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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

The early evolution of stars

This review outlines the observational properties of young stellar objects as they evolve from their birth within dense rotating molecular cores to fully-formed pre-main sequence stars. Current work suggests that most of the mass which ultimately comprises a fully-formed star is transferred from a flattened infalling envelope (of size approximately several thousand AU) through a circumstellar accretion disk to the stellar surface. We summarize current estimates for the duration of the envelope infall and disk accretion phases and discuss the implication of these timescales for the formation of stars of different mass and of planetary systems.

Strom, Stephen E.↗
NASA NTRS2005

Variations in the Peak Position of the 6.2 micron Interstellar Emission Feature: A Tracer of N in the Interstellar Polycyclic Aromatic Hydrocarbon Population

This paper presents the results of an investigation of the molecular characteristics that underlie the observed peak position and profile of the nominal 6.2 micron interstellar emission band generally attributed to the CC stretching vibrations of polycyclic aromatic hydrocarbons (PAHs). It begins with a summary of recent experimental and theoretical studies ofthe spectroscopic properties of large (>30 carbon atoms) PAH cations as they relate to this aspect of the astrophysical problem. It then continues with an examination of the spectroscopic properties of a number of PAH variants within the context of the interstellar 6.2 micron emission, beginning with a class of compounds known as polycyclic aromatic nitrogen heterocycles (PANHs; PAHs with one or more nitrogen atoms substituted into their carbon skeleton). In this regard, we summarize the results of recent relevant experimental studies involving a limited set of small PANHs and their cations and then report the results of a comprehensive computational study that extends that work to larger PANH cations including many nitrogen-substituted variants of coronene(+) (C24H12(+)), ovalene(+) (C32H14(+)), circumcoronene(+) (C54H18(+)), and circum-circumcoronene(+) (C96H24(+)). Finally, we report the results of more focused computational studies of selected representatives from a number of other classes of PAH variants that share one or more of the key attributes of the PANH species studied. These alternative classes of PAH variants include (1) oxygen- and silicon-substituted PAH cations; (2) PAH-metal ion complexes (metallocenes) involving the cosmically abundant elements magnesium and iron; and (3) large, asymmetric PAH cations. Overall, the studies reported here demonstrate that increasing PAH size alone is insuEcient to account for the position of the shortest wavelength interstellar 6.2 micron emission bands, as had been suggested by earlier studies. On the other hand, this work reveals that substitution of one or more nitrogen atoms within the interior of the carbon skeleton of a PAH cation induces a significant blueshift in the position of the dominant CC stretching feature of these compounds that is suf6cient to account for the position of the interstellar bands. Subsequent studies of the effects of substitution by other heteroatoms (O and Si), metal ion complexation (Fe(+), Mg(+), and Mg(2+)), and molecular symmetry variation-all of which fail to reproduce the blueshift observed in the PANH cations-indicate that N appears to be unique in its ability to accommodate the position of the interstellar 6.2 micron bands while simultaneously satisfying the other constraints of the astrophysical problem. This result implies that the peak position of the interstellar feature near 6.2 micron traces the degree of nitrogen substitution in the population, that most of the PAHs responsible for the interstellar IR emission features incorporate nitrogen within their aromatic networks, and that a lower limit of 1%-2% of the cosmic nitrogen is sequestered within the interstellar PAH population. Finally, in view of the ubiquity and abundance of interstellar PAHs and the permanent dipoles and distinctive electronic structures of these nitrogen-substituted variants, this work impacts a wide range of observational phenomena outside of the infrared region of the spectrum including the forest of unidentified molecular rotational features and the anomalous Galactic foreground emission in the microwave, and the diffuse interstellar bands (DIBs) and other structure in the interstellar extinction curve in the ulhviolet/visible. These astrophysical ramifications are discussed, and the dipole moments and rotational constants are tabulated to facilitate further investigations of the astrophysical role of nitrogen-substituted aromatic compounds.

Hudgins, Douglas M.↗
NASA NTRS2013

What Do Millimeter Continuum and Spectral Line Observations Tell Us about Solar System Bodies?

Solar system objects are generally cold and radiate at low frequencies and tend to have strong molecular rotational transitions. Millimeter continuum and spectral line observations provide detailed information for nearly all solar system bodies. At these wavelengths, details of the bulk physical composition of icy surfaces, the size and albedo of small objects, the composition of planetary atmospheres can be measured as well as monitoring of time variable phenomena for extended periods (not restricted to nighttime observations), etc. Major issues in solar system science can be addressed by observations in the millimeter/sub-millimeter regime such as the origin of the solar system (isotope ratios, composition) and the evolution of solar system objects (dynamics, atmospheric constituents, etc). ALMA s exceptional sensitivity, large spectral bandwidth, high spectral resolution, and angular resolution (down to 10 milliarcsec) will enable researchers for the first time to better resolve the smallest bodies in the solar system and provide detailed maps of the larger objects. Additionally, measurements with nearly 8 GHz of instantaneous bandwidth to fully characterize solar system object s spectrum and detect trace species. The spatial information and line profiles can be obtained over 800 GHz of bandwidth in 8 receiver bands to not only assist in the identification of spectral lines and emission components for a given species but also to help elucidate the chemistry of the extraterrestrial bodies closest to us.

Milam, Stefanie N.↗
NASA NTRS2013

Spectroscopic Constants and Vibrational Frequencies for l-C3H+ and Isotopologues from Highly-Accurate Quartic Force Fields: The Detection of l-C3H+ in the Horsehead Nebula PDR Questioned

Very recently, molecular rotational transitions observed in the photon-dominated region of the Horsehead nebula have been attributed to l-C3H+. In an effort to corroborate this finding, we employed state-of-the art and proven high-accuracy quantum chemical techniques to compute spectroscopic constants for this cation and its isotopologues. Even though the B rotational constant from the fit of the observed spectrum and our computations agree to within 20 MHz, a typical level of accuracy, the D rotational constant differs by more than 40%, while the H rotational constant differs by three orders of magnitude. With the likely errors in the rotational transition energies resulting from this difference in D on the order of 1 MHz for the lowest observed transition (J = 4 yields 3) and growing as J increases, the assignment of the observed rotational lines from the Horsehead nebula to l-C3H+ is questionable.

ISM: individual objects↗
NASA NTRS1996

Ring Effect Studies: Rayleigh Scattering, including Molecular Parameters for Rotational Raman Scattering, and the Faunhofer Spectrum

Improved parameters for the description of Rayleigh scattering in air and for the detailed rotational Raman scattering component for scattering by O2 and N2 are presented for the wavelength range 200-1000 nm. These parameters enable more accurate calculations of bulk molecular scattering and of the 'Ring effect' for a variety of atmospheric radiative transfer and constituent retrieval applications. A solar reference spectrum with accurate absolute vacuum wavelength calibration, suitable for convolution with the rotational Raman spectrum for Ring effect calculations, has been produced and is briefly described. The solar-rotational Raman convolved product is available for fitting of atmospheric spectra.

Chance, K. V.↗
NASA NTRS1997

Bromine Dioxide, OBrO: The Rotational Spectrum and Molecular Properties

The spectra are well descrie by Hamiltonian which included centrifugal distortion efects for fine and hyperfine terms. The molecular structure and the harmonic force field have been derived, and they as well as fine and hyperfine structure constants, are compared with data of related molecules and ESR data from OBrO isolated in cryogenic salt matrices.

Bromine Dioxide Rotational Spectrum↗
NASA NTRS1979

On the possibility of analytical approximation of line forms during random disorders of the resonance frequencies in molecular vibration-rotation spectra for satellite sounding

The generalization spectral line contour concept and formulas for a two component mixture, as well as consequences of the general formula are discussed. The calculation procedure, initial information, calculation results and comparison of calculations with available experimental data, for radiation absorption in three CO2 bands are presented.

Fomin, V. V.↗
NASA NTRS1971

Semiclassical vibration-rotation transition probabilities for motion in molecular state averaged potentials.

Collision-induced vibration-rotation transition probabilities are calculated from a semiclassical three-dimensional model, in which the collision trajectory is determined by the classical motion in the interaction potential that is averaged over the molecular rotational state, and compared with those for which the motion is governed by a spherically averaged potential. For molecules that are in highly excited rotational states, thus dominating the vibrational relaxation rate at high temperature, it is found that the transition probability for rotational state averaging is smaller than that for spherical averaging. For typical collisions, the transition cross section is decreased by a factor of about 1.5 to 2.

Stallcop, J. R.↗
NASA NTRS1983

Protostellar rotation - Turbulence and heating of molecular clouds

The formation of rapidly rotating protostellar objects in turbulent and clumpy molecular clouds is analyzed. It is shown that the early dissipation of the protostellar rotational energy via a rotationally driven wind can keep their parent molecular clouds at the observed temperatures and in the observed turbulent state. The model requires a low space density of protostellar shells in order to provide the energy requirements to stabilize molecular clouds against gravitational collapse in regions of star formation. The dependence of this mechanism on the star formation rate suggests that the star formation is self-regulated.

Franco, J.↗
NASA NTRS1975

Calculation of rotational transition probabilities in molecular collisions - Application to N2 + N2

A computational method is proposed to obtain rotational transition probabilities in collisions between two diatomic molecules. The potential method of Rabitz and an exponential approximation are used to solve the semiclassical coupled equations without invoking any perturbational technique. The collision trajectory is determined in the classical modified-wave-number approximation. The method can treat systems involving strong interactions and provide probabilities for transitions even with a multiquantum jump. A simultaneous transition in the rotational states of both molecules, i.e., the rotational-rotational energy transfer, is taken into account. An application to the system N2 + N2 is presented.

Itikawa, Y.↗