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NASA NTRS1986

Composition, structure and chemistry of interstellar dust

The observational constraints on the composition of the interstellar dust are analyzed. The dust in the diffuse interstellar medium consists of a mixture of stardust (amorphous silicates, amorphous carbon, polycyclic aromatic hydrocarbons, and graphite) and interstellar medium dust (organic refractory material). Stardust seems to dominate in the local diffuse interstellar medium. Inside molecular clouds, however, icy grain mantles are also important. The structural differences between crystalline and amorphous materials, which lead to differences in the optical properties, are discussed. The astrophysical consequences are briefly examined. The physical principles of grain surface chemistry are discussed and applied to the formation of molecular hydrogen and icy grain mantles inside dense molecular clouds. Transformation of these icy grain mantles into the organic refractory dust component observed in the diffuse interstellar medium requires ultraviolet sources inside molecular clouds as well as radical diffusion promoted by transient heating of the mantle. The latter process also returns a considerable fraction of the molecules in the grain mantle to the gas phase.

Tielens, Alexander G. G. M.↗

NASA NTRS2000

Implications of SWAS Observations for Interstellar Chemistry and Star Formation

A long standing prediction of steady state gas-phase chemical theory is that H2O and O2 are important reservoirs of elemental oxygen and major coolants of the interstellar medium. Analysis of SWAS observations has set sensitive upper limits on the abundance Of O2 and has provided H2O abundances toward a variety of star forming regions. Based on these results, we show that gaseous H2O and O2 are not dominant carriers of elemental oxygen in molecular clouds. Instead the available oxygen is presumably frozen on dust grains in the form of molecular ices, with a significant portion potentially remaining in atomic form, along with CO, in the gas phase. H2O and O2 are also not significant coolants for quiescent molecular gas. In the case of H2O, a number of known chemical processes can locally elevate its abundance in regions with enhanced temperatures, such as warm regions surrounding young stars or in hot shocked gas. Thus, water can be a locally important coolant. The new information provided by SWAS, when combined with recent results from the Infrared Space Observatory, also provide several hard observational constraints for theoretical models of the chemistry in molecular clouds and we discuss various models that satisfy these conditions.

Bergin, Edwin A.↗

NASA NTRS1987

The crucial role of cooling in the making of molecular clouds and stars

The role that velocity or pressure fluctuations in the H I clouds medium can play in initiating compression of sub-Jeans mass diffuse clouds is outlined. The frequently discussed idea is reviewed that substantial overpressures arising in the warm, medium and/or highly supersonic compressions of H I clouds can push sub-Jeans mass clumps to densities where gravity can take over and complete the star formation process. A nonequilibrium model is used to analyze the impact of external disturbances on gas clouds, and estimates of the required disturbance amplitudes are substantially reduced from previous estimates based on equilibrium arguments. The results reveal that a cloud which cools under compression is particularly sensitive to mild disturbances from its environment. Furthermore, the specific energy required to trigger effective compressions in a cooling medium is nearly independent of the cloud's mass. It is proposed that mildly nonlinear disturbances play a primary role in the formation of molecular cloud and stars.

