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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 1,135 records · Page 63
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DOE OSTI2014

Formation of different isotopomers of chloronium in the interstellar medium

The main focus of this paper is to explore the possibility of finding two deuterated isotopomers of H{sub 2}Cl{sup +} (chloronium) in and around the interstellar medium. The presence of a chloronium ion has recently been confirmed by the Herschel Space Observatory's Heterodyne Instrument for the far-infrared. It observed para-chloronium toward six sources in the Galaxy. To date the existence of its deuterated isotopomers (HDCl{sup +} and D{sub 2}Cl{sup +}) have not been discussed in the literature. We find that these deuterated gas phase ions could be destroyed by various ion-molecular reactions, dissociative recombination (DR), and cosmic rays (CRs). We compute all of the ion-molecular (polar) reaction rates by using the parameterized trajectory theory and the ion-molecular (non-polar) reaction rates by using the Langevin theory. For DR- and CR-induced reactions, we adopt two well-behaved rate formulas. We also include these rate coefficients in our large gas-grain chemical network to study the chemical evolution of these species around the outer edge of the cold, dense cloud. In order to study spectral properties of the chloronium ion and its two deuterated isotopomers, we have carried out quantum chemical simulations. We calculated ground-state properties of these species by employing second-order Moller-Plesset perturbation theory (MP2) along with quadruple-zeta correlation consistent (aug-cc-pVQZ) basis set. Infrared and electronic absorption spectra of these species are calculated by using the same level of theory. The MP2/aug-cc-pVQZ level of theory is used to report the different spectroscopic constants of these gas phase species. These spectroscopic constants are essential to predict the rotational transitions of these species. Our predicted column densities of D{sub 2}Cl{sup +}, HDCl{sup +}, along with spectral information may enable their future identification around outer edges of cold, dark clouds.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Self-sustained turbulence without dynamical forcing: A two-dimensional study of a bistable interstellar medium

In this paper, the nonlinear evolution of a bistable interstellar medium is investigated using two-dimensional simulations with a realistic cooling rate, thermal conduction, and physical viscosity. The calculations are performed using periodic boundary conditions without any external dynamical forcing. As the initial condition, a spatially uniform unstable gas under thermal equilibrium is considered. At the initial stage, the unstable gas quickly segregates into two phases: cold neutral medium (CNM) and warm neutral medium (WNM). Then, self-sustained turbulence with velocity dispersion of 0.1-0.2 km s{sup –1} is observed in which the CNM moves around in the WNM. We find that the interfacial medium (IFM) between the CNM and WNM plays an important role in sustaining the turbulence. The self-sustaining mechanism can be divided into two steps. First, thermal conduction drives fast flows streaming into concave CNM surfaces toward the WNM. The kinetic energy of the fast flows in the IFM is incorporated into that of the CNM through the phase transition. Second, turbulence inside the CNM deforms interfaces and forms other concave CNM surfaces, leading to fast flows in the IFM. This drives the first step again and a cycle is established by which turbulent motions are self-sustained.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Computational prediction of the spectroscopic parameters of methanediol, an elusive molecule for interstellar detection

The molecular structure of methanediol has been investigated by means of quantum chemical calculations. Two conformers, corresponding to C{sub 2} and C {sub s} symmetries, respectively, were considered. The C{sub 2} conformer is found to lie about 1.7 (at 298 K) or 2.3 (at 0 K) kcal mol{sup –1} below the C {sub s} conformer. Predictions for their rotational constants, vibrational frequencies, IR intensities, and dipole moments have been provided. The lowest-lying isomer has a very low dipole moment, around 0.03 D, whereas the C {sub s} conformer has a relatively high dipole moment, namely, 2.7 D. The barrier for the C {sub s} →C{sub 2} process is predicted to be around 0.7-1 kcal mol{sup –1}. Based on the energetic results the proportion of the C{sub s} conformer is likely to be negligible under low temperature conditions, such as in the interstellar medium. Therefore, it is predicted that detection by radioastronomy of methanediol would be rather unlikely.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Nucleation and stabilization of carbon-rich structures in interstellar media

