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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 217 records · Page 12
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NASA NTRS1985

Far-infrared line intensities of H2O and CO from warm molecular clouds

Takahashi et al. (1983) have studied the role of H2O in the overall energetics of warm molecular clouds with large optical depths. It was found that in molecular clouds associated with nearby or embedded luminosity sources, the dust is likely to be warmer than the molecular gas. Thus, the warm dust represents the primary source of heat for the gas. In some cases, H2O was found to cool the gas. Takahashi et al. (1983) have presented the formalism for treating H2O in an optically thick molecular cloud with embedded sources of luminosity. The total H2O heating and cooling rates were also calculated. In the present investigation, the emergent intensities of far-infrared lines of H2O and excited, rotational CO transitions from relatively warm molecular clouds based on the large-velocity gradient model of the previous study are calculated. It is found that the dominant submillimeter CO transitions are related to emission, while the H2O transitions can be either absorption or emission lines.

Takahashi, T.↗
NASA NTRS1991

Supernova remnants in dense clouds. I - Blast-wave dynamics and X-ray irradiation

Simplified models of cooling SNRs in uniform media together with an idealized emission spectrum are used to investigate the X-ray irradiation of the surrounding gas. The radiative transfer of the emitted X-rays through both the dense cooling shell and the unshocked cloud is calculated, with a simplified treatment to allow for an ionized zone surrounding the SNR. Numerical results are presented for SN energy of 10 exp 51 ergs and ambient densities ranging from 100 to 1,000,000 cu cm. It is found that an appreciable fraction of the X-ray energy is absorbed in regions where the X-ray energy deposited per H nucleon is between 1 and 30 eV; if the gas is initially molecular, the X-ray irradiation will result in warm molecular gas in which endothermic chemical reactions may proceed, and from which there may be strong emission in rotation-vibration transitions of H2 and other molecular species.

Draine, B. T.↗
NASA NTRS1982

The rotational spectra of HOCO/plus/, HOCN, HN3, and HNCO from quantum mechanical calculations

Ab initio molecular orbital theory has been used to determine the equilibrium geometries, rotational constants, and rotational spectra of four isoelectronic molecules. Two of these, HOCO(plus) and HOCN, are candidate interstellar molecules. The other two, HNCO and HN3, have known rotational constants. Theoretical rotational constants and spectra for the two unknown species were corrected with the mean experimental to theoretical ratios from the two known species. This procedure resulted in predicted frequencies of 83.75 plus or minus 0.2 GHz for the 4(04) to 3(03) transition in HOCN and 85.08 plus or minus 0.2 GHz for the same transition in HOCO(plus). These are the central lines of triplets whose other members are the 4(14) to 3(13) and 4(13) to 3(12) transitions. The triplet splittings were predicted to be 0.36 plus or minus 0.01 GHz for HOCN and 0.33 plus or minus 0.01 GHz for HOCO(plus). These results indicate that HOCO(plus) is a better candidate for the source of a series of lines reported by Thaddeus, Guelin, and Linke than is HOCN.

Defrees, D. J.↗
NASA NTRS1989

Effect of rotational and vibrational excitation on interaction of diatomic molecules

A general and computationally efficient approach evaluating the central-force potentials for interaction of rotationally and vibrationally excited molecules and molecular ions is presented. Examples of numerical calculations are given for interactions of diatomic systems (H2, N2 and O2) in ground electronic states. The approach can be applied in straightforward way to interaction of atoms and atomic ions with diatomic molecules in arbitrary rotational-vibrational states.

Kunc, Joseph A.↗
NASA NTRS1976

Deviation from a Maxwellian velocity distribution in regions of interstellar molecular hydrogen

The deviation from a Maxwellian velocity distribution caused by excitation of the J = 2 rotational level of parahydrogen (followed by radiative decay) in a molecular hydrogen gas is investigated. It is noted that inelastic collisions deplete the high-velocity tail of the distribution, while elastic collisions tend to refill it; the resulting steady-state distribution has a small depletion in the tail which slightly reduces the cooling rate of the gas. The elastic-collision transport is approximated by a continuous process, a simplified expression is obtained for the inelastic-collision operator, and the Boltzmann equation is then solved analytically. A correction to the inelastic-collision rate is evaluated, and it is found that the relative magnitude of the effect of tail depletion on the inelastic-collision rate is strongly temperature-dependent. The critical molecular density above which the J = 2 level deexcites by superelastic collisions is shown to be a weak function of temperature.

