed for underwater acoustic measurement from a few hertz to 1 kHz. The measured responsivity below the fundamental device resonance at 100 Hz is roughly 1500 volts per m/s(sup 2) with a measured noise spectral density of 10(sup -6) m/s(sup 2) per root hertz or less between 30 and 300 Hz. The noise floor is controlled primarily by 1/f noise in the tunneling current although the noise floor reaches the theoretical molecular-agitation limit at 100 hertz. The responsivity and directivity of the device were measured in a standard gradient-hydrophone calibrator; the noise floor was determined in a vacuum-ionization chamber assembled from commercial off-the-shelf components; and the detailed dynamics of the proof-mass motion were examined using a heterodyne laser interferometer that was scanned across the surface and synchronously detected with respect to the excitation.

accelerometer electron tunneling acoustic measurem↗