We study the conditions under which carbon clusters of different sizes form and stabilize. We describe the approach to equilibrium by simulating tenuous carbon gas dynamics to long times. First, we use reactive molecular dynamics simulations to describe the nucleation of long chains, large clusters, and complex cage structures in carbon- and hydrogen-rich interstellar gas phases. We study how temperature, particle density, the presence of hydrogen, and carbon inflow affect the nucleation of molecular moieties with different characteristics, in accordance with astrophysical conditions. We extend the simulations to densities that are orders of magnitude lower than current laboratory densities, to temperatures that are relevant to circumstellar environments of planetary nebulae, and microsecond formation times. We correlate cluster size distributions from the simulations with thermodynamic equilibrium at low temperatures and gas densities, where entropy plays a significant role.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Widespread rotationally hot hydronium ion in the galactic interstellar medium

We present new Herschel observations of the (6,6) and (9,9) inversion transitions of the hydronium ion toward Sagittarius B2(N) and W31C. Sensitive observations toward Sagittarius B2(N) show that the high, ∼500 K, rotational temperatures characterizing the population of the highly excited metastable H{sub 3}O{sup +} rotational levels are present over a wide range of velocities corresponding to the Sagittarius B2 envelope, as well as the foreground gas clouds between the Sun and the source. Observations of the same lines toward W31C, a line of sight that does not intersect the Central Molecular Zone but instead traces quiescent gas in the Galactic disk, also imply a high rotational temperature of ∼380 K, well in excess of the kinetic temperature of the diffuse Galactic interstellar medium. While it is plausible that some fraction of the molecular gas may be heated to such high temperatures in the active environment of the Galactic center, characterized by high X-ray and cosmic-ray fluxes, shocks, and high degree of turbulence, this is unlikely in the largely quiescent environment of the Galactic disk clouds. We suggest instead that the highly excited states of the hydronium ion are populated mainly by exoergic chemical formation processes and the temperature describing the rotational level population does not represent the physical temperature of the medium. The same arguments may be applicable to other symmetric top rotors, such as ammonia. This offers a simple explanation of the long-standing puzzle of the presence of a pervasive, hot molecular gas component in the central region of the Milky Way. Moreover, our observations suggest that this is a universal process not limited to the active environments associated with galactic nuclei.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Interstellar simulations using a unified microscopic-macroscopic Monte Carlo model with a full gas-grain network including bulk diffusion in ice mantles

We have designed an improved algorithm that enables us to simulate the chemistry of cold dense interstellar clouds with a full gas-grain reaction network. The chemistry is treated by a unified microscopic-macroscopic Monte Carlo approach that includes photon penetration and bulk diffusion. To determine the significance of these two processes, we simulate the chemistry with three different models. In Model 1, we use an exponential treatment to follow how photons penetrate and photodissociate ice species throughout the grain mantle. Moreover, the products of photodissociation are allowed to diffuse via bulk diffusion and react within the ice mantle. Model 2 is similar to Model 1 but with a slower bulk diffusion rate. A reference Model 0, which only allows photodissociation reactions to occur on the top two layers, is also simulated. Photodesorption is assumed to occur from the top two layers in all three models. We found that the abundances of major stable species in grain mantles do not differ much among these three models, and the results of our simulation for the abundances of these species agree well with observations. Likewise, the abundances of gas-phase species in the three models do not vary. However, the abundances of radicals in grain mantles can differ by up to two orders of magnitude depending upon the degree of photon penetration and the bulk diffusion of photodissociation products. We also found that complex molecules can be formed at temperatures as low as 10 K in all three models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Revealing asymmetries in the HD 181327 debris disk: A recent massive collision or interstellar medium warping

New multi-roll coronagraphic images of the HD 181327 debris disk obtained using the Space Telescope Imaging Spectrograph on board the Hubble Space Telescope reveal the debris ring in its entirety at high signal-to-noise ratio and unprecedented spatial resolution. We present and apply a new multi-roll image processing routine to identify and further remove quasi-static point-spread function-subtraction residuals and quantify systematic uncertainties. We also use a new iterative image deprojection technique to constrain the true disk geometry and aggressively remove any surface brightness asymmetries that can be explained without invoking dust density enhancements/deficits. The measured empirical scattering phase function for the disk is more forward scattering than previously thought and is not well-fit by a Henyey-Greenstein function. The empirical scattering phase function varies with stellocentric distance, consistent with the expected radiation pressured-induced size segregation exterior to the belt. Within the belt, the empirical scattering phase function contradicts unperturbed debris ring models, suggesting the presence of an unseen planet. The radial profile of the flux density is degenerate with a radially varying scattering phase function; therefore estimates of the ring's true width and edge slope may be highly uncertain. We detect large scale asymmetries in the disk, consistent with either the recent catastrophic disruption of a body with mass >1% the mass of Pluto, or disk warping due to strong interactions with the interstellar medium.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Peptide bond formation through gas-phase reactions in the interstellar medium: formamide and acetamide as prototypes

