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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Ionization photophysics and spectroscopy of dicyanoacetylene

Photoionization of dicyanoacetylene was studied using synchrotron radiation over the excitation range 8–25 eV, with photoelectron-photoion coincidence techniques. The absolute ionization cross-section and detailed spectroscopic aspects of the parent ion were recorded. The adiabatic ionization energy of dicyanoacetylene was measured as 11.80 ± 0.01 eV. A detailed analysis of the cation spectroscopy involves new aspects and new assignments of the vibrational components to excitation of the quasi-degenerate A{sup 2}Π{sub g}, B{sup 2}Σ{sub g}{sup +} states as well as the C{sup 2}Σ{sub u}{sup +} and D{sup 2}Π{sub u} states of the cation. Some of the structured autoionization features observed in the 12.4–15 eV region of the total ion yield spectrum were assigned to vibrational components of valence shell transitions and to two previously unknown Rydberg series converging to the D{sup 2}Π{sub u} state of C{sub 4}N{sub 2}{sup +}. The appearance energies of the fragment ions C{sub 4}N{sup +}, C{sub 3}N{sup +}, C{sub 4}{sup +}, C{sub 2}N{sup +}, and C{sub 2}{sup +} were measured and their heats of formation were determined and compared with existing literature values. Thermochemical calculations of the appearance potentials of these and other weaker ions were used to infer aspects of dissociative ionization pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Off-resonance photoemission dynamics studied by recoil frame F1s and C1s photoelectron angular distributions of CH{sub 3}F

F1s and C1s photoelectron angular distributions are considered for CH{sub 3}F, a molecule which does not support any shape resonance. In spite of the absence of features in the photoionization cross section profile, the recoil frame photoelectron angular distributions (RFPADs) exhibits dramatic changes depending on both the photoelectron energy and polarization geometry. Time-dependent density functional theory calculations are also given to rationalize the photoionization dynamics. The RFPADs have been compared with the theoretical calculations, in order to assess the accuracy of the theoretical method and rationalize the experimental findings. The effect of finite acceptance angles for both ionic fragments and photoelectrons has been included in the calculations, as well as the effect of rotational averaging around the fragmentation axis. Excellent agreement between theory and experiment is obtained, confirming the good quality of the calculated dynamical quantities (dipole moments and phase shifts)

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Graphics processing unit accelerated three-dimensional model for the simulation of pulsed low-temperature plasmas

A 3-dimensional particle-in-cell/Monte Carlo collision simulation that is fully implemented on a graphics processing unit (GPU) is described and used to determine low-temperature plasma characteristics at high reduced electric field, E/n, in nitrogen gas. Details of implementation on the GPU using the NVIDIA Compute Unified Device Architecture framework are discussed with respect to efficient code execution. The software is capable of tracking around 10 × 10{sup 6} particles with dynamic weighting and a total mesh size larger than 10{sup 8} cells. Verification of the simulation is performed by comparing the electron energy distribution function and plasma transport parameters to known Boltzmann Equation (BE) solvers. Under the assumption of a uniform electric field and neglecting the build-up of positive ion space charge, the simulation agrees well with the BE solvers. The model is utilized to calculate plasma characteristics of a pulsed, parallel plate discharge. A photoionization model provides the simulation with additional electrons after the initial seeded electron density has drifted towards the anode. Comparison of the performance benefits between the GPU-implementation versus a CPU-implementation is considered, and a speed-up factor of 13 for a 3D relaxation Poisson solver is obtained. Furthermore, a factor 60 speed-up is realized for parallelization of the electron processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Synchrotron-based double imaging photoelectron/photoion coincidence spectroscopy of radicals produced in a flow tube: OH and OD

We present a microwave discharge flow tube coupled with a double imaging electron/ion coincidence device and vacuum ultraviolet (VUV) synchrotron radiation. The system has been applied to the study of the photoelectron spectroscopy of the well-known radicals OH and OD. The coincidence imaging scheme provides a high selectivity and yields the spectra of the pure radicals, removing the ever-present contributions from excess reactants, background, or secondary products, and therefore obviating the need for a prior knowledge of all possible byproducts. The photoelectron spectra encompassing the X{sup 3}Σ{sup −} ground state of the OH{sup +} and OD{sup +} cations have been extracted and the vibrational constants compared satisfactorily to existing literature values. Future advantages of this approach include measurement of high resolution VUV spectroscopy of radicals, their absolute photoionization cross section, and species/isomer identification in chemical reactions as a function of time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Dynamics of solvation and desolvation of rubidium attached to He nanodroplets

