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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

New interstellar molecular transitions in the 2 millimeter range

A Sgr B2 kinetic temperature of about 47 K is derived based on observations of K components of the 9K-8K transition of CH3CCH. Interstellar line emission is detected in the 2 mm wavelength region from SO, (S-34)O, SO2, CH3OH, CH3CCH, CH3CH2CN, HC3N, and nine unidentified transitions. The methylacetylene K component data combined with the derived data reduction technique, demonstrates the utility of the molecule as a temperature probe of molecular clouds when two or more rotational transitions are observed. Evidence for the existence of interstellar HNO is presented, and an attempt is made to detect sulfuric acid, formic anhydride, and the 0-18 isotopic for CO2 in interstellar clouds and in the Venusian atmosphere during inferior conjunction.

Hollis, J. M.↗
NASA NTRS1982

Far-infrared rotational emission by carbon monoxide

Accurate theoretical collisional excitation rates are used to determine the emissivities of CO rotational lines for an H2 molecule content of at least 10,000/cu cm, temperature in the range 100-3000 K, and J not more than 60 under the assumption that the lines are optically thin. An approximate analytic expression for the emissivities which is valid in this region is obtained. Population inversions in the lower rotational levels occur for densities of molecular H2 around 1000-100,000/cu cm and temperatures T not more than about 50 K provided photon trapping is unimportant. Interstellar shocks observed edge-on are a potential source of weak millimeter-wave CO maser emission.

Mckee, C. F.↗
NASA NTRS1987

Optical observations related to the molecular chemistry in diffuse interstellar clouds

Observations, which have been published since 1979, of molecular species in diffuse clouds are discussed. Particular attention is given to the ultraviolet measurements of CO with the Copernicus and IUE satellites and to ground-based optical measurements of CH, CH(+), CN, and 02. These data encompass large enough samples to test the chemical schemes expected to occur in diffuse clouds. Upper limits for other species (e.g., H2O, H2O(+), and C3) place restrictions on the pathways for molecular production. Moreover, analysis of the rotational distribution of the C2 molecule results in the determination of the physical conditions of the cloud. These parameters, including density, temperature, and the intensity of the radiation field, are necessary for modeling the chemistry.

Federman, S. R.↗
NASA NTRS1993

Collapse and fragmentation of molecular cloud cores. I - Moderately centrally condensed cores

3D calculations of the collapse of moderately centrally condensed molecular cloud cores with varied thermal and rotational energies are presented. The calculations are carried out using a newly developed and tested second-order accurate radiative hydrodynamics code. Because of the use of a second-order accurate numerical scheme and initial clouds that resemble both observed prolate molecular cloud cores and magnetically supported clouds at the initiation of the dynamic collapse phase, the new models provide a superior estimate of the likelihood of fragmentation as a mechanism for binary star formation.

Boss, Alan P.↗
NASA NTRS1993

Validation of multi-temperature nozzle flow code NOZNT

A computer code NOZNT (Nozzle in n-Temperatures), which calculates one-dimensional flows of partially dissociated and ionized air in an expanding nozzle, is tested against five existing sets of experimental data. The code accounts for: a) the differences among various temperatures, i.e., translational-rotational temperature, vibrational temperatures of individual molecular species, and electron-electronic temperature, b) radiative cooling, and c) the effects of impurities. The experimental data considered are: 1) the sodium line reversal and 2) the electron temperature and density data, both obtained in a shock tunnel, and 3) the spectroscopic emission data, 4) electron beam data on vibrational temperature, and 5) mass-spectrometric species concentration data, all obtained in arc-jet wind tunnels. It is shown that the impurities are most likely responsible for the observed phenomena in shock tunnels. For the arc-jet flows, impurities are inconsequential and the NOZNT code is validated by numerically reproducing the experimental data.

Park, Chul↗
NASA NTRS1994

Validation of Multitemperature Nozzle Flow Code

A computer code nozzle in n-temperatures (NOZNT), which calculates one-dimensional flows of partially dissociated and ionized air in an expanding nozzle, is tested against three existing sets of experimental data taken in arcjet wind tunnels. The code accounts for the differences among various temperatures, i.e., translational-rotational temperature, vibrational temperatures of individual molecular species, and electron-electronic temperature, and the effects of impurities. The experimental data considered are (1) the spectroscopic emission data; (2) electron beam data on vibrational temperature; and (3) mass-spectrometric species concentration data. It is shown that the impurities are inconsequential for the arcjet flows, and the NOZNT code is validated by numerically reproducing the experimental data.