A theoretical study of the reactions of NH{sub 4}{sup +} with formaldehyde and CH{sub 5}{sup +} with formamide is carried out. The viability of these gas-phase ion-molecule reactions as possible sources of formamide and acetamide under the conditions of interstellar medium is evaluated. We report a theoretical estimation of the reaction enthalpies and an analysis of their potential energy surfaces. Formation of protonated formamide from the reaction between ammonium cation and formaldehyde is an exothermic process, but all the channels located on the potential energy surface leading to this product present net activation energies. For the reaction between methanium and formamide, different products are possible from a thermodynamic point of view. An analysis of its potential energy surface showed that formation of protonated acetamide and amino acetaldehyde takes place through barrier-free paths. Therefore, this reaction could be a feasible source of acetamide and amino acetaldehyde in space.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Diverse properties of interstellar medium embedding gamma-ray bursts at the epoch of reionization

Analysis is performed on ultra-high-resolution large-scale cosmological radiation-hydrodynamic simulations to quantify, for the first time, the physical environment of long-duration gamma-ray bursts (GRBs) at the epoch of reionization. We find that, on parsec scales, 13% of GRBs remain in high-density (≥10{sup 4} cm{sup –3}) low-temperature star-forming regions, whereas 87% of GRBs occur in low-density (∼10{sup –2.5} cm{sup –3}) high-temperature regions heated by supernovae. More importantly, the spectral properties of GRB afterglows, such as the neutral hydrogen column density, total hydrogen column density, dust column density, gas temperature, and metallicity of intervening absorbers, vary strongly from sight line to sight line. Although our model explains extant limited observationally inferred values with respect to circumburst density, metallicity, column density, and dust properties, a substantially larger sample of high-z GRB afterglows would be required to facilitate a statistically solid test of the model. Our findings indicate that any attempt to infer the physical properties (such as metallicity) of the interstellar medium (ISM) of the host galaxy based on a very small number (usually one) of sight lines would be precarious. Utilizing high-z GRBs to probe the ISM and intergalactic medium should be undertaken properly, taking into consideration the physical diversities of the ISM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Investigating nearby star-forming galaxies in the ultraviolet with HST/COS spectroscopy. I. Spectral analysis and interstellar abundance determinations

This is the first in a series of three papers describing a project with the Cosmic Origins Spectrograph on the Hubble Space Telescope to measure abundances of the neutral interstellar medium (ISM) in a sample of nine nearby star-forming galaxies. The goal is to assess the (in)homogeneities of the multiphase ISM in galaxies where the bulk of metals can be hidden in the neutral phase, yet the metallicity is inferred from the ionized gas in the H II regions. The sample, spanning a wide range in physical properties, is to date the best suited to investigate the metallicity behavior of the neutral gas at redshift z = 0. ISM absorption lines were detected against the far-ultraviolet spectra of the brightest star-forming region(s) within each galaxy. Here we report on the observations, data reduction, and analysis of these spectra. Column densities were measured by a multicomponent line-profile fitting technique, and neutral-gas abundances were obtained for a wide range of elements. Several caveats were considered, including line saturation, ionization corrections, and dust depletion. Ionization effects were quantified with ad hoc CLOUDY models reproducing the complex photoionization structure of the ionized and neutral gas surrounding the UV-bright sources. An 'average spectrum of a redshift z = 0 star-forming galaxy' was obtained from the average column densities of unsaturated profiles of neutral-gas species. This template can be used as a powerful tool for studies of the neutral ISM at both low and high redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Quantum chemical rovibrational data for the interstellar detection of c-C{sub 3}H{sup -}

The anion chemistry of the interstellar medium (ISM) has almost exclusively been limited to linear hydrocarbons and cyanocarbons. Of the hydrocarbons, only the even n C {sub n}H{sup –} chains have been detected in the ISM, and lines hypothesized to originate with b-C{sub 3}H{sup –} have been conclusively linked to the corresponding cation, as originally claimed. However, no reason has yet been provided as to why other anions cannot form, and the cyclic form of C{sub 3}H{sup –} is actually the lowest-energy isomer on the anion's potential energy surface. As such, this work provides the necessary rovibrational reference data for the potential detection of this anion in the ISM or related laboratory experiments. Improvements over previously calculated rovibrational spectroscopic constants are contained herein along with graphical depictions of the pure rotational spectra at 100 K, 40 K, 20 K, and 2.7 K.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