The real-time dynamics of photoexcited and photoionized rubidium (Rb) atoms attached to helium (He) nanodroplets is studied by femtosecond pump-probe mass spectrometry. While excited Rb atoms in the perturbed 6p-state (Rb{sup *}) desorb off the He droplets, Rb{sup +} photoions tend to sink into the droplet interior when created near the droplet surface. The transition from Rb{sup +} solvation to full Rb{sup *} desorption is found to occur at a delay time τ ∼ 600 fs for Rb{sup *} in the 6pΣ-state and τ ∼ 1200 fs for the 6pΠ-state. Rb{sup +}He ions are found to be created by directly exciting bound Rb{sup *}He exciplex states as well as by populating bound Rb{sup +}He-states in a photoassociative ionization process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Involvement of a low-lying Rydberg state in the ultrafast relaxation dynamics of ethylene

We present a measurement of the time-resolved photoelectron kinetic energy spectrum of ethylene using 156 nm and 260 nm laser pulses. The 156 nm pulse first excites ethylene to the {sup 1}B{sub 1u} (ππ{sup ∗}) electronic state where 260 nm light photoionizes the system to probe the relaxation dynamics with sub-30 fs resolution. Recent ab initio calculations by Mori et al. [J. Phys. Chem. A 116, 2808-2818 (2012)] have predicted an ultrafast population transfer from the initially excited state to a low-lying Rydberg state during the relaxation of photoexcited ethylene. The measured photoelectron kinetic energy spectrum reveals wave packet motion on the valence state and shows indications that the low-lying π3s Rydberg state is indeed transiently populated via internal conversion following excitation to the ππ{sup ∗} state, supporting the theoretical predictions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Photoionisation study of Xe.CF{sub 4} and Kr.CF{sub 4} van-der-Waals molecules

We report on photoionization studies of Xe.CF{sub 4} and Kr.CF{sub 4} van-der-Waals complexes produced in a supersonic expansion and detected using synchrotron radiation and photoelectron-photoion coincidence techniques. The ionization potential of CF{sub 4} is larger than those of the Xe and Kr atoms and the ground state of the Rg.CF{sub 4}{sup +} ion correlates with Rg{sup +} ({sup 2}P{sub 3/2}) + CF{sub 4}. The onset of the Rg.CF{sub 4}{sup +} signals was found to be only ∼0.2 eV below the Rg ionization potential. In agreement with experiment, complementary ab initio calculations show that vertical transitions originating from the potential minimum of the ground state of Rg.CF{sub 4} terminate at a part of the potential energy surfaces of Rg.CF{sub 4}{sup +}, which are approximately 0.05 eV below the Rg{sup +} ({sup 2}P{sub 3/2}) + CF{sub 4} dissociation limit. In contrast to the neutral complexes, which are most stable in the face geometry, for the Rg.CF{sub 4}{sup +} ions, the calculations show that the minimum of the potential energy surface is in the vertex geometry. Experiments which have been performed only with Xe.CF{sub 4} revealed no Xe.CF{sub 4}{sup +} signal above the first ionization threshold of Xe, suggesting that the Rg.CF{sub 4}{sup +} ions are not stable above the first dissociation limit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Looking at the bigger picture: Identifying the photoproducts of pyruvic acid at 193 nm