Park, Chul↗
NASA NTRS1999

An Abundance Analysis of Two Carbon-Rich Proto-Planetary Nebulae: IRAS Z02229+6208 And IRAS 07430+1115

In this paper, we present an LTE abundance analysis of two new proto-planetary nebulae, IRAS Z02229 + 6208 and IRAS 07430 + 1115, based on high-resolution (R approximately equal 55,000) optical echelle spectra. Results show that both stars are metal-poor ([Fe/H] = -0.5) and overabundant in C, N, and s-process elements. The average elemental abundances are [C/Fe] = +0.8, [N/Fe] = +1.2, and [s-process/Fe] = +1.4 for IRAS Z02229 + 6208, and [C/Fe] = +0.6, [N/Fe] = +0.4, and [s-process/Fe] = +1.6 for IRAS 07430+ 1115. These abundances suggest that the stars have experienced nucleo-synthesis on the asymptotic giant branch (AGB), and the resultant products of CNO, 3alpha, and s-process reactions were brought to the photosphere during shell flashes and deep mixing episodes during the AGB phase of their evolution. Of major significance is the measurement of a high Li abundance in both stars, log epsilon(Li) approximately equal 2.3 and 2.4 for IRAS Z02229 + 6208 and IRAS 07430 + 1115, respectively. This may be the result of hot bottom burning, below the deep convective zone. We also present an analysis of the circumstellar molecular (C2 and CN) and atomic (Na I and K I) absorption spectra of both stars. We derive rotational temperatures, column densities, and envelope expansion velocities using molecular C2 Phillips and CN Red system bands. The values derived for expansion velocities, 8-14 km/s, are typical of the values found for post-AGB stars. IRAS 07430+ 1115 is unusual in that it shows P Cygni-shaped C2 emission profiles in the spectra of the circumstellar envelope. A minimum distance for IRAS Z02229+6208, determined from interstellar Na I lines, suggests that it is evolved from an intermediate-mass star. Including these two stars, the number of post-AGB stars for which clear C, N, and s-process elemental overabundances are found rises to eight. IRAS Z02229 + 6208 is known to possess the 21 micron emission feature in its mid-infrared spectrum; these results support the idea that all 21 micron emission stars are carbon-rich post-AGB stars.

Reddy, Bacham E.↗
NASA NTRS2001

Formation of Planetary Systems

Stars are observed to be forming within cold regions of the galaxy called molecular clouds. A clump of gas and dust within a molecular cloud can collapse into a rotationally- supported disk orbiting the pre s sure -supported star. Such a disk has the same initial elemental composition as the growing star. At sufficient distances from the central star, it is cool enough for approx. 1 - 2% of this material to be in solid form, either remnant interstellar grains or condensates formed within the disk. During the infall stage, the disk is very active and probably highly turbulent. When the infall slows substantially or stops, the disk becomes more quiescent. The dust grows from micron-sized dust to kilometer-sized planetesimals by physical collisions, possibly aided by collective gravity. The dynamics of larger solid bodies within protoplanetary disks are better characterized. The primary perturbations on the orbits of kilometer-sized and larger planetesimals in protoplanetary disks are mutual gravitational interactions and physical collisions. These interactions lead to accretion (and in some cases erosion and fragmentation) of planetesimals. The most massive planets have the largest gravitationally-enhanced collision cross-sections, and accrete almost everything with which they collide. The size distribution of solid bodies becomes quite skewed, with a few large bodies growing much faster than the rest of the swarm, until they have accumulated most of the small bodies within their gravitational reach. Slower growth continues (at least for solid, earth-like planets) as the eccentricities of planetary embryos are pumped up by long-range mutual gravitational perturbations. As planetary masses increase, they become more efficient at stirring random velocities of neighboring bodies. If sufficiently massive and dense planets exist far enough from the star, they can eject material into interstellar space. In most models, giant planets begin their growth like terrestrial planets, but if they become massive enough before the protoplanetary disk dissipates, then they are able to accumulate substantial amounts of gas. Giant planet growth times predicted by current models are similar to estimates of the lifetime of the gaseous protoplanetary disk, so we don't know whether or not giant planets form in most protoplanetary disks. However, planets that become massive while a substantial amount of gas remains in the disk may migrate into the star as a consequence of their gravitational interactions with the disk.

