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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Sub-millimeter Spectroscopy of Astrophysically Interesting Metal-Containing Molecules

With the advent of SOFIA and Herschel, new spectral windows will be opened for spectroscopy in the sub-millimeter region. To conduct science in this band, laboratory measurements must be carried out to provide accurate transition frequencies for molecular identification and physical interpretation. We are presently conducting such measurements using gas-phase submm direct absorption techniques. Of particular interest are simple molecules containing iron-peak elements, including carbides, and metal hydride ions (MH+), both which possess favorable transitions at submm wavelengths.

Ziurys, L. M.↗
NASA NTRS2004

Nitrogen Isotopic Imaging of Tagish Lake Carbon Globules

Chondritic meteorites and interplanetary dust particles commonly exhibit significant enrichments in deuterium (D) and N-15 relative to terrestrial materials. These anomalies are usually ascribed to low temperature chemical processes occurring in a presolar cold molecular cloud and/or physically similar regions of the outer solar nebula. The sizes of these anomalies vary considerably among different classes of meteorites, in some cases on a microscopic scale, reflecting differing degrees of alteration and dilution of the presolar components owing to parent body processing.

Messenger, S.↗
NASA NTRS1972

Applications of spectroscopy to remote determination of water quality

The use of remote laser Raman and molecular spectroscopic techniques to measure water quality is examined. Measurements cover biological, chemical, and physical properties of the water. Experimental results show chemical properties are harder to obtain remotely than biological or physical properties and that molecular spectroscopy seems to be the best method for obtaining water quality data.

Goldberg, M. C.↗
NASA NTRS2023

An ALMA Glimpse of Dense Molecular Filaments Associated with High-mass Protostellar Systems in the Large Magellanic Cloud

Recent millimeter/submillimeter facilities have revealed the physical properties of filamentary molecular clouds in relation to high-mass star formation. A uniform survey of the nearest, face-on star-forming galaxy, the Large Magellanic Cloud (LMC), complements the Galactic knowledge. We present ALMA survey data with a spatial resolution of ∼0.1 pc in the 0.87 mm continuum and HCO+ (4–3) emission toward 30 protostellar objects with luminosities of 104–105.5L⊙ in the LMC. The spatial distributions of the HCO+ (4–3) line and thermal dust emission are well correlated, indicating that the line effectively traces dense, filamentary gas with an H2 volume density of ≳105 cm−3 and a line mass of ∼103–104M⊙ pc−1. Furthermore, we obtain an increase in the velocity line widths of filamentary clouds, which follows a power-law dependence on their H2 column densities with an exponent of ∼0.5. This trend is consistent with observations toward filamentary clouds in nearby star-forming regions within ≲1 kpc from us and suggests enhanced internal turbulence within the filaments due to surrounding gas accretion. Among the 30 sources, we find that 14 are associated with hub-filamentary structures, and these complex structures predominantly appear in protostellar luminosities exceeding ∼5 × 104L⊙. The hub-filament systems tend to appear in the latest stages of their natal cloud evolution, often linked to prominent H II regions and numerous stellar clusters. Our preliminary statistics suggest that the massive filaments accompanied by hub-type complex features may be a necessary intermediate product in forming extremely luminous high-mass stellar systems capable of ultimately dispersing the parent cloud.

Marta M Sewilo↗
NASA NTRS1987

Mechanisms and observations for isotope fractionation of molecular species in planetary atmospheres

Chemcial and physical processes which may give rise to isotope fractionation of molecular species in the atmospheres of both earth and other planets are reviewed, along with observations of isotopically substituted molecules in planetary atmospheres. Mechanisms for production of isotope fractionation considered include atmospheric escape and the effect of isotope substitution on equilibrium constants (including those of phase changes), photolysis rates, and chemical reaction rates. The isotopes considered for compounds in the terrestrial atmosphere include D, T, C-13, C-14, N-15, O-18, and S-34. Compounds for which data about isotopic composition in the terrestrial atmosphere are summarized include CO, CO2, O3, N2O, NH3, SO2, H2S, H2O, H, H2, and CH4. Planetary atmospheres discussed include those of Venus, Mars, Jupiter, Saturn, Uranus, and Titan; isotopes reviewed are D, C-13, N-15, and O-18. Suggestions for additional research in the area of isotopically substituted molecules in atmospheres are offered.