Here, photodissociation of pyruvic acid (PA) was studied in the gas-phase at 193 nm using two complementary techniques. The time-sliced velocity map imaging arrangement was used to determine kinetic energy release distributions of fragments and estimate dissociation timescales. The multiplexed photoionization mass spectrometer setup was used to identify and quantify photoproducts, including isomers and free radicals, by their mass-to-charge ratios, photoionization spectra, and kinetic time profiles. Using these two techniques, it is possible to observe the major dissociation products of PA photodissociation: CO 2 , CO, H, OH, HCO, CH 2 CO, CH 3 CO, and CH 3 . Acetaldehyde and vinyl alcohol are minor primary photoproducts at 193 nm, but products that are known to arise from their unimolecular dissociation, such as HCO, H 2 CO, and CH 4 , are identified and quantified. A multivariate analysis that takes into account the yields of the observed products and assumes a set of feasible primary dissociation reactions provides a reasonable description of the photoinitiated chemistry of PA despite the necessary simplifications caused by the complexity of the dissociation. These experiments offer the first comprehensive description of the dissociation pathways of PA initiated on the S 3 excited state. Most of the observed products and yields are rationalized on the basis of three reaction mechanisms: (i) decarboxylation terminating in CO 2 + other primary products (~50%); (ii) Norrish type I dissociation typical of carbonyls (~30%); and (iii) O—H and C—H bond fission reactions generating the H atom (~10%). The analysis shows that most of the dissociation reactions create more than two products. This observation is not surprising considering the high excitation energy (~51 800 cm –1 ) and fairly low energy required for dissociation of PA. We find that two-body fragmentation processes yielding CO 2 are minor, and the expected, unstable primary co-fragment, methylhydroxycarbene, is not observed because it probably undergoes fast secondary dissociation and/or isomerization. Norrish type I dissociation pathways generate OH and only small yields of CH 3 CO and HOCO, which have low dissociation energies and further decompose via three-body fragmentation processes. Experiments with d 1 -PA (CH 3 COCOOD) support the interpretations. The dissociation on S 3 is fast, as indicated by the products’ recoil angular anisotropy, but the roles of internal conversion and intersystem crossing to lower states are yet to be determined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Ionization wave propagation in a He plasma jet in a controlled gas environment

Characterizing ionization wave propagation in low temperature plasma jets is critical to predicting production of reactive species and plasma–surface interactions for biomedical applications and surface functionalization. In this work, results from optical emission and laser induced fluorescence measurements of the ionization wave in a He plasma jet operating in a controlled gas environment are discussed and used for comparison with numerical modeling. Additionally, the ionization wave was observed using ICCD (Intensified Charge Coupled Device) imaging and characterized by time and spatially resolved electron density measurements using laser-collision-induced fluorescence. The plasma jet was initially characterized using pure He (nominally at 200 Torr), while varying pressure and voltage. When operating in pure He, the ionization wave broadly expands exiting the plasma tube. Increasing the operating pressure reduces the speed and isotropic expansion of the ionization wave. Furthermore, the jet operated with a humid He shroud was also studied. The humid He shroud results in the electron density increasing and having an annular profile due to the lower ionization potential of H2O compared to He and localized photoionization in the mixing region. Numerical modeling highlighted the importance of resonance radiation emitted by excited states of He, photoelectron emission from the quartz tube, and the kinetic behavior of the electrons produced by photoionization ahead of the ionization front.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

SHOCKED SUPERWINDS FROM THE z {approx} 2 CLUMPY STAR-FORMING GALAXY, ZC406690

We have obtained high-resolution data of the z {approx} 2 ring-like, clumpy star-forming galaxy (SFG) ZC406690 using the VLT/SINFONI with adaptive optics (in K band) and in seeing-limited mode (in H and J bands). Our data include all of the main strong optical emission lines: [O II], [O III], H{alpha}, H{beta}, [N II], and [S II]. We find broad, blueshifted H{alpha} and [O III] emission line wings in the spectra of the galaxy's massive, star-forming clumps ({sigma} {approx} 85 km s{sup -1}) and even broader wings (up to 70% of the total H{alpha} flux, with {sigma} {approx} 290 km s{sup -1}) in regions spatially offset from the clumps by {approx}2 kpc. The broad emission likely originates from large-scale outflows with mass outflow rates from individual clumps that are 1-8 Multiplication-Sign the star formation rate (SFR) of the clumps. Based on emission line ratio diagnostics ([N II]/H{alpha} and [S II]/H{alpha}) and photoionization and shock models, we find that the emission from the clumps is due to a combination of photoionization from the star-forming regions and shocks generated in the outflowing component, with 5%-30% of the emission deriving from shocks. In terms of the ionization parameter (6 Multiplication-Sign 10{sup 7} to 10{sup 8} cm s{sup -1}, based on both the SFR and the O{sub 32} ratio), density (local electron densities of 300-1800 cm{sup -3} in and around the clumps, and ionized gas column densities of 1200-8000 M{sub Sun }pc{sup -2}), and SFR (10-40 M{sub Sun} yr{sup -1}), these clumps more closely resemble nuclear starburst regions of local ultraluminous infrared galaxies and dwarf irregulars than H II regions in local galaxies. However, the star-forming clumps are not located in the nucleus as in local starburst galaxies but instead are situated in a ring several kpc from the center of their high-redshift host galaxy, and have an overall disk-like morphology. The two brightest clumps are quite different in terms of their internal properties, energetics, and relative ages, and thus we are given a glimpse at two different stages in the formation and evolution of rapidly star-forming giant clumps at high-z.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