OPTICALLY THICK H I DOMINANT IN THE LOCAL INTERSTELLAR MEDIUM: AN ALTERNATIVE INTERPRETATION TO ''DARK GAS''

Dark gas in the interstellar medium (ISM) is believed to not be detectable either in CO or H I radio emission, but it is detectable by other means including γ rays, dust emission, and extinction traced outside the Galactic plane at |b| > 5°. In these analyses, the 21 cm H I emission is usually assumed to be completely optically thin. We have reanalyzed the H I emission from the whole sky at |b| > 15° by considering temperature stratification in the ISM inferred from the Planck/IRAS analysis of the dust properties. The results indicate that the H I emission is saturated with an optical depth ranging from 0.5 to 3 for 85% of the local H I gas. This optically thick H I is characterized by spin temperature in the range 10 K-60 K, significantly lower than previously postulated in the literature, whereas such low temperature is consistent with emission/absorption measurements of the cool H I toward radio continuum sources. The distribution and the column density of the H I are consistent with those of the dark gas suggested by γ rays, and it is possible that the dark gas in the Galaxy is dominated by optically thick cold H I gas. This result implies that the average density of H I is 2-2.5 times higher than that derived on the optically thin assumption in the local ISM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

ISMabs: A COMPREHENSIVE X-RAY ABSORPTION MODEL FOR THE INTERSTELLAR MEDIUM

We present an X-ray absorption model for the interstellar medium, to be referred to as ISMabs, that takes into account both neutral and ionized species of cosmically abundant elements, and includes the most accurate atomic data available. Using high-resolution spectra from eight X-ray binaries obtained with the Chandra High Energy Transmission Grating Spectrometer, we proceed to benchmark the atomic data in the model particularly in the neon K-edge region. Compared with previous photoabsorption models, which solely rely on neutral species, the inclusion of ions leads to improved spectral fits. Fit parameters comprise the column densities of abundant contributors that allow direct estimates of the ionization states. ISMabs is provided in the appropriate format to be implemented in widely used X-ray spectral fitting packages such as XSPEC, ISIS, and SHERPA.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

PROBING THE LOCAL BUBBLE WITH DIFFUSE INTERSTELLAR BANDS. II. THE DIB PROPERTIES IN THE NORTHERN HEMISPHERE

We present a new high signal-to-noise ratio spectroscopic survey of the Northern hemisphere to probe the Local Bubble and its surroundings using the λ5780 Å and λ5797 Å diffuse interstellar bands (DIBs). We observed 432 sightlines to a distance of 200 pc over a duration of three years. In this study, we establish the λ5780 and λ5797 correlations with Na I, Ca II and E {sub B-V}, for both inside and outside the Local Bubble. The correlations show that among all neutral and ionized atoms, the correlation between Ca II and λ5780 is stronger than its correlation with λ5797, suggesting that λ5780 is more associated with regions where Ca{sup +} is more abundant. We study the λ5780 correlation with λ5797, which shows a tight correlation within and outside the Local Bubble. In addition, we investigate the DIB properties in UV irradiated and UV shielded regions. We find that, within and beyond the Local Bubble, λ5797 is located in denser parts of clouds, protected from UV irradiation, while λ5780 is located in the low-density regions of clouds.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Star formation and the interstellar medium in z>6 UV-luminous Lyman-break galaxies

We present Atacama Large Millimeter Array (ALMA) detections of atomic carbon line and dust continuum emission in two UV-luminous galaxies at redshift 6. The far-infrared (far-IR) luminosities of these galaxies are substantially lower than similar starbursts at later cosmic epochs, indicating an evolution in the dust properties with redshift, in agreement with the evolution seen in ultraviolet (UV) attenuation by dust. The [C ii] to FIR ratios are found to be higher than at low redshift showing that [C ii] should be readily detectable by ALMA within the reionization epoch. One of the two galaxies shows a complex merger nature with the less massive component dominating the UV emission and the more massive component dominating the FIR line and continuum. Using the interstellar atomic carbon line to derive the systemic redshifts we investigate the velocity of Lyα emission emerging from high-z galaxies. In contrast to previous work, we find no evidence for decreasing Lyα velocity shifts at high-redshift. We observe an increase in velocity shifts from z≈2 to z≈6, consistent with the effects of increased intergalactic medium absorption.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Methyl acetate and its singly deuterated isotopomers in the interstellar medium

