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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

The rotational spectra of HCNH/+/ and COH/+/ from quantum mechanical calculations

A description is provided of ab initio molecular orbital calculations designed to provide accurate predictions for the J = 1 to 0 rotational line of the candidate interstellar molecules HCNH(+) and COH(+). The former is believed to be important in the formation of both HCN and HNC in the interstellar medium. The latter, a metastable isomer of HCO(+), was first proposed as an interstellar molecule by Herbst et al. (1976). Attention is given to thermochemical arguments that this molecule can be formed in the same reactions which are proposed to form HCO(+), taking into account theoretical data which establish its stability to intramolecular rearrangement. Rotational constants are derived by applying an empirical correction to the ab initio rotational constants.

Defrees, D. J.↗
NASA NTRS1974

Tentative identification of U93.174 as the molecular ion N2H/+/

On the basis of a consideration of the rotation constant and the hyperfine structure together with the results of an ab initio structural calculation it is suggested that the three closely space new interstellar lines near 93.174 GHz reported by Turner (1974) might have been produced by the molecular ion N2H(+). It is pointed out that the identification of N2H(+) is reasonable also in terms of current ideas of interstellar chemistry.

Green, S.↗
DOE OSTI2025

Electron recombination of rotationally cold D 2 H + ions

Dissociative recombination (DR) of electrons with small molecular ions is a fundamental process for the physics and chemistry of the interstellar medium and planetary atmospheres. In previous DR studies, detailed analysis of the experimental rate coefficients has been hindered by the difficulty of preparing the ions in well-defined quantum states. For polyatomic ions in particular, truly state-selective measurements have been elusive, allowing only qualitative benchmarks of theory. Here, we present DR studies of the deuterated triatomic hydrogen ion D 2 H + , where the molecular ions were stored for up to 1000 seconds inside the Cryogenic Storage Ring (CSR) prior to the DR measurements. Our experiments with rotationally cold D 2 H + ions allow for detailed comparison to state-of-the-art theoretical calculations. We obtain very good agreement between experiment and theory even in the important collision energy range from 1 meV to 0.5 eV, where a multitude of Rydberg resonances reveal their imprint on the rate coefficient.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1991

Methanol in the sky with diamonds

The present of gas phase methanol in dense interstellar molecular clouds was established by radio detection of its rotational emission lines. However, the position, width, and profile of a absorption band near 1470 cm(exp -1) in the IR spectra of many dense molecular clouds strongly suggests that solid methanol is an important component of interstellar ices. In an attempt to better constrain the identification of 1470 cm(exp -1) feature, we began a program to search for other characteristic absorption bands of solid state methanol in the spectra of objects known to produce this band. One such feature is now identified in the spectra of several dense molecular clouds and its position, width, and profile fit well with those of laboratory H2O:CH3OH ices. Thus, the presence of methanol-bearing ices in space is confirmed.

Allamandola, L. J.↗
DOE OSTI2023

Elastic scattering and rotational excitation of H 2 by electron impact: Convergent close-coupling calculations

We apply the adiabatic-nuclei molecular convergent close-coupling (MCCC) method to the study of elastic scattering and rotational excitation of H 2 by 0.01–20-eV electrons. Integral cross sections are presented for all rotational transitions with |Δ⁢N| ≤ 2 and N i = 0–31 within the v = 0 vibrational level and differential cross sections for a selection of transitions. Agreement with the available measurements and previous calculations is mostly excellent, depending on the transition and incident energy. Finally, we suggest possible reasons, and argue for the accuracy of the MCCC data.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1986

C II forbidden-line 158 micron mapping in Sagittarius A Rotation curve and mass distribution in the galactic center

Based on data obtained with the NASA Kuiper Airborne Observatory 91.4 cm telescope, the 158-micron fine structure line emission of C(+) is mapped near the galactic center. The strongest emission comes from a 10-pc FWHM diameter disk centered on Sgr A West whose dominant motion is rotation. Extended C(+) emission is also found from the +50 km/s galactic center molecular cloud, and a second cloud at v(LSR) of about -35 km/s. The rotation curve and mass distribution within 10 pc of the galactic center are derived, and the C(+) profiles show a drop-off of rotation velocity between 2 and 10 pc. A mass model is suggested with 2-4 million solar masses in a central point mass, and a M/L ratio of the central stellar cluster of 0.5 solar masses/solar luminosities, suggesting a large abundance of giants and relatively recent star formation in the center.

