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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
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

H{sub 2} formation in diffuse clouds: A new kinetic Monte Carlo study

We used the continuous-time random-walk Monte Carlo technique to study anew the formation of H{sub 2} on the surfaces of interstellar dust grains in diffuse interstellar clouds. For our study, we considered three different grain materials, olivine (a polycrystalline silicate), amorphous silicate, and amorphous carbon, as well as a grain temperature that depends on granular size. For some runs, we included temperature fluctuations. Four different granular surfaces were used, one 'flat' with one type of binding site due to physisorption, one 'rough' with five different types of physisorption binding sites due to lateral forces, and two with sites for chemisorption, one in which chemisorption sites are entered through precursor physisorption sites, and one in which chemisorption is direct but occurs with a barrier for the adsorption of the first hydrogen atom. We found that on flat and rough olivine surfaces, molecular hydrogen is formed at low efficiencies, with smaller grains contributing very little despite their large numbers due to high temperatures. For flat amorphous carbon and amorphous silicate surfaces, the efficiency increases, reaching unity for the largest grains. For models with barrierless chemisorption, the efficiency of formation of H{sub 2} is near unity at all grain sizes considered, while for direct chemisorption via a barrier, we found efficiencies of 0.13-0.6 depending upon the barrier, but independent of grain size. Treating the flat olivine and amorphous silicate surfaces with temperature fluctuations increases the efficiency of H{sub 2} formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Low energy neutral atoms from the heliosheath

In the heliosheath beyond the termination shock, low energy (<0.5 keV) neutral atoms are created by charge exchange with interstellar neutrals. Detecting these neutrals from Earth's orbit is difficult because their flux is reduced substantially by ionization losses as they propagate from about 100 to 1 AU and because there are a variety of other signals and backgrounds that compete with this weak signal. Observations from IBEX-Lo and -Hi from two opposing vantage points in Earth's orbit established a lower energy limit of about 0.1 keV on measurements of energetic neutral atoms (ENAs) from the heliosphere and the form of the energy spectrum from about 0.1 to 6 keV in two directions in the sky. Below 0.1 keV, the detailed ENA spectrum is not known, and IBEX provides only upper limits on the fluxes. However, using some assumptions and taking constraints on the spectrum into account, we find indications that the spectrum turns over at an energy between 0.1 and 0.2 keV.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Observational evidence of dust evolution in galactic extinction curves

Although structural and optical properties of hydrogenated amorphous carbons are known to respond to varying physical conditions, most conventional extinction models are basically curve fits with modest predictive power. We compare an evolutionary model of the physical properties of carbonaceous grain mantles with their determination by homogeneously fitting observationally derived Galactic extinction curves with the same physically well-defined dust model. We find that a large sample of observed Galactic extinction curves are compatible with the evolutionary scenario underlying such a model, requiring physical conditions fully consistent with standard density, temperature, radiation field intensity, and average age of diffuse interstellar clouds. Hence, through the study of interstellar extinction we may, in principle, understand the evolutionary history of the diffuse interstellar clouds.

79 ASTRONOMY AND ASTROPHYSICS↗
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

Asteroseismic study on cluster distance moduli for red giant branch stars in NGC 6791 and NGC 6819

Stellar distance is an important basic parameter in stellar astrophysics. Stars in a cluster are thought to be formed coevally from the same interstellar cloud of gas and dust; therefore, they are expected to have common properties. These common properties strengthen our ability to constrain theoretical models and/or to determine fundamental parameters, such as stellar mass, metal fraction, and distance, when tested against an ensemble of cluster stars. Here we derive a new relation based on solar-like oscillations, photometric observations, and the theory of stellar structure and evolution of red giant branch stars to determine cluster distance moduli through the global oscillation parameters Δν and ν{sub max} and photometric data V. The values of Δν and ν{sub max} are derived from Kepler observations. At the same time, it is used to interpret the trends between V and Δν. From the analyses of this newly derived relation and observational data of NGC 6791 and NGC 6819, we devise a method in which all stars in a cluster are regarded as one entity to determine the cluster distance modulus. This approach fully reflects the characteristic of member stars in a cluster as a natural sample. From this method we derive true distance moduli of 13.09 ± 0.10 mag for NGC 6791 and 11.88 ± 0.14 mag for NGC 6819. Additionally, we find that the distance modulus only slightly depends on the metallicity [Fe/H] in the new relation. A change of 0.1 dex in [Fe/H] will lead to a change of 0.06 mag in the distance modulus.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Three-dimensional hydrodynamic simulations of multiphase galactic disks with star formation feedback. II. Synthetic H I 21 cm line observations