Kaye, Jack A.↗
NASA NTRS1987

The physics of interstellar shock waves

This review discusses the observations and theoretical models of interstellar shock waves, in both diffuse cloud and molecular cloud environments. It summarizes the relevant gas dynamics, atomic, molecular and grain processes, radiative transfer, and physics of radiative and magnetic precursors in shock models. It then describes the importance of shocks for observations, diagnostics, and global interstellar dynamics. It concludes with current research problems and data needs for atomic, molecular and grain physics.

Shull, J. Michael↗
NASA NTRS1986

Boundary conditions for the paleoenvironment: Chemical and Physical Processes in dense interstellar clouds

The present research includes searches for important new interstellar constituents; observations relevant to differentiating between different models for the chemical processes that are important in the interstellar environment; and coordinated studies of the chemistry, physics, and dynamics of molecular clouds which are the sites or possible future sites of star formation. Recent research has included the detection and study of four new interstellar molecules; searches which have placed upper limits on the abundance of several other potential constituents of interstellar clouds; quantitative studies of comparative molecular abundances in different types of interstellar clouds; investigation of reaction pathways for astrochemistry from a comparison of theory and the observed abundance of related species such as isomers and isotopic variants; studies of possible tracers of energenic events related to star formation, including silicon and sulfur containing molecules; and mapping of physical, chemical, and dynamical properties over extended regions of nearby cold molecular clouds.

Irvine, W. M.↗
NASA NTRS1989

Accurate quantum chemical calculations

An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

Bauschlicher, Charles W., Jr.↗
NASA NTRS2008

Photochemically Synthesized Polyimides

An alternative to the conventional approach to synthesis of polyimides involves the use of single monomers that are amenable to photopolymerization. Heretofore, the synthesis of polyimides has involved multiple-monomer formulations and heating to temperatures that often exceed 250 C. The present alternative approach enables synthesis under relatively mild conditions that can include room temperature. The main disadvantages of the conventional approach are the following: Elevated production temperatures can lead to high production costs and can impart thermal stresses to the final products. If the proportions of the multiple monomeric ingredients in a given batch are not exactly correct, the molecular weight and other physical properties of the final material could be reduced from their optimum or desired values. To be useful in the alternative approach, a monomer must have a molecular structure tailored to exploit Diels-Alder trapping of a photochemically generated ortho-quinodimethane. (In a Diels-Alder reaction, a diene combines with a dienophile to form molecules that contain six-membered rings.) In particular, a suitable monomer (see figure) contains ortho-methylbenzophenone connected to a dienophile (in this case, a maleimide) through a generic spacer group. Irradiation with ultraviolet light gives rise to a photochemical intermediate the aforementioned ortho-quinodimethane from the ortho-methylbenzophenone. This group may react with the dienophile on another such monomer molecule to produce an oligomer that, in turn may react in a stepgrowth manner to produce a polyimide. This approach offers several advantages in addition to those mentioned above: The monomer can be stored for a long time because it remains unreactive until exposed to light. Because the monomer is the only active starting ingredient, there is no need for mixing, no concern for ensuring correct proportions of monomers, and the purity of the final product material is inherently high. The use of solvents is optional: The synthesis can be performed using the neat monomer or the monomer mixed with one or more solvent(s) in dilute or concentrated solution. The solubility of the monomer and the physical and chemical properties of the final polymer can be tailored through selection of the spacer group.

Meador, Michael A.↗
NASA NTRS1986

Clump 1 - An unusual molecular cloud complex near the Galactic center

The properties of the (C-12)O and (C-13)O emission from Clump I, a complex of molecular clouds which shows the largest noncircular velocities of any molecular material known in the Milky Way, are studied. Observations of the J = 1-0 rotational transitions of the above molecules are reported, and the large-scale distribution and kinematics of the molecular gas in the direction of Clump I are discussed. The small-scale structure is described based on one arcmin resolution of (C-13)O data. Physical properties of the molecular material are derived, and the dynamics of the Clump I clouds are discussed in the context of their stability against Galactic tidal forces. It is concluded that all the clouds in the complex are gravitationally bound, although their outer envelopes may be tidally disrupted by the Galactic potential. The relative motion of the clouds is qualitatively similar to giant molecular cloud complexes in spiral arms of the outer Galactic disk, but the velocities are higher.