Lugten, J. B.↗
NASA NTRS2017

Atmospheric Beacons of Life from Exoplanets Around G and K Stars

The current explosion in detection and characterization of thousands of extrasolar planets from the Kepler mission, the Hubble Space Telescope, and large ground-based telescopes opens a new era in searches for Earth-analog exoplanets with conditions suitable for sustaining life. As more Earth-sized exoplanets are detected in the near future, we will soon have an opportunity to identify habitale worlds. Which atmospheric biosignature gases from habitable planets can be detected with our current capabilities? The detection of the common biosignatures from nitrogen-oxygen rich terrestrial-type exoplanets including molecular oxygen (O2), ozone (O3), water vapor (H2O), carbon dioxide (CO2), nitrous oxide (N2O), and methane (CH4) requires days of integration time with largest space telescopes, and thus are very challenging for current instruments. In this paper we propose to use the powerful emission from rotational-vibrational bands of nitric oxide, hydroxyl and molecular oxygen as signatures of nitrogen, oxygen, and water rich atmospheres of terrestrial type exoplanets "highlighted" by the magnetic activity from young G and K main-sequence stars. The signals from these fundamental chemical prerequisites of life we call atmospheric "beacons of life" create a unique opportunity to perform direct imaging observations of Earth-sized exoplanets with high signal-to-noise and low spectral resolution with the upcoming NASA missions.

exoplanets↗
DOE OSTI2026

Short and medium range structure in elastic deformation of metallic and covalent glasses

Here, we present a concise methodology to analyze structural response to the applied stress in amorphous solids, including metallic glasses (MG), glassy selenium, silica and polycarbonate, using high energy x-ray diffraction and atomic pair distribution function (PDF) analysis. To assess the structural anisotropy induced by applied axial stress, diffraction data were expanded into spherical harmonics. Using Bessel transformation, components of the structure function were converted into isotropic and anisotropic PDFs. The PDFs were compared to the expected model behavior for ideal elastic deformation to separate homogeneous affine strain from local non-affine strains. In metallic glass the range of non-affine deformation is limited to the nearest neighbor shell, suggesting local strain relaxation under stress that occurs even in the elastic regime. Beyond the second atomic shell strain is uniform. However, in glassy silica, polycarbonate and selenium strong local bonding inhibits local displacements and strain in short range order is accommodated by rotation of local units. Interestingly, beyond a molecular unit, deformation in covalent systems is similar to MG, and response of the medium range order scales with the macroscopic stress.

glassy structure↗
NASA NTRS1978

Conference on Protostars and Planets, University of Arizona, Tucson, Ariz., January 3-7, 1978, Proceedings

These papers deal with star formation, the origin of the solar system, and the possible formation of planets associated with other stars. Specific topics include chemical and isotopic anomalies in meteorites, laboratory analogs of interstellar dust, properties of dark globules, locations of newly formed stars in molecular clouds, O-star formation, observations of star-formation regions near supernova remnant W44, and equilibrium condensation of supernova ejecta. Other contributions discuss radio observations of molecular clouds associated with T Tauri stars, rotational velocities of pre-main-sequence stars, observational studies of star formation, characteristics of a possible preplanetary disk around the pre-main-sequence star MWC 349, calculations of the collapse of a rotating dusty protostellar cloud, a theory on the dynamics of dust particles in an incompressible turbulent fluid, and an analysis of the dynamical collapse of a model presolar nebula.

Gehrels, T.↗
NASA NTRS1980

Observations of interstellar H2O emission at 183 gigahertz

Observations of the 183-GHz rotational transition of water vapor in interstellar molecular clouds are reported. The observations were made with a portable double-sideband superheterodyne radiometer used with the 91-cm Cassegrain telescope on board the Kuiper Airborne Observatory. An emission feature was detected in the direction of the Kleinmann-Low nebula in Orion with a peak antenna temperature of 15 K, a local standard of rest velocity of 8 km/sec, and a width of 15 km/sec. A plateau component of the emission profile is attributed to the 1-arcmin region characteristic of plateau emission from other observed molecules, with emission enhanced over that expected for thermal excitation, while the spike component observed is consistent with an optically thick source of the size of the molecular ridge in Orion at a temperature of 50 K and a column density greater than or equal to 3 x 10 to the 17th/sq cm, implying that H2O is one of the more abundant species in the Orion Molecular Cloud. Emission at 183 GHz was not detected in Sgr A, Sgr B2, W3, W43, W49, W51, DR 21, NGC 1333, NGC 7027, GL 2591 or the Rho Oph cloud; it may have been detected in M 17.

Waters, J. W.↗
NASA NTRS1992

Radio spectroscopy of comets: Recent results and future prospects

We review the recent results of cometary radio spectroscopy (since 1988). Successful observations with several instruments yielded the detection of new molecular species, the simultaneous investigations of several rotational transitions of the same molecule, and mapping of the coma.