We use three-dimensional numerical hydrodynamic simulations of the turbulent, multiphase atomic interstellar medium (ISM) to construct and analyze synthetic H I 21 cm emission and absorption lines. Our analysis provides detailed tests of 21 cm observables as physical diagnostics of the atomic ISM. In particular, we construct (1) the 'observed' spin temperature, T{sub s,obs}(v{sub ch})≡T{sub B}(v{sub ch})/[1−e{sup −τ(v{sub c}{sub h})}], and its optical-depth weighted mean T {sub s,} {sub obs}; (2) the absorption-corrected ''observed'' column density, N{sub H,obs}∝∫dv{sub ch}T{sub B}(v{sub ch})τ(v{sub ch})/[1−e{sup −τ(v{sub c}{sub h})}]; and (3) the 'observed' fraction of cold neutral medium (CNM), f {sub c,} {sub obs} ≡ T{sub c} /T {sub s,} {sub obs} for T{sub c} the CNM temperature; we compare each observed parameter with true values obtained from line-of-sight (LOS) averages in the simulation. Within individual velocity channels, T {sub s,} {sub obs}(v {sub ch}) is within a factor 1.5 of the true value up to τ(v {sub ch}) ∼ 10. As a consequence, N {sub H,} {sub obs} and T{sub s,} {sub obs} are, respectively, within 5% and 12% of the true values for 90% and 99% of LOSs. The optically thin approximation significantly underestimates N {sub H} for τ > 1. Provided that T{sub c} is constrained, an accurate observational estimate of the CNM mass fraction can be obtained down to 20%. We show that T{sub s,} {sub obs} cannot be used to distinguish the relative proportions of warm and thermally unstable atomic gas, although the presence of thermally unstable gas can be discerned from 21 cm lines with 200 K ≲ T{sub s,} {sub obs}(v {sub ch}) ≲ 1000 K. Our mock observations successfully reproduce and explain the observed distribution of the brightness temperature, optical depth, and spin temperature in Roy et al. The threshold column density for CNM seen in observations is also reproduced by our mock observations. We explain this observed threshold behavior in terms of vertical equilibrium in the local Milky Way's ISM disk.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Explanation of the local galactic cosmic ray energy spectra measured by Voyager 1. I. Protons

Almost exactly 100 yr after the original discovery of cosmic rays, the V1 spacecraft has observed, for the first time, the local interstellar medium energy spectra of cosmic ray H, He, C/O nuclei at nonrelativistic kinetic energies, after leaving the heliosphere modulation region on 2012 August 25. We explain these observations by modeling the propagation of these particles in the local Galactic environment with an updated steady-state spatial diffusion model including all particle momentum losses with the local interstellar gas (Coulomb/ionization, pion production, adiabatic deceleration, and fragmentation interactions). Excellent agreement with the V1 cosmic ray H observations is obtained if the solar system resides within a spatially homogeneous layer of distributed cosmic ray sources injecting the same momentum power law ∝p {sup –s} with s = 2.24 ± 0.12. The best fit to the V1 H observations also provides an estimate of the characteristic break kinetic energy T{sub C} = 116 ± 27 MeV, representing the transition from ionization/Coulomb energy losses at low energies to pion production and adiabatic deceleration losses in a Galactic wind at high energies. As the determined value is substantially smaller than 217 MeV in the absence of adiabatic deceleration, our results prove the existence of a Galactic wind in the local Galactic environment.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

First time-dependent study of H{sub 2} and H{sub 3}{sup +} ortho-para chemistry in the diffuse interstellar medium: Observations meet theoretical predictions