SIMULATIONS OF HIGH-VELOCITY CLOUDS. II. ABLATION FROM HIGH-VELOCITY CLOUDS AS A SOURCE OF LOW-VELOCITY HIGH IONS

In order to determine if the material ablated from high-velocity clouds (HVCs) is a significant source of low-velocity high ions (C IV, N V, and O VI) such as those found in the Galactic halo, we simulate the hydrodynamics of the gas and the time-dependent ionization evolution of its carbon, nitrogen, and oxygen ions. Our suite of simulations examines the ablation of warm material from clouds of various sizes, densities, and velocities as they pass through the hot Galactic halo. The ablated material mixes with the environmental gas, producing an intermediate-temperature mixture that is rich in high ions and that slows to the speed of the surrounding gas. We find that the slow mixed material is a significant source of the low-velocity O VI that is observed in the halo, as it can account for at least {approx}1/3 of the observed O VI column density. Hence, any complete model of the high ions in the halo should include the contribution to the O VI from ablated HVC material. However, such material is unlikely to be a major source of the observed C IV, presumably because the observed C IV is affected by photoionization, which our models do not include. We discuss a composite model that includes contributions from HVCs, supernova remnants, a cooling Galactic fountain, and photoionization by an external radiation field. By design, this model matches the observed O VI column density. This model can also account for most or all of the observed C IV, but only half of the observed N V.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

THE PROPERTIES OF TWO LOW-REDSHIFT O VI ABSORBERS AND THEIR ASSOCIATED GALAXIES TOWARD 3C 263 ,

Ultraviolet observations of the QSO 3C 263 (z{sub em} = 0.652) with Cosmic Origins Spectrograph and FUSE reveal O VI absorption systems at z = 0.06342 and 0.14072. WIYN multi-object spectrograph observations provide information about the galaxies associated with the absorbers. The multi-phase system at z = 0.06342 traces cool photoionized gas and warm collisionally ionized gas associated with an L {approx} 0.31 L* compact spiral emission line galaxy with an impact parameter of 63 kpc. The cool photoionized gas in the absorber is well modeled, with log U {approx} -2.6, log N(H) {approx} 17.8, log n(H) {approx} -3.3 and [Si/H] = -0.14 {+-} 0.23. The collisionally ionized gas containing C IV and O VI probably arises in cooling shock-heated transition temperature gas with log T {approx} 5.5. The absorber is likely tracing circumgalactic gas enriched by gas ejected from the spiral emission line galaxy. The simple system at z = 0.14072 only contains O VI and broad and narrow H I. The O VI with b = 33.4 {+-} 11.9 km s{sup -1} is likely associated with the broad H I {lambda}1215 absorption, with b = 86.7 {+-} 15.4 km s{sup -1}. The difference in Doppler parameters implies the detection of a very large column of warm gas with log T = 5.61(+0.16, -0.25), log N(H) = 19.54(+0.26, -0.44), and [O/H] = -1.48 (+0.46, -0.26). This absorber is possibly associated with a 1.6 L* absorption line galaxy with an impact parameter of 617 kpc, although an origin in warm filament gas or in the halo of a fainter galaxy is more likely.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