Lissauer, Jack J.↗
NASA NTRS2003

A Dynamic Pathway for Stone-Wales Bond Rotation on Carbon Nanotubes through Diamond-Like Bonds

A new lower energy barrier with a two-step pathway of Stone-Wales (SW) ,ond rotation on carbon nanotubes (CNTs) is found through molecular dynamics (MD) simulations of CNTs under tension. The first step involves going over to a stable sp3-like metastable configuration with half rotated and partially tilted C-C bond. The second step involves going over to the fully rotated C-C bond with the formation of a SW defect in the nanotube. The energy barrier for this two-step dynamic pathway is significantly lower than the previously known static barrier for in-plane rotation of the C-C bond on a tensile strained (> 4%) CNT.

Wei, Chen-Yu↗
DOE OSTI2022

Structures of glasses created by multiple kinetic arrests

X-ray scattering has been used to characterize glassy itraconazole (ITZ) prepared by cooling at different rates. Faster cooling produces ITZ glasses with lower (or zero) smectic order with more sinusoidal density modulation, larger molecular spacing, and shorter lateral correlation between the rod-like molecules. We find that each glass is characterized by not one, but two fictive temperatures T f (the temperature at which a chosen order parameter is frozen in the equilibrium liquid). The higher T f is associated with the regularity of smectic layers and lateral packing, while the lower T f with the molecular spacings between and within smectic layers. This indicates that different structural features are frozen on different timescales. The two timescales for ITZ correspond to its two relaxation modes observed by dielectric spectroscopy: the slower δ mode (end-over-end rotation) is associated with the freezing of the regularity of molecular packing and the faster α mode (rotation about the long axis) with the freezing of the spacing between molecules. Finally, our finding suggests a way to selectively control the structural features of glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Rotational Dynamics of an Amphidynamic Zirconium Metal–Organic Framework Determined by Dielectric Spectroscopy

A zirconium metal–organic framework with a difluorophenylene rotator bearing a permanent electric dipole of ~3.2 D was synthesized, and its rotational motion was analyzed by temperature- and frequency-dependent broadband dielectric spectroscopy. While solid-state NMR confirms fast rotation qualitatively, the dissipation factors measured between 113 and 153 K suggested an activation energy E a = 2.6 kcal/mol, but deviations from a single Debye relaxation suggested a dynamic process that cannot be accounted for by a well-defined potential with a single activation barrier. The dynamic heterogeneity of the dipolar rotor was confirmed by analysis in terms of a Cole–Cole relaxation, which suggested a mean barrier of ~1.9 kcal/mol, with a heterogeneity that decreases as temperature increases. Based on the single-crystal structure, we propose that the kinetic heterogeneity results from a temperature-dependent potential where rotation motion is mediated by the escape of the rotator from an energy well created by a double Ph–H···F–Ph hydrogen bond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1970

Molecular collisions. XI

Scattering equations and cross sections for rotational excitation in collisions of rigid diatomic molecules interacting through soft potential

Curtiss, C. F.↗
NASA NTRS1997

Interstellar and cometary ices: Molecular emission from comet Hale-Bopp

Observations of rotational translations of neutral molecules, radicals and ions in the comet Hale-Bopp are reported on. Sample spectra and maps of the emission for the J = 1 to 0 transition of HCN, the J = 2 to 1 transition of CS and the J = 1 to 0 transition of HCO+ are presented. While the emission from HCN is typically centered on the position of the nucleus and is symmetric, the emission from HCO+ exhibits multiple peaks, together with evidence for acceleration away from the nucleus.