Methyl acetate (CH{sub 3}COOCH{sub 3}) has been recently observed by the IRAM 30 m radio telescope in Orion, though the presence of its deuterated isotopomers is yet to be confirmed. We therefore study the properties of various forms of methyl acetate, namely, CH{sub 3}COOCH{sub 3}, CH{sub 2}DCOOCH{sub 3}, and CH{sub 3}COOCH{sub 2}D. Our simulation reveals that these species could be produced efficiently in both gas and ice phases. Production of methyl acetate could follow radical–radical reaction between acetyl (CH{sub 3}CO) and methoxy (CH{sub 3}O) radicals. To predict abundances of CH{sub 3}COOCH{sub 3} along with its two singly deuterated isotopomers and its two isomers (ethyl formate and hydroxyacetone), we prepare a gas–grain chemical network to study the chemical evolution of these molecules. Since gas-phase rate coefficients for methyl acetate and its related species are unknown, either we consider similar rate coefficients for similar types of reactions (by following existing databases) or we carry out quantum chemical calculations to estimate the unknown rate coefficients. For the surface reactions, we use adsorption energies of reactants from some earlier studies. Moreover, we perform quantum chemical calculations to obtain spectral properties of methyl acetate in infrared and sub-millimeter regions. We prepare two catalog files for the rotational transitions of CH{sub 2}DCOOCH{sub 3} and CH{sub 3}COOCH{sub 2}D in JPL format, which could be useful for their detection in regions of interstellar media where CH{sub 3}COOCH{sub 3} has already been observed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

SIXTEEN YEARS OF ULYSSES INTERSTELLAR DUST MEASUREMENTS IN THE SOLAR SYSTEM. II. FLUCTUATIONS IN THE DUST FLOW FROM THE DATA

The Ulysses spacecraft provided the first opportunity to identify and study interstellar dust (ISD) in situ in the solar system between 1992 and 2007. Here we present the first comprehensive analysis of the ISD component in the entire Ulysses dust data set. We analyzed several parameters of the ISD flow in a time-resolved fashion: flux, flow direction, mass index, and flow width. The general picture is in agreement with a time-dependent focusing/defocusing of the charged dust particles due to long-term variations of the solar magnetic field throughout a solar magnetic cycle of 22 years. In addition, we confirm a shift in dust direction of 50° ± 7° in 2005, along with a steep, size-dependent increase in flux by a factor of 4 within 8 months. To date, this is difficult to interpret and has to be examined in more detail by new dynamical simulations. This work is part of a series of three papers. This paper concentrates on the time-dependent flux and direction of the ISD. In a companion paper we analyze the overall mass distribution of the ISD measured by Ulysses, and a third paper discusses the results of modeling the flow of the ISD as seen by Ulysses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

CONNECTION BETWEEN THE CIRCUMGALACTIC MEDIUM AND THE INTERSTELLAR MEDIUM OF GALAXIES: RESULTS FROM THE COS-GASS SURVEY

We present a study exploring the nature and properties of the circumgalactic medium (CGM) and its connection to the atomic gas content in the interstellar medium (ISM) of galaxies as traced by the H i 21 cm line. Our sample includes 45 low-z (0.026–0.049) galaxies from the GALEX Arecibo SDSS Survey (Galaxy Evolution Explorer/Arecibo/Sloan Digital Sky Survey). Their CGM was probed via absorption in the spectra of background quasi-stellar objects at impact parameters of 63–231 kpc. The spectra were obtained with the Cosmic Origins Spectrograph aboard the Hubble Space Telescope. We detected neutral hydrogen (Lyα absorption lines) in the CGM of 92% of the galaxies. We find that the radial profile of the CGM as traced by the Lyα equivalent width can be fit as an exponential with a scale length of roughly the virial radius of the dark matter halo. We found no correlation between the orientation of the sightline relative to the galaxy’s major axis and the Lyα equivalent width. The velocity spread of the circumgalactic gas is consistent with that seen in the atomic gas in the ISM. We find a strong correlation (99.8% confidence) between the gas fraction (M(H i)/M{sub ⋆}) and the impact-parameter-corrected Lyα equivalent width. This is stronger than the analogous correlation between corrected Lyα equivalent width and specific star formation rate (SFR)/M{sub ⋆} (97.5% confidence). These results imply a physical connection between the H i disk and the CGM, which is on scales an order of magnitude larger. This is consistent with the picture in which the H i disk is nourished by accretion of gas from the CGM.

79 ASTRONOMY AND ASTROPHYSICS↗