Crovisier, Jacques↗
NASA NTRS1993

Anatomy of the Photodissociation Region in the Orion Bar

Much of the interstellar gas resides in photodissociation regions whose chemistry and energy balance is controlled by the flux of far-ultraviolet radiation upon them. These photons can ionize and dissociate molecules and heat the gas through the photoelectric effect working on dust grains. These regions have been extensively modeled theoretically, but detailed observational studies are few. Mapping of the prominent Orion Bar photo-dissociation region at wavelengths corresponding to the carbon-hydrogen stretching mode of polycyclic aromatic hydrocarbons, the 1-0 S(l) line of molecular hydrogen, and the J = 1-0 rotational line of carbon monoxide allows the penetration of the far-ultraviolet radiation into the cloud to be traced. The results strongly support the theoretical models and show conclusively that the incident far-ultraviolet radiation field, not shocks as has sometimes been proposed, is responsible for the emission in the Orion Bar.

Tielens, A. G. G. M.↗
NASA NTRS1998

Study of Atmospheric Nitric Oxide

We investigated the contribution of energetic nitrogen atoms to the production of nitric oxide in the thermosphere and their influence on the infrared emission spectrum. The nitric oxide molecules are important contributors to the cooling of the atmosphere. We first pointed out that in determining the energy distribution of the nitrogen atoms, it is important to take into account the thermal motion of the atmospheric gases. It had been ignored in all earlier studies. The source spectra are broadened considerably by the center of mass motion of the reactants. We worked out the consequences for the production of nitric oxide at night, using as sources of energetic N atoms, NO(+) + e yield N + O, N(D-2) + O yield N + O. The high energy tail is enhanced by orders of magnitude. We had earlier suggested (Sharma et al. 1993) that the reaction of energetic nitrogen atoms with O2 was responsible for the rotationally enhanced NO identified in the infrared spectrum. Our calculations provided quantitative confirmation of the suggestion. We proceeded to explore the validity of another approximation used in earlier analyses, the hard sphere approximation for the energy loss in elastic collisions. We carried out precise quantum mechanical calculations of the elastic 2 differential scattering of nitrogen atoms in collisions with oxygen atoms and showed that although the hard sphere approximation was nowhere of high precision, reasonable results could be obtained with an effective cross section of 6 x 10(exp 15)sq cm. We also initiated a program to include inelastic energy loss processes in the determination of the energy distribution function. We began a calculation of the rotation and vibrational excitation cross sections of molecular nitrogen and nitrogen atoms and developed a method for including inelastic energy loss as a function of scattering angle in the Boltzmann equation. A procedure for obtaining the solution of the Boltzman equation was worked out.

Dalgarno, A.↗
NASA NTRS2006

A Brief Summary of Some of the Laboratory Astrophysics Workshop

Our present knowledge of the molecular universe has come primarily from radio observations [ I include here millimeter and submillimeter in this rubric]. There are a number of reasons for this but the primary one is the extremely high spectral resolution. The ease of observing emission from the volume of dense molecular clouds without significant attenuation by scattering from dust has shown this to be the powerful observational tool for molecular astronomy. Finally the relative simplicity of rotational compared to vibrational or electronic spectroscopy allows carrier identification as well as facile evaluation of cloud conditions such as density and temperature. These virtues become tenuous as the astronomical observations are pushed to higher frequencies for enhanced observational sensitivity. Thus precision rest frequencies are mandatory for the search for new species. We may inquire about which new species require particular attention, and which species may be relatively safely predicted on the basis of lower frequency laboratory measurements. For a rigid rotor the three rotational constants are sufficient to completely specify the transition frequencies. The intensities require the three components of the electric dipole moment. For semirigid species, where the centrifugal distortion, may be treated at the quartic level of angular momentum (Bunker et al. 1998), up to five additional constants are required (Watson 1967). There are a number of such species of considerable interest, where laboratory measurements are adequate for astronomical searches.

Klemperer, William↗
DOE OSTI2023

Identification and localization of rotational spectra using recurrent neural networks

A method of identifying molecular parameters in a complex mixture may include receiving a set of combined transition frequencies and analyzing the set of combined transition frequencies using a first trained artificial neural network to generate a plurality of separated transition frequency sets. Each of the plurality of separated frequency sets may be analyzed using a second trained artificial neural network to generate a respective set of estimated spectral parameters. The method may include identifying a set of molecular parameters corresponding to the set of separated transition frequencies.

Prozuments, Kirills↗