Bania, T. M.↗
NASA NTRS2003

The Building Blocks of Materials: Gathering Knowledge at the Molecular Level

Two start-up positions were created within SD46 to pursue developments in the rapidly expanding areas of biomineralization and nano-technology. As envisioned by Dr. Sandor Lehoczy, the new laboratories to be developed must have the capacity to investigate not only processes associated with the self-assembly of molecules but also the examination of self-assembled structures. For these purposes, laboratories capable of performing the intended function, particularly light scattering spectroscopy and atomic force microscopy were created. What follows then are recent advances arising from the development of these new laboratories. With the implementation of the Atomic Force Microscopy Facility, examples of investigations that determine a correlation between the molecular structure of materials and their macroscopic physical properties are provided. In addition, examples of investigations with particular emphasis on the physical properties of protein crystals, at the molecular level, and subsequent macroscopic characteristics are as provided. Finally, progress in fabrication of technology at the nano-scale levels at the developmental stage is also presented.

Source record↗
NASA NTRS1980

Optical observations of interstellar molecules

Recent observational data are summarized on molecular species in diffuse interstellar clouds, and a comprehensive list of all species detected or sought is included. The discussion is focussed on the use of molecular observations to determine physical conditions in clouds, and on important species which provide constraints on cloud chemistry models. Directions for new research are suggested, including intensive work on the unidentified diffuse bands, which may have a molecular origin.

Snow, T. P., Jr.↗
NASA NTRS1990

CO excitation in four IR luminous galaxies

The correlation between the CO and far infrared luminosities of spiral galaxies is well established. The luminosity ration, L sub FIR/L sub CO in IR luminous active galaxies is, however, systematically five to ten times higher than in ordinary spirals and molecular clouds in our Galaxy. Furthermore, the masses of molecular hydrogen in luminous galaxies are large, M (H2) approx. equals 10(exp 10) solar magnitude, which indicates the observed luminosity ratios are due to an excess of infrared output, rather than a deficiency of molecular gas. These large amounts of molecular gas may fuel luminous galaxies through either star formation or nuclear activity. This interpretation rests on applying the M (H2)/L sub CO ratio calibrated in our Galaxy to galaxies with strikingly different luminosity ratios. But are the physical conditions of the molecular gas different in galaxies with different luminosity ratios. And, if so, does the proportionality between CO and H2 also vary among galaxies. To investigate these questions researchers observed CO (2 to 1) and (1 to 0) emission from four luminous galaxies with the Institute for Radio Astronomy in the Millimeter range (IRAM) 30 m telescope. Researchers conclude that most of the CO emission from these Arp 193, Arp 220, and Mrk 231 arises in regions with moderate ambient densities similar to the clouds in the Milky Way molecular ring. The emission is neither from dense hot cloud cores nor from the cold low density gas characteristic of the envelopes of dark clouds.

Radford, Simon J. E.↗
NASA NTRS2004

A Massively Parallel Hybrid Dusty-Gasdynamics and Kinetic Direct Simulation Monte Carlo Model for Planetary Applications

In order to understand the global structure, dynamics, and physical and chemical processes occurring in the upper atmospheres, exospheres, and ionospheres of the Earth, the other planets, comets and planetary satellites and their interactions with their outer particles and fields environs, it is often necessary to address the fundamentally non-equilibrium aspects of the physical environment. These are regions where complex chemistry, energetics, and electromagnetic field influences are important. Traditional approaches are based largely on hydrodynamic or magnetohydrodynamic (MHD) formulations and are very important and highly useful. However, these methods often have limitations in rarefied physical regimes where the molecular collision rates and ion gyrofrequencies are small and where interactions with ionospheres and upper neutral atmospheres are important. At the University of Michigan we have an established base of experience and expertise in numerical simulations based on particle codes which address these physical regimes. The Principal Investigator, Dr. Michael Combi, has over 20 years of experience in the development of particle-kinetic and hybrid kinetichydrodynamics models and their direct use in data analysis. He has also worked in ground-based and space-based remote observational work and on spacecraft instrument teams. His research has involved studies of cometary atmospheres and ionospheres and their interaction with the solar wind, the neutral gas clouds escaping from Jupiter s moon Io, the interaction of the atmospheres/ionospheres of Io and Europa with Jupiter s corotating magnetosphere, as well as Earth s ionosphere. This report describes our progress during the year. The contained in section 2 of this report will serve as the basis of a paper describing the method and its application to the cometary coma that will be continued under a research and analysis grant that supports various applications of theoretical comet models to understanding the inner comae of comets (grant NAGS- 13239 from the Planetary Atmospheres program).