Gould, R. J.↗
NASA NTRS1990

Central-force potentials for interaction of rotationally and vibrationally excited molecules

A general and computationally efficient approach evaluating the central-force potentials for interaction of rotationally and vibrationally excited molecules and molecular ions is presented. Examples of numerical calculations are given for interactions of diatomic systems (H2, N2 and O2) in ground electronic states. The approach can be applied in a straightforward way to interactions of atoms and atomic ions with diatomic molecules in arbitrary rotational-vibrational states.

Kunc, Joseph A.↗
NASA NTRS1992

Numerical models for the collapse and fragmentation of centrally condensed molecular cloud cores

The gravitational collapse and fragmentation of centrally condensed molecular cloud cores are investigated using a new hydrodynamical code. The numerical scheme is second-order accurate and uses explicit finite difference methods to advance the fluid variables on a 3D Cartesian grid. Two initial power-law density profiles, rho varies as r exp -1 and rho varies as r exp -2, are considered, as well as two initial density perturbations in the azimuthal coordinate theta, rho-i - rho(1 + a cos 2theta) where a = 0.1 and 0.5. Fragmentation is found to be possible in these centrally condensed cores if the initial conditions also include differential rotation. Models which collapse with initial uniform rotation do not produce fragments. If molecular cloud cores are indeed centrally condensed, as suggested by observations of star-forming regions and by studies of ambipolar diffusion, then differential rotation may be a mechanism for producing binary protostars during gravitational collapse.

Myhill, Elizabeth A.↗
NASA NTRS2022

ALMA Observations of Molecular Complexity in the Large Magellanic Cloud: The N105 Star-Forming Region

The Large Magellanic Cloud (LMC) is the nearest laboratory for detailed studies on the formation and survival of complex organic molecules (COMs), including biologically important ones, in lowmetallicity environments—typical for earlier cosmological epochs. We report the results of 1.2 mm continuum and molecular line observations of three fields in the star-forming region N105 with the Atacama Large Millimeter/submillimeter Array (ALMA). N105 lies at the western edge of the LMC bar with on-going star formation traced by H2O, OH, and CH3OH masers, ultracompact Hii regions, and young stellar objects. Based on the spectral line modeling, we estimated rotational temperatures, column densities, and fractional molecular abundances for twelve 1.2 mm continuum sources. We identified sources with a range of chemical make-ups, including two bona fide hot cores and four hot core candidates. The CH3OH emission is widespread and associated with all the continuum sources. COMs CH3CN and CH3OCH3 are detected toward two hot cores in N105 together with smaller molecules typically found in Galactic hot cores (e.g., SO2, SO, and HNCO) with the molecular abundances roughly scaling with metallicity. We report a tentative detection of the astrobiologically relevant formamide molecule (NH2CHO) toward one of the hot cores; if confirmed, this would be the first detection of NH2CHO in an extragalactic sub-solar metallicity environment. We suggest that metallicity inhomogeneities resulting from the tidal interactions between the LMC and the Small Magellanic Cloud (SMC) might have led to the observed large variations in COM abundances in LMC hot cores.

Marta Sewilo↗
NASA NTRS2007

Modeling of Radiative Transfer in Protostellar Disks

This program implements a spectral line, radiative transfer tool for interpreting Spitzer Space Telescope observations by matching them with models of protostellar disks for improved understanding of planet and star formation. The Spitzer Space Telescope detects gas phase molecules in the infrared spectra of protostellar disks, with spectral lines carrying information on the chemical composition of the material from which planets form. Input to the software includes chemical models developed at JPL. The products are synthetic images and spectra for comparison with Spitzer measurements. Radiative transfer in a protostellar disk is primarily affected by absorption and emission processes in the dust and in molecular gases such as H2, CO, and HCO. The magnitude of the optical absorption and emission is determined by the population of the electronic, vibrational, and rotational energy levels. The population of the molecular level is in turn determined by the intensity of the radiation field. Therefore, the intensity of the radiation field and the population of the molecular levels are inter-dependent quantities. To meet the computational challenges of solving for the coupled radiation field and electronic level populations in disks having wide ranges of optical depths and spatial scales, the tool runs in parallel on the JPL Dell Cluster supercomputer with C++ and Fortran compiler with a Message Passing Interface. Because this software has been developed on a distributed computing platform, the modeling of systems previously beyond the reach of available computational resources is possible.

VonAllmen, Paul↗
NASA NTRS1981

Inelastic scattering in planetary atmospheres. I - The Ring effect, without aerosols

The contribution of inelastic molecular scattering (Rayleigh-Brillouin and rotational Raman scattering) to the filling-in of Fraunhofer lines in the light of the blue sky is studied. Aerosol fluorescence is shown to be negligible, and aerosol scattering is ignored. The angular and polarization dependences of the filling-in detail for single scattering are discussed. An approximate treatment of multiple scattering, using a backward Monte Carlo technique, makes it possible to investigate the effects of the ground albedo. As the molecular scatterings alone produce more line-filling than is observed, it seems likely that aerosols dilute the effect by contributing unaltered sunlight to the observed spectra.

Kattawar, G. W.↗
NASA NTRS1986

A priori predictions of the rotational constants for protonated formaldehyde and protonated methanol

Protonated formaldehyde and protonated methanol are candidate interstellar molecules and models for classes of protonated oxygen compounds. Ab initio molecular orbital theory has been used to compute rotational constants to guide spectroscopic searches both in the laboratory and in space. The ab initio results are empirically correct to account for systematic deficiencies in the theory and zero-point vibrational effects; they are expected to be accurate to about + or - 2 percent. For H2COH(+) the resultant constants are (in GHz) A = 194.3, B = 34.28, and C = 29.14; for H3COH2(+) A = 103.7, B = 21.18, and C = 20.30.

Defrees, D. J.↗
NASA NTRS1985

A large, cold, and unusual molecular cloud in Monoceros

Observations of the J = 1 tends to 0 rotational transition of CO near the galactic plane in Monoceros (1 is approximately equal to 216 deg) reveal a molecular cloud with unusually low peak CO temperatures (less than 2 K) but wide lines (about 7 km/s) typical of much warmer clouds. At the assumed distance of 3 kpc, the cloud is large (250 x 100 pc), has a mass of 7-11 x 10 to the 5th solar masses, and is well removed from the galactic midplane (130 pc). Except for a possible H II region, all the signs of star formation usually shown by clouds of comparable mass are missing. The cloud, unlike cloud complexes of similar size, is a single, continuous object that apparently has not been torn apart by star formation. Clouds with such properties are rare in the Galaxy; only one or two similar objects have been found. The possibility that the cloud is young and not yet forming stars but will evolve into a typical cloud complex once star formation begins is discussed.

Maddalena, R. J.↗
NASA NTRS1991

The effect of the Mihalas, Hummer, and Daeppen equation of state and the molecular opacity on the standard solar model

Improvements to the Yale Rotating Stellar Evolution Code (YREC) by incorporating the Mihalas-Hummer-Daeppen equation of state, an improved opacity interpolation routine, and the effects of molecular opacities, calculated at Los Alamos, have been made. the effect of each of the improvements on the standard solar model has been tested independently by computing the corresponding solar nonradial oscillation frequencies. According to these tests, the Mihalas-Hummer-Daeppen equation of state has very little effect on the model's low l p-mode oscillation spectrum compared to the model using the existing analytical equation of state implemented in YREC. On the other hand, the molecular opacity does improve the model's oscillation spectrum. The effect of molecular opacity on the computed solar oscillation frequencies is much larger than that of the Mihalas-Hummer-Daeppen equation of state. together, the two improvements to the physics reduce the discrepancy with observations by 10 microHz for the low l modes.

Kim, Y.-C.↗