The chemistry in the diffuse interstellar medium (ISM) initiates the gradual increase of molecular complexity during the life cycle of matter. A key molecule that enables build-up of new molecular bonds and new molecules via proton donation is H{sub 3}{sup +}. Its evolution is tightly related to molecular hydrogen and thought to be well understood. However, recent observations of ortho and para lines of H{sub 2} and H{sub 3}{sup +} in the diffuse ISM showed a puzzling discrepancy in nuclear spin excitation temperatures and populations between these two key species. H{sub 3}{sup +}, unlike H{sub 2}, seems to be out of thermal equilibrium, contrary to the predictions of modern astrochemical models. We conduct the first time-dependent modeling of the para-fractions of H{sub 2} and H{sub 3}{sup +} in the diffuse ISM and compare our results to a set of line-of-sight observations, including new measurements presented in this study. We isolate a set of key reactions for H{sub 3}{sup +} and find that the destruction of the lowest rotational states of H{sub 3}{sup +} by dissociative recombination largely controls its ortho/para ratio. A plausible agreement with observations cannot be achieved unless a ratio larger than 1:5 for the destruction of (1, 1)- and (1, 0)-states of H{sub 3}{sup +} is assumed. Additionally, an increased cosmic-ray ionization rate to 10{sup –15} s{sup –1} further improves the fit whereas variations of other individual physical parameters, such as density and chemical age, have only a minor effect on the predicted ortho/para ratios. Thus, our study calls for new laboratory measurements of the dissociative recombination rate and branching ratio of the key ion H{sub 3}{sup +} under interstellar conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Strong theoretical support for the assignment of B11244 to l-C{sub 3}H{sup +}

Highly accurate quantum chemical calculations beyond CCSD(T) have been used to study the molecular cation l-C{sub 3}H{sup +} which is the carrier of harmonically related radio lines observed in the Horsehead photodissociation region and toward Sgr B2(N). Excellent agreement with spectroscopic and radioastronomical measurements is obtained for the rotational constant, with the calculated value of B {sub 0} = 11246.4 MHz only 1.5 MHz or 0.01% above the experimental value. The unusually large ratio of centrifugal distortion constants D {sub 0}(exp.)/D{sub e}(theor.) = 1.80 is attributed to the shallow CCC bending potential of l-C{sub 3}H{sup +} and is quantitatively reproduced by variational calculations within a pseudo-triatomic model. A comparative study of centrifugal distortion constants in a series of four linear interstellar molecules (C{sub 3}N{sup –}, C{sub 3}O, l-C{sub 3}H{sup +}, and C{sub 3}) is made and some general conclusions are drawn.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Resolving the origin of the diffuse soft X-ray background

The ubiquitous diffuse soft (1/4 keV) X-ray background was one of the earliest discoveries of X-ray astronomy. At least some of the emission may arise from charge exchange between solar wind ions and neutral atoms in the heliosphere, but no detailed models have been fit to the available data. Here, we report on a new model for charge exchange in the solar wind, which, when combined with a diffuse hot plasma component, filling the Local Cavity provides a good fit to the only available high-resolution soft X-ray and extreme ultraviolet spectra using plausible parameters for the solar wind. The implied hot plasma component is in pressure equilibrium with the local cloud that surrounds the solar system, creating for the first time a self-consistent picture of the local interstellar medium.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Ulysses observations of magnetic waves due to newborn interstellar pickup ions. II. Application of turbulence concepts to limiting wave energy and observability

The low-frequency magnetic waves that arise from the isotropization of newborn interstellar pickup ions (PUIs) are reasonably well described by linear and quasi-linear kinetic theory in so far as those theories predict the wave frequency and polarization in the spacecraft frame. Those theories fail to describe the scarce observability of the waves. Quasilinear theory predicts that the wave power should accumulate over long periods of time as the relatively weak kinetic instability slowly adds power to the observed spectrum. At the same time it has been argued that the same wave energy must serve as a secondary source of thermal ion heating in the outer heliosphere once the initial turbulence is depleted. To the extent that turbulent transport of the wave energy acts against the spectrally confined accumulation of wave energy, turbulence should be a limiting factor in observability. We argue that turbulence does limit the observability of the waves and we use turbulence theory to predict the observed wave energy. We compare this prediction against a database of 502 wave observations attributed to newborn interstellar PUIs observed by the Ulysses spacecraft.

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

A perfect starburst cluster made in one go: The NGC 3603 young cluster

Understanding how distinct, near-spherical gas-free clusters of very young, massive stars shape out of vast, complex clouds of molecular hydrogen is one of the biggest challenges in astrophysics. A popular thought dictates that a single gas cloud fragments into many newborn stars which, in turn, energize and rapidly expel the residual gas to form a gas-free cluster. This study demonstrates that the above classical paradigm remarkably reproduces the well-observed central, young cluster (HD 97950) of the Galactic NGC 3603 star-forming region, in particular, its shape, internal motion, and mass distribution of stars naturally and consistently follow from a single model calculation. Remarkably, the same parameters (star formation efficiency, gas expulsion timescale, and delay) reproduce HD 97950, as were found to reproduce the Orion Nebula Cluster, Pleiades, and R136. The present results therefore provide intriguing evidence of formation of star clusters through single-starburst events followed by significant residual gas expulsion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Interstellar scintillation of the double pulsar J0737–3039