Irvine, W. M.↗
DOE OSTI2023

The selective heating effect of microwave irradiation on a binary mixture of water and polyethylene oxide: a molecular dynamics simulation approach

In this study, we investigate the molecular mechanisms of a microwave-driven selective heating process by performing molecular dynamics simulations for three different systems including pure water, pure polyethylene oxide (PEO), and water-PEO mixed systems in the presence of a microwave with two different intensities of electric field such as 0.001 V/Å -1 and 0.01 V/Å -1 at a frequency of 100 GHz. First, from performing molecular dynamics simulations of CO and CO 2 in the presence of the microwave, it is confirmed that the molecular dipole moment is responsible for the rotational motion induced by the oscillating electric field. Second, by analyzing the MD simulations of the pure water system, we discover that the dipole moment of water exhibits a time lag with respect to the microwave. During the heating process, however, the temperature, kinetic, and potential energies increase synchronously with the oscillating electric field of the microwave, showing that the heating of the water system is caused by the molecular reaction of water to the microwave. Comparing the water-PEO mixed system to the pure water and pure PEO systems, the water-PEO mixed system has a higher heating rate than the pure PEO system but a lower heating rate than the pure water system. Therefore, we conclude that heating the water-PEO mixed system is driven by water molecules selectively activated by microwave irradiation. Furthermore, we also calculate the diffusion coefficients of water molecules and PEO chains by describing their mean square displacements, demonstrating that the diffusion coefficients are increased in the presence of microwaves for both water and PEO in pure and mixed systems. Lastly, during the microwave heating process, the structures of the water-PEO mixed system are altered as a function of the intensity of electric field, which is mainly driven by the response of water molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A six degrees of freedom femtosecond laser system for fabrication of small-scale mechanical property specimens

Here, we present the details of a novel ultra-short pulsed laser machining workstation that has been employed for high-throughput laser machining of small-scale mechanical property specimens. This system employs a six degrees of freedom hexapod positioning stage capable of macroscopic movements at high positional accuracy. We developed a methodology that uses quantitative image analysis to measure key parameters required to minimize the hexapod positioning and rotational error. Application of this system to laser machining of small-scale 316L stainless steel tensile specimens and ultra-high molecular weight polyethylene compressive specimens using eucentric tilt and rotation about the specimen axis will be shown, where serial laser milling at a specimen tilt angle of 10° was used to effectively eliminate any taper in the sample cross section that is typically found in laser machining.

47 OTHER INSTRUMENTATION↗
NASA NTRS1997

Radiative heating of interstellar grains falling toward the solar nebula: 1-D diffusion calculations

As the dense molecular cloud that was the precursor of our Solar System was collapsing to form a protosun and the surrounding solar-nebula accretion disk, infalling interstellar grains were heated much more effectively by radiation from the forming protosun than by radiation from the disk's accretion shock. Accordingly, we have estimated the temperatures experienced by these infalling grains using radiative diffusion calculations whose sole energy source is radiation from the protosun. Although the calculations are 1-dimensional, they make use of 2-D, cylindrically symmetric models of the density structure of a collapsing, rotating cloud. The temperature calculations also utilize recent models for the composition and radiative properties of interstellar grains (Pollack et al. 1994. Astrophys. J. 421, 615-639), thereby allowing us to estimate which grain species might have survived, intact, to the disk accretion shock and what accretion rates and molecular-cloud rotation rates aid that survival. Not surprisingly, we find that the large uncertainties in the free parameter values allow a wide range of grain-survival results: (1) For physically plausible high accretion rates or low rotation rates (which produce small accretion disks), all of the infalling grain species, even the refractory silicates and iron, will vaporize in the protosun's radiation field before reaching the disk accretion shock. (2) For equally plausible low accretion rates or high rotation rates (which produce large accretion disks), all non-ice species, even volatile organics, will survive intact to the disk accretion shock. These grain-survival conclusions are subject to several limitations which need to be addressed by future, more sophisticated radiative-transfer models. Nevertheless, our results can serve as useful inputs to models of the processing that interstellar grains undergo at the solar nebula's accretion shock, and thus help address the broader question of interstellar inheritance in the solar nebula and present Solar System. These results may also help constrain the size of the accretion disk: for example, if we require that the calculations produce partial survival of organic grains into the solar nebula, we infer that some material entered the disk intact at distances comparable to or greater than a few AU. Intriguingly, this is comparable to the heliocentric distance that separates the C-rich outer parts of the current Solar System from the C-poor inner regions.