Tohline, Joel E.↗

DOE OSTI2024

Properties of molecular clumps and cores in colliding magnetized flows

ABSTRACT We simulate the formation of molecular clouds in colliding flows of warm neutral medium with the adaptive mesh refinement code flash in eight simulations with varying initial magnetic field strength, between 0.01–5 μG. We include a chemical network to treat heating and cooling and to follow the formation of molecular gas. The initial magnetic field strength influences the fragmentation of the forming cloud because it prohibits motions perpendicular to the field direction and hence impacts the formation of large-scale filamentary structures. Molecular clump and core formation occurs anyhow. We identify 3D clumps and 3D cores, which are defined as connected, CO-rich regions. Additionally, 3D cores are heavily shielded. While we do not claim those 3D objects to be directly comparable to observations, this enables us to analyse their full virial state. With increasing field strength, we find more fragments with a smaller average mass; yet the dynamics of the forming clumps and cores only weakly depends on the initial magnetic field strength. The molecular clumps are mostly unbound, probably transient objects, which are weakly confined by ram pressure or thermal pressure, indicating that they are swept up by the turbulent flow. They experience significant fluctuations in the mass flux through their surface, such that the Eulerian reference frame shows a dominant time-dependent term due to their indistinct nature. We define the cores to encompass highly shielded molecular gas. Most cores are in gravitational-kinetic equipartition and are well described by the common virial parameter $\alpha _\mathrm{vir}$, while some undergo minor dispersion by kinetic surface effects.

Weis, M. (ORCID:0000000256838860)↗

NASA NTRS2005

Interstellar PAH in the Laboratory and in Space. What have we Learned from the New Generation of Laboratory and Observational Studies?

Polycyclic Aromatic Hydrocarbons (PAHs) are an important and ubiquitous component of carbon-bearing materials in space. PAHs are the best-known candidates to account for the IR emission bands (UIR bands) and PAH spectral features are now being used as new probes of the ISM. PAHs are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). In the model dealing with the interstellar spectral features, PAHs are present as a mixture of radicals, ions and neutral species. PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge for laboratory astrophysics is to reproduce (in a realistic way) the physical conditions that exist in the emission and/or absorption interstellar zones. An extensive laboratory program has been developed at NASA Ames to assess the physical and chemical properties of PAHs in such environments and to describe how they influence the radiation and energy balance in space and the interstellar chemistry. In particular, laboratory experiments provide measurements of the spectral characteristics of interstellar PAH analogs from the ultraviolet and visible range to the infrared range for comparison with astronomical data. This paper will focus on the recent progress made in the laboratory to measure the direct absorption spectra of neutral and ionized PAHs in the gas phase in the near-UV and visible range in astrophysically relevant environments. These measurements provide data on PAHs and nanometer-sized particles that can now be directly compared to astronomical observations. The harsh physical conditions of the IS medium - characterized by a low temperature, an absence of collisions and strong VUV radiation fields - are simulated in the laboratory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions are formed from the neutral precursors in an isolated environment at low temperature (of the order of 100 K). The spectra of neutral and ionized PAHs are measured using the high sensitivity methods of cavity ring down spectroscopy (CRDS). These experiments provide unique information on the spectra of free, cold large carbon molecules and ions in the gas phase. Intrinsic band profiles and band positions of cold gas-phase PAHs can now be measured with high-sensitivity spectroscopy and directly compared to the astronomical data. The electronic bands measured for ionized PAH are found to be intrinsically broad (about 20 cm(sup -1)) while the bands associated with the neutral precursors are narrower (of the order of 2 - 10 cm(sup -1)). The laboratory data are discussed and compared with recent astronomical spectra of large and narrow DIBs and with the spectra of circumstellar environments of selected carbon stars and the implications for the interstellar PAH population are derived. Preliminary results also show that carbon nanoparticles are formed during the short residence time of the precursors in the plasma.

Salama, Farid↗

NASA NTRS1989

Stochastic evolution of refractory interstellar dust during the chemical evolution of a two-phase interstellar medium

The evolution course of refractoary interstellar dust during the chemical evolution of a two-phase interstellar medium (ISM) is studied using a simple model of the chemical evolution of ISM. It is assumed that, in this medium, the stars are born in molecular clouds, but new nucleosynthesis products and stellar return are entered into a complementary diffuse medium; the well-mixed matter of each interstellar phase is repeatedly cycled stochastically through the complementary phase and back. The dust is studied on a particle-by-particle bases as it is sputtered by shock waves in the diffuse medium, accretes an amorphous mantle of gaseous refractory atoms while its local medium joins the molecular cloud medium, and encounters the possibility of astration within molecular clouds. Results are presented relevant to the size spectrum of accreted mantles, its age spectrum and the distinction among its several lifetimes, depletion factors of refractory atoms in the diffuse gas, and isotopic anomalies.