We report a series of observations of the interstellar scintillation (ISS) of the double pulsar J0737–3039 over the course of 18 months. As in earlier work, the basic phenomenon is the variation in the ISS caused by the changing transverse velocities of each pulsar, the ionized interstellar medium (IISM), and the Earth. The transverse velocity of the binary system can be determined both by very long baseline interferometry and timing observations. The orbital velocity and inclination is almost completely determined from timing observations, but the direction of the orbital angular momentum is not known. Since the Earth's velocity is known, and can be compared with the orbital velocity by its effect on the timescale of the ISS, we can determine the orientation Ω of the pulsar orbit with respect to equatorial coordinates (Ω = 65 ± 2°). We also resolve the ambiguity (i = 88.°7 or 91.°3) in the inclination of the orbit deduced from the measured Shapiro delay by our estimate i = 88.°1 ± 0.°5. This relies on the analysis of the ISS over both frequency and time, and provides a model for the location, anisotropy, turbulence level, and transverse phase gradient of the IISM. We find that the IISM can be well-modeled during each observation, typically of a few orbital periods, but its turbulence level and mean velocity vary significantly over the 18 months.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Interstellar protons in the TeV γ-ray SNR HESS J1731-347: Possible evidence for the coexistence of hadronic and leptonic γ-rays

HESS J1731-347 (G353.6-0.7) is one of the TeV γ-ray supernova remnants (SNRs) that shows the shell-like morphology. We have made a new analysis of the interstellar protons toward the SNR by using both the {sup 12}CO(J = 1-0) and H I data sets. The results indicate that the TeV γ-ray shell shows significant spatial correlation with the interstellar protons at a velocity range from –90 km s{sup –1} to –75 km s{sup –1}. The total mass of the interstellar medium (ISM) protons is estimated to be 6.4 × 10{sup 4} M {sub ☉}, 25% of which is atomic gas, and the distance corresponding to the velocity range is ∼5.2 kpc, a factor of 2 larger than the previous figure, 3 kpc. We have identified the cold H I gas observed as self-absorption which shows significant correspondence with the northeastern γ-ray peak. While the good correspondence between the ISM protons and TeV γ-rays in the north of the SNR lends support to the hadronic scenario for the TeV γ-rays, the southern part of the shell shows a break in the correspondence; in particular, the southwestern rim of the SNR shell shows a significant decrease of the interstellar protons by a factor of two. We argue that this discrepancy can be explained due to leptonic γ-rays because this region coincides well with the bright shell that emits non-thermal radio continuum emission and non-thermal X-rays, suggesting that the γ-rays of HESS J1713-347 consist of both the hadronic and leptonic components. The leptonic contribution corresponds to ∼20% of the total γ-rays.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Formation of ketene (H{sub 2}CCO) in interstellar analogous methane (CH{sub 4})-carbon monoxide (CO) ices: A combined FTIR and reflectron time-of-flight mass spectroscopic study

The formation of ketene (H{sub 2}CCO) in methane-carbon monoxide (CH{sub 4}-CO) ices was investigated upon its exposure to ionizing radiation in the form of energetic electrons at 5.5 K. The radiation-induced nonthermal equilibrium processing of these ices was monitored online and in situ via infrared spectroscopy complimented with post-irradiation temperature programmed desorption studies exploiting highly sensitive reflectron time-of-flight mass spectrometry (ReTOF) coupled with single photon fragment-free photo ionization (PI) at 10.49 eV. The detection of ketene in irradiated (isotopically labeled) methane-carbon monoxide ices was confirmed via the ν{sub 2} infrared absorption band and substantiated during the warm-up phase based on sublimation profiles obtained from the ReTOF-PI spectra of the corresponding isotopic masses. The experiments conducted with the mixed isotopic ices of {sup 12}CD{sub 4}-{sup 13}CO provide clear evidence of the formation of at least two ketene isotopomers (D{sub 2} {sup 12}C{sup 13}CO and D{sub 2} {sup 13}C{sup 13}CO), allowing for the derivation of two competing formation pathways. We have also proposed underlying reaction mechanisms to the formation of ketene based on kinetic fitting of the temporal evolution of the ketene isotopomers.

79 ASTRONOMY AND ASTROPHYSICS↗