NASA Center ARC↗
NASA NTRS1999

Remote Thermal IR Spectroscopy of our Solar System

Indirect methods to detect extrasolar planets have been successful in identifying a number of stars with companion planets. No direct detection of an extrasolar planet has yet been reported. Spectroscopy in the thermal infrared region provides a potentially powerful approach to detection and characterization of planets and planetary systems. We can use knowledge of our own solar system, its planets and their atmospheres to model spectral characteristics of planets around other stars. Spectra derived from modeling our own solar system seen from an extrasolar perspective can be used to constrain detection strategies, identification of planetary class (terrestrial vs. gaseous) and retrieval of chemical, thermal and dynamical information. Emission from planets in our solar system peaks in the thermal infrared region, approximately 10 - 30 microns, substantially displaced from the maximum of the much brighter solar emission in the visible near 0.5 microns. This fact provides a relatively good contrast ratio to discriminate between stellar (solar) and planetary emission and optimize the delectability of planetary spectra. Important molecular constituents in planetary atmospheres have rotational-vibrational spectra in the thermal infrared region. Spectra from these molecules have been well characterized in the laboratory and studied in the atmospheres of solar system planets from ground-based and space platforms. The best example of such measurements are the studies with Fourier transform spectrometers, the Infrared Interferometer Spectrometers (IRIS), from spacecraft: Earth observed from NIMBUS 8, Mars observed from Mariner 9, and the outer planets observed from Voyager spacecraft. An Earth-like planet is characterized by atmospheric spectra of ozone, carbon dioxide, and water. Terrestrial planets have oxidizing atmospheres which are easily distinguished from reducing atmospheres of gaseous giant planets which lack oxygen-bearing species and are characterized by spectra containing hydrocarbons such as methane and ethane. Spectroscopic information on extrasolar planets thus can permit their classification. Spectra and spectral lines contain information on the temperature structure of the atmosphere. Line and band spectra can be used to identify the molecular constituents and retrieve species abundances, thereby classifying and characterizing the planet. At high enough spectral resolution characteristic planetary atmospheric dynamics and unique phenomena such as failure of local thermodynamic equilibrium can be identified. Dynamically induced effects such as planetary rotation and orbital velocity shift and change the shape of spectral features and must be modeled in detailed spectral studies. We will use our knowledge of the compositional, thermal and dynamical characteristics of planetary atmospheres in our own solar system to model spectra observed remotely on similar planets in extrasolar planetary systems. We will use a detailed radiative transfer and beam integration program developed for the modeling and interpretation of thermal infrared spectra measured from nearby planet planets to generate models of an extra-solar "Earth" and "Jupiter". From these models we will show how key spectral features distinguish between terrestrial and gaseous planets, what information can be obtained with different spectral resolution, what spectral features can be used to search for conditions for biogenic activity, and how dynamics and distance modify the observed spectra. We also will look at unique planetary phenomena such as atmospheric lasing and discuss their utility as probes for detection and identification of planets. Results of such studies will provide information to constrain design for instrumentation needed to directly detect extrasolar planets.

Kostiuk, Theodor↗
NASA NTRS1991

Molecular hydrogen in the vicinity of NGC 7538 IRS 1 and IRS 2 - Temperature and ortho-to-para ratio

Near-infrared spectroscopic observations of the active star-forming region near NGC 7538 IRS 1 and IRS 2 were made. The relative intensities of the v = 1-0 Q(1), Q(3), and Q(5) lines of molecular hydrogen are used to calculate a rotational excitation temperature. Comparison of the measured intensity of the Q(2) transition relative to the intensity of Q(1) and Q(3) permitted the retrieval of the ratio of ortho-to-para hydrogen. It is found that an ortho-to-para ratio of between 1.6 and 2.35 is needed to explain the Q-branch line intensity ratios, depending on the excitation model used. This range in ortho-to-para ratios implies a range of molecular hydrogen formation temperature of approximately 105 K to 140 K.

Hoban, Susan↗