THE OPTICAL DEPTH OF H II REGIONS IN THE MAGELLANIC CLOUDS

We exploit ionization-parameter mapping (IPM) as a powerful tool to measure the optical depth of star-forming H II regions. Our simulations using the photoionization code CLOUDY and our new, SURFBRIGHT surface-brightness simulator demonstrate that this technique can directly diagnose most density-bounded, optically thin nebulae using spatially resolved emission-line data. We apply this method to the Large and Small Magellanic Clouds (LMC and SMC), using the data from the Magellanic Clouds Emission Line Survey. We generate new H II region catalogs based on photoionization criteria set by the observed ionization structure in the [S II]/[O III] ratio and H{alpha} surface brightness. The luminosity functions from these catalogs generally agree with those from H{alpha}-only surveys. We then use IPM to crudely classify all the nebulae into optically thick versus optically thin categories, yielding fundamental new insights into Lyman-continuum (LyC) radiation transfer. We find that in both galaxies, the frequency of optically thin objects correlates with H{alpha} luminosity, and that the numbers of these objects dominate above log L/(erg s{sup -1}) {>=} 37.0. The frequencies of optically thin objects are 40% and 33% in the LMC and SMC, respectively. Similarly, the frequency of optically thick regions correlates with H I column density, with optically thin objects dominating at the lowest N(H I). The integrated escape luminosity of ionizing radiation is dominated by the largest regions and corresponds to luminosity-weighted, ionizing escape fractions from the H II region population of {>=}0.42 and {>=}0.40 in the LMC and SMC, respectively. These values correspond to global galactic escape fractions of 4% and 11%, respectively. This is sufficient to power the ionization rate of the observed diffuse ionized gas in both galaxies. Since our optical depth estimates tend to be underestimates, and also omit the contribution from field stars without nebulae, our results suggest the possibility of significant galactic escape fractions of LyC radiation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

BROAD-LINE REGION PHYSICAL CONDITIONS IN EXTREME POPULATION A QUASARS: A METHOD TO ESTIMATE CENTRAL BLACK HOLE MASS AT HIGH REDSHIFT

We describe a method for estimating physical conditions in the broad-line region (BLR) for a significant subsample of Seyfert 1 nuclei and quasars. Several diagnostic ratios based on intermediate (Al III {lambda}1860, Si III] {lambda}1892) and high (C IV {lambda}1549, Si IV {lambda}1397) ionization lines in the UV spectra of quasars are used to constrain density, ionization, and metallicity of the emitting gas. We apply the method to two extreme Population A quasars-the prototypical NLSy1 I Zw 1 and higher z source SDSS J120144.36+011611.6. Under assumptions of spherical symmetry and pure photoionization we infer BLR physical conditions: low ionization (ionization parameter <10{sup -2}), high density (10{sup 12}-10{sup 13} cm{sup -3}), and significant metal enrichment. Ionization parameter and density can be derived independently for each source with an uncertainty that is less than {+-}0.3 dex. We use the product of density and ionization parameter to estimate the BLR radius and derive an estimation of the virial black hole mass (M{sub BH}). Estimates of M{sub BH} based on the 'photoionization' analysis described in this paper are probably more accurate than those derived from the mass-luminosity correlations widely employed to compute black hole masses for high-redshift quasars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ON THE ORIGINS OF THE DIFFUSE H{alpha} EMISSION: IONIZED GAS OR DUST-SCATTERED H{alpha} HALOS?

It is known that the diffuse H{alpha} emission outside of bright H II regions not only are very extended, but also can occur in distinct patches or filaments far from H II regions, and the line ratios of [S II] {lambda}6716/H{alpha} and [N II] {lambda}6583/H{alpha} observed far from bright H II regions are generally higher than those in the H II regions. These observations have been regarded as evidence against the dust-scattering origin of the diffuse H{alpha} emission (including other optical lines), and the effect of dust scattering has been neglected in studies on the diffuse H{alpha} emission. In this paper, we reexamine the arguments against dust scattering and find that the dust-scattering origin of the diffuse H{alpha} emission cannot be ruled out. As opposed to the previous contention, the expected dust-scattered H{alpha} halos surrounding H II regions are, in fact, in good agreement with the observed H{alpha} morphology. We calculate an extensive set of photoionization models by varying elemental abundances, ionizing stellar types, and clumpiness of the interstellar medium (ISM) and find that the observed line ratios of [S II]/H{alpha}, [N II]/H{alpha}, and He I {lambda}5876/H{alpha} in the diffuse ISM accord well with the dust-scattered halos around H II regions, which are photoionized by late O- and/or early B-type stars. We also demonstrate that the H{alpha} absorption feature in the underlying continuum from the dust-scattered starlight ({sup d}iffuse galactic light{sup )} and unresolved stars is able to substantially increase the [S II]/H{alpha} and [N II]/H{alpha} line ratios in the diffuse ISM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