Combi, Michael R.↗
NASA NTRS1994

Anatomy of a Photodissociation Region: High angular resolution images of molecular emission in the Orion Bar

We present observations of the molecular component of the Orion Bar, a prototypical Photodissociation Region (PDR) illuminated by the Trapezium cluster. The high angular resolution (6 sec-10 sec) that we have achieved by combining single-dish and interferometric observations has allowed us to examine in detail the spatial and kinematic morphology of this region and to estimate the physical characteristics of the molecular gas it contains. Our observations indicate that this PDR can be essentially described as a homogeneously distributed slab of moderately dense material (approximately 5 x 10(exp 4)/cu cm), in which are embedded a small number of dense (greater than 10(exp 6)/cu cm) clumps. The latter play little or no role in determining the thickness and kinetic temperature structure of this PDR. This observational picture is largely supported by PDR model calculations for this region, which we describe in detail in this work. We also find our model predictions of the intensities of a variety of atomic and molecular lines to be in good general agreement with a number of previous observations.

Tauber, Jan A.↗
NASA NTRS2022

Physical and Chemical Conditions in the N113 Star-Forming Region in the Low-Metallicity Large Magellanic Cloud

The Large Magellanic Cloud (LMC) is the nearest (~50 kpc) star-forming galaxy characterized by a low metallicity (Z~0.3-0.5 Z⨀) similar to galaxies during the early phases of their assembly. As a result, star formation studies in the LMC provide a stepping stone to understanding star formation at earlier epochs of the universe where these processes cannot be directly observed. N113 is one of the most prominent star-forming regions in the LMC hosting one of the most massive giant molecular clouds.N113 is small enough to be imaged in its entirety, but large enough to showcase many important phenomena such as multiple generations of stars, stellar feedback, and different environments. We present our findings from an investigation of the early stages of star formation in the N113 region using the Atacama Large Millimeter/submillimeter Array (ALMA)molecular line data probing a wide density range: 12CO, 13CO, and C18O (2-1), 13COand C18O (1-0), HCN (1-0), HCO+ (1-0), H13CN (1-0) and (3-2), H13CO+ (1-0) and (3-2), CS (2-1) and (5-4), as well as 1.3 mm and 3 mm continuum. We used the Python package quick clump to identify molecular clumps. We utilized the multiline non-LTE fitting tool based on models from RADEX developed by Finn et al. (2021, ApJ, 917, 106)to construct the CO, HCN, HCO+, and CS temperature and column density, and the H2density maps of N113. We constructed a catalog of molecular clumps including their physical properties, chemical abundances, sizes, velocities, and velocity dispersions. To establish the evolutionary status of the clumps, their positions were compared with previously identified young stellar objects (YSOs) from the Spitzer/SAGE and Herschel/HERITAGE surveys, as well as water and OH masers. We compared the properties of the clumps in N113 to those in the Galaxy and other regions in the LMC to assess the impact of the environment (e.g., metallicity, stellar feedback) on the star formation process.

Jonathon Noswitz↗
NASA NTRS1986

Aperture synthesis observations of the molecular ring in the galactic center

Reported are 88 GHz aperture synthesis observations of HCN J=1 yields 0 emission and absorption in the central 5 pc of the Galaxy. The data, taken by the Hat Creek mm-interferometer at 5" to 10" spatial and 4 km/s spectral resolution, show a complete, clumpy ring of molecular gas surrounding the ionized central 2 pc of the Galaxy. The ring is the inner edge of a larger disk extending to about 5 pc. Comparison with sub-mm line data suggests that the HCN 1-0 line is slightly optically thick and originates in subthermally populated gas. The clumpy line emission distribution reflects a combination of hydrogen volume and column density variations. The new data clearly show a close physical relation between the molecular and the ionized gas in the central cavity. The western arc appears to be the ionized inner surface of the molecular ring, and the northern arm and bar may be streamers of ionized gas falling from the ring toward the center. The dominant large scale velocity pattern of the majority of the molecular gas in the inner 5 pc is rotation. No overall radial motion of the ring greater than about 20 km/s is apparent. The rotation is perturbed in several ways; (1) there is a very large local velocity dispersion, (2) the ring shows changes in position angle and inclination (warps), (3) there is a bright, redshifted cloud which appears to be located in the western part of the ring but does not participate in the rotation. These characteristics and the high degree of clumpiness indicate a non-equilibrium configuration of short (less than or approx. 10 to the 4th power to 10 to the 5th power y) dynamical lifetime. The warping and tilting of the structure and the short dynamical lifetime make an accurate determination of equilibrium rotation velocity uncertain.

Guesten, R.↗