Liffman, Kurt↗

NASA NTRS2005

PAHs and the Diffuse Interstellar Bands. What have we Learned from the New Generation of Laboratory and Observational Studies?

Polycyclic Aromatic Hydrocarbons (PAHs) are an important and ubiquitous component of carbon-bearing materials in space. PAHs are the best-known candidates to account for the IR emission bands (UIR bands) and PAH spectral features are now being used as new probes of the ISM. PAHs are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). In the model dealing with the interstellar spectral features, PAHs are present as a mixture of radicals, ions and neutral species. PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge for laboratory astrophysics is to reproduce (in a realistic way) the physical conditions that exist in the emission and/or absorption interstellar zones, An extensive laboratory program has been developed at NASA Ames to characterize the physical and chemical properties of PAHs in astrophysical environments and to describe how they influence the radiation and energy balance in space and the interstellar chemistry. In particular, laboratory experiments provide measurements of the spectral characteristics of interstellar PAH analogs from the ultraviolet and visible range to the infrared range for comparison with astronomical data. This paper will focus on the recent progress made in the laboratory to measure the direct absorption spectra of neutral and ionized PAHs in the gas phase in the near-W and visible range in astrophysically relevant environments. These measurements provide data on PAHs and nanometer-sized particles that can now be directly compared to astronomical observations. The harsh physical conditions of the IS medium - characterized by a low temperature, an absence of collisions and strong V W radiation fields - are simulated in the laboratory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions are formed from the neutral precursors in an isolated environment at low temperature (of the order of 100 K). The spectra of neutral and ionized PAHs are measured using the high sensitivity methods of cavity ring down spectroscopy (CRDS). These experiments provide unique information on the spectra of free, cold large carbon molecules and ions in the gas phase. Intrinsic band profiles and band positions of cold gas-phase PAHs can now be measured with high- sensitivity spectroscopy and directly compared to the astronomical data. The electronic bands measured for ionized PAH are found to be intrinsically broad (about 20/cm) while the bands associated with the neutral precursors are narrower (of the order of 2 - 10/cm).

Salama, Farid↗

NASA NTRS2010

Formation of Benzene in the Interstellar Medium

Polycyclic aromatic hydrocarbons and related species have been suggested to play a key role in the astrochemical evolution of the interstellar medium, but the formation mechanism of even their simplest building block-the aromatic benzene molecule-has remained elusive for decades. Here we demonstrate in crossed molecular beam experiments combined with electronic structure and statistical calculations that benzene (C6H6) can be synthesized via the barrierless, exoergic reaction of the ethynyl radical and 1,3- butadiene, C2H + H2CCHCHCH2 --> C6H6, + H, under single collision conditions. This reaction portrays the simplest representative of a reaction class in which aromatic molecules with a benzene core can be formed from acyclic precursors via barrierless reactions of ethynyl radicals with substituted 1,3-butadlene molecules. Unique gas-grain astrochemical models imply that this low-temperature route controls the synthesis of the very first aromatic ring from acyclic precursors in cold molecular clouds, such as in the Taurus Molecular Cloud. Rapid, subsequent barrierless reactions of benzene with ethynyl radicals can lead to naphthalene-like structures thus effectively propagating the ethynyl-radical mediated formation of aromatic molecules in the interstellar medium.

Jones, Brant M.↗

NASA NTRS1972

Design and fabrication of the Brayton rotating unit

The Brayton rotating unit (BRU), operating on a gas bearing system, has been designed, fabricated, and demonstrated for use in a closed Brayton cycle space power conversion system. The BRU uses a binary mixture of xenon and helium (molecular weight, 83.8) as the cycle working fluid and bearing lubricating medium and was designed to produce from 2.25 to 10.5 kw sub e of 1200 Hz three-phase electrical power. The single-shaft rotating assembly operates at a design speed of 36,000 rpm and comprises a radial single-stage compressor, a four-pole Rice alternator rotor, and a radial inflow turbine. Four units, a dynamic simulator and three component research packages, were supplied to the NASA Lewis Research Center for performance testing and further development.

Davis, J. E.↗

NASA NTRS1996

Spectroscopic Evidence for Interstellar Ice in Comet Hyakutake

Volatile compounds in comets are the most pristine materials surviving from the time of formation of the Solar System, and thus potentially provide information about conditions that prevailed in the primitive solar material. Moreover, comets may have supplied a substantial fraction of the volatiles on the terrestrial planets, perhaps including organic compounds that played a role in the origin of life on Earth. Here we report the detection of hydrogen isocyanide (HNC) in comet Hyakutake. The abundance of HNC relative to hydrogen cyanide (HCN) is very similar to that observed in quiescent interstellar molecular clouds, and quite different from the equilibrium ratio expected in the outermost solar nebula, where comets are thought to form. Such a departure from equilibrium has long been considered a hallmark of gas-phase chemical processing in the interstellar medium, suggesting that interstellar gases have been incorporated into the comet's nucleus, perhaps as ices frozen onto interstellar grains. If this interpretation is correct, our results should provide constraints on the temperature of the solar nebula, and the subsequent chemical processes that occurred in the region where comets formed.

Irvine, W. M.↗

NASA NTRS1996

Spectroscopic evidence for interstellar ices in comet Hyakutake

Volatile compounds in comets are the most pristine materials surviving from the time of formation of the Solar System, and thus potentially provide information about conditions that prevailed in the primitive solar nebula. Moreover, comets may have supplied a substantial fraction of the volatiles on the terrestrial planets, perhaps including organic compounds that played a role in the origin of life on Earth. Here we report the detection of hydrogen isocyanide (HNC) in comet Hyakutake. The abundance of HNC relative to hydrogen cyanide (HCN) is very similar to that observed in quiescent interstellar molecular clouds, and quite different from the equilibrium ratio expected in the outermost solar nebula, where comets are thought to form. Such a departure from equilibrium has long been considered a hallmark of gas-phase chemical processing in the interstellar medium, suggesting that interstellar gases have been incorporated into the comet's nucleus, perhaps as ices frozen onto interstellar grains. If this interpretation is correct, our results should provide constraints on the temperature of the solar nebula, and the subsequent chemical processes that occurred in the region where comets formed.

Non-NASA Center↗

DOE OSTI2023

Collisional excitation of C2H− by H2: New interaction potential and scattering calculations

Interstellar anions play an important role in astrochemistry as being tracers of the physical and chemical conditions in cold molecular clouds and circumstellar gas. The local thermodynamic equilibrium is generally not fulfilled in media where anions are detected and radiative and collisional data are required to model the observed lines. The C2H− anion has not yet been detected in the interstellar medium; however, collisional data could be used for non-LTE models that would help in identifying the most intense lines. For this purpose, we have computed the first 4D potential energy surface (PES) of the C2H−–H2 complex using an explicitly correlated coupled-cluster approach. The PES is characterized by a single deep minimum with a well-depth of 924.96 cm−1. From this interaction potential, we derived excitation cross sections and rate coefficients of C2H− induced by collisions with para- and ortho-H2. The results obtained for collisions with para-H2 are compared to previous calculations performed using a 2D-PES obtained from an average over H2 rotations.

Chemistry↗

NASA NTRS1994

The 3.2-3.6 micron spectra of monoceros R2/IRS-3 and Elias 16

We have obtained 3.2-3.6 micron spectra, with a resolution lambda/delta-lambda approximately 750, of the protostar Mon R2/IRS-3 and of Elias 16, a background K giant behind the Taurus molecular cloud. A feature at 3,482 microns (2872/cm), with a full width at half-maximum of 0.09 microns (76/cm), is clearly seen in Mon R2/IRS-3. This feature is not detected in Elias 16. The 3.482 micron feature in Mon R2/IRS-3 is similar to a feature at 3.466-3.478 microns (2875-2885/cm) detected by Allamandola et al. in four protostars and attributed by these authors to a CH stretch in hydrocarbons dominated by sp3-bonded carbon. Neither Mon R2/IRS-3 nor Elias 16 shows absorption at 3.540 microns (2825/cm), which has been detected in two of the four protostars observed by Allamandola et al. and attributed by them to CH3OH ice. Our limit on CH3OH ice toward Elias 16 is compared to models of gas-grain chemistry in dark clouds. Our results confirm those of Allamandola et al. that at this resolution the 3.4 micron absorption due to dust in molecular clouds has very different spectral structure than that due to dust in the diffuse interstellar medium.

Sellgren, K.↗

NASA NTRS2014

Laboratory Determination of the Infrared Band Strengths of Pyrene Frozen in Water Ice: Implications for the Composition of Interstellar Ices

Broad infrared emission features (e.g., at 3.3, 6.2, 7.7, 8.6, and 11.3 micrometers) from the gas phase interstellar medium have long been attributed to polycyclic aromatic hydrocarbons (PAHs). A significant portion (10 to 20%) of the Milky Way's carbon reservoir is locked in PAH molecules, which makes their characterization integral to our understanding of astrochemistry. In molecular clouds and the dense envelopes and disks of young stellar objects (YSOs), PAHs are expected to be frozen in the icy mantles of dust grains where they should reveal themselves through infrared absorption. To facilitate the search for frozen interstellar PAHs, laboratory experiments were conducted to determine the positions and strengths of the bands of pyrene mixed with H2O and deuterium oxide ices. The deuterium oxide mixtures are used to measure pyrene bands that are masked by the strong bands of H2O, leading to the first laboratory determination of the band strength for the CH stretching mode of pyrene in water ice near 3.25 micrometers. Our infrared band strengths were normalized to experimentally determined ultraviolet (UV) band strengths, and we find that they are generally approximately 50% larger than those reported by Bouwman et al. (2011) based on theoretical strengths. These improved band strengths were used to reexamine YSO spectra published by Boogert et al. (2008) to estimate the contribution of frozen PAHs to absorption in the 5 to 8 micrometer spectral region, taking into account the strength of the 3.25 micrometer CH stretching mode. It is found that frozen neutral PAHs contain 5 to 9% of the cosmic carbon budget, and account for 2 to 9% of the unidentified absorption in the 5 to 8 micrometer region.

polycyclic aromatic hydrocarbons (PAHs)↗

NASA NTRS2005

Spectroscopy of Jet-Cooled Neutral and Ionized PAHs: Implications for Interstellar Dust

We present the gas-phase spectroscopy of neutral and ionized polycyclic aromatic hydrocarbons (PAHs) measured in the W-Visible-NIR range in an astrophysically relevant environment. These measurements provide data on PAHs and nanometer sized particles that can now be directly compared to astronomical observations. The harsh physical conditions of the IS medium - characterized by a low temperature, an absence of collisions and strong VUV radiation fields - are simulated in the laborat'ory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions are formed from the neutral precursors in an isolated environment at low temperature ($\sim lOO$-K). The spectra of neutral and ionized PAHs are measured using the high sensitivity methods of cavity ring down spectroscopy (CRDS) and multiplex integrated cavity output spectroscopy (MICOS). These experiments provide unique information on the spectra of free, cold large carbon molecules and ions in the gas phase. The electronic bands measured for ionized PAH are found to be intrinsically broad ($\geq$20 cm$^{-l}$) while the bands associated with the neutral precursors are narrower (of the order of 2 - 10 cm$^{-l}$). The laboratory data are discussed and compared with recent astronomical spectra of large and narrow DIBs and with the spectra of circumstellar environments of selected carbon stars (see contribution of Cami et al.) and the implications for the interstellar PAH population are derived. Preliminary results also show that carbon nanoparticles are formed during the short residence time of the precursors in the plasma. This finding holds great potential for understanding the formation process of interstellar grains.

Salama, F.↗

NASA NTRS1987

The H I distribution in clouds within galaxies

An interpretation is given for the relatively flat distribution of atomic hydrogen as a function of radius within the visible disks of spiral galaxies and the existence of a correlation between H I surface density and morphological class of spiral galaxy. The H I is mostly contained in constant column density envelopes of molecular clouds. The clouds have a two-dimensional filling factor of unity when a galaxy is viewed face on. The column density of the cloud envelopes depends on the ratio of flux of H2 dissociating radiation in the ambient medium to envelope gas density. The flat H I profiles imply the gas density and pressure follow the ultraviolet ambient flux on kiloparsec scales throughout a given galaxy. Later-type galaxies have larger ultraviolet surface brightnesses, as deduced from the H-alpha surface brightnesses. Therefore, thicker protective H I envelopes develop in late-type spirals.

Shaya, E. J.↗

NASA NTRS1988

Aperture synthesis mapping of molecular gas in high-luminosity IRAS galaxies

The Owens Valley millimeter-wave interferometer has been used for high-resolution mapping of the 2.6 mm CO emission from the high-luminosity infrared galaxies NGC 520 (Arp 157), NGC 7469 (Arp 298), and Arp 55. Assuming the same empirical relationship between CO brightness and molecular hydrogen surface mass density as has been found for giant molecular clouds in the Milky Way, it is found that the masses of H2 gas in these concentrations are 10 to the 9th - 10 to the 10th solar masses, typically one-third of the total molecular gas content of these galaxies. The interferometric sizes correspond to radii of 0.8 kpc (NGC 520), 1.4 kpc (NGC 7469), and less than 2.8 kpc (Arp 55). For the same regions the dynamical masses estimated from the CO line width and size of the emission region are only a factor of 3-5 higher. The mean molecular gas surface densities averaged over these regions are in the range 610-825 solar masses/sq pc, a factor of 10 brighter than those obtained for corresponding regions in the nucleus of the Milky Way. The high mass fractions obtained for the interstellar medium in the central regions of these three galaxies strongly suggest that large-scale gravitational instability in the gas may play an important role in the further concentration of the gas in the nucleus and in possibly precipitating a large-scale burst of star formation.

Sanders, D. B.↗

NASA NTRS2012

Submillimeter Measurements of Photolysis Products in Interstellar Ice Analogs: A New Experimental Technique

Over 150 molecular species have been confirmed in space, primarily by their rotational spectra at millimeter/submillimeter wavelengths, which yield an unambiguous identification. Many of the known interstellar organic molecules cannot be explained by gas-phase chemistry. It is now presumed that they are produced by surface reactions of the simple ices and/or grains observed and released into the gas phase by sublimation, sputtering, etc. Additionally, the chemical complexity found in meteorites and samples returned from comets far surpasses that of the remote detections for the interstellar medium (ISM), comets, and planetary atmospheres. Laboratory simulations of interstellar/cometary ices have found, from the analysis of the remnant residue of the warmed laboratory sample, that such molecules are readily formed; however, it has yet to be determined if they are formed during the warm phase or within the ice during processing. Most analysis of the ice during processing reveals molecular changes, though the exact quantities and species formed are highly uncertain with current techniques due to overwhelming features of simple ices. Remote sensing with high resolution spectroscopy is currently the only method to detect trace species in the ISM and the primary method for comets and icy bodies in the Solar System due to limitations of sample return. We have recently designed an experiment to simulate interstellar/cometary/planetary ices and detect trace species employing the same techniques used for remote observations. Preliminary results will be presented.

Milam, Stefanie N.↗