SEARCHING FOR INTERSTELLAR MOLECULE BUTATRIENYLIDENE IN REACTION C{sub 2} + C{sub 2}H{sub 4}

We investigated the reaction C{sub 2}(X {sup 1}{Sigma}{sup +} {sub g}/a {sup 3}{Pi} {sub u}) + C{sub 2}H{sub 4} at collision energy 5.0 kcal mol{sup -1} in a crossed molecular-beam apparatus using selective photoionization. Time-of-flight and photoionization spectra of products C{sub 4}H{sub 3} and C{sub 4}H{sub 2} were measured. From the best simulation of product time-of-flight spectra, a low-energy-biased translational-energy distribution and an isotropic angular distribution are derived for product channels C{sub 4}H{sub 3} + H and C{sub 4}H{sub 2} + H{sub 2} that have average translational-energy releases of 11 and 20 kcal mol{sup -1}, respectively. Product C{sub 4}H{sub 3} is identified as H{sub 2}CCCCH because its ionization threshold 8.0 {+-} 0.2 eV and maximal translational-energy release 42 kcal mol{sup -1} coincide with that of product channel H{sub 2}CCCCH + H. H{sub 2}CCCC (butatrienylidene) and HCCCCH (diacetylene) might have contributions to product C{sub 4}H{sub 2}; both isomers have ionization energies near the measured ionization threshold 10.0 {+-} 0.2 eV and the maximal translational-energy release 62 kcal mol{sup -1} is within the energetic limits of both isomeric product channels. Nonetheless, channel H{sub 2}CCCC + H{sub 2} is suggested to be more dominant than channel HCCCCH + H{sub 2} because the maximal translational-energy release is in good agreement with the available energy of the former channel and the former channel is 3.8 times the branching ratio of the later channel predicted by Rice-Ramsperger-Kassel-Marcus calculations. C{sub 4}H{sub 2} is identified for the first time in the barrierless reaction C{sub 2} + C{sub 2}H{sub 4} which has never been considered in any astronomical chemical networks. This work sheds new light on the formation of butatrienylidene/diacetylene in cold interstellar media where C{sub 2} and C{sub 2}H{sub 4} are abundant.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2012

INFRARED STUDY OF FULLERENE PLANETARY NEBULAE

We present a study of 16 planetary nebulae (PNe) where fullerenes have been detected in their Spitzer Space Telescope spectra. This large sample of objects offers a unique opportunity to test conditions of fullerene formation and survival under different metallicity environments because we are analyzing five sources in our own Galaxy, four in the Large Magellanic Cloud (LMC), and seven in the Small Magellanic Cloud (SMC). Among the 16 PNe studied, we present the first detection of C{sub 60} (and possibly also C{sub 70}) fullerenes in the PN M 1-60 as well as of the unusual {approx}6.6, 9.8, and 20 {mu}m features (attributed to possible planar C{sub 24}) in the PN K 3-54. Although selection effects in the original samples of PNe observed with Spitzer may play a potentially significant role in the statistics, we find that the detection rate of fullerenes in C-rich PNe increases with decreasing metallicity ({approx}5% in the Galaxy, {approx}20% in the LMC, and {approx}44% in the SMC) and we interpret this as a possible consequence of the limited dust processing occurring in Magellanic Cloud (MC) PNe. CLOUDY photoionization modeling matches the observed IR fluxes with central stars that display a rather narrow range in effective temperature ({approx}30,000-45,000 K), suggesting a common evolutionary status of the objects and similar fullerene formation conditions. Furthermore, the data suggest that fullerene PNe likely evolve from low-mass progenitors and are usually of low excitation. We do not find a metallicity dependence on the estimated fullerene abundances. The observed C{sub 60} intensity ratios in the Galactic sources confirm our previous finding in the MCs that the fullerene emission is not excited by the UV radiation from the central star. CLOUDY models also show that line- and wind-blanketed model atmospheres can explain many of the observed [Ne III]/[Ne II] ratios using photoionization, suggesting that possibly the UV radiation from the central star, and not shocks, is triggering the decomposition of the circumstellar dust grains. With the data at hand, we suggest that the most likely explanation for the formation of fullerenes and graphene precursors in PNe is that these molecular species are built from the photochemical processing of a carbonaceous compound with a mixture of aromatic and aliphatic structures similar to that of hydrogenated amorphous carbon dust.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE KINEMATICS AND IONIZATION OF NUCLEAR GAS CLOUDS IN CENTAURUS A

Neumayer et al. established the existence of a blueshifted cloud in the core of Centaurus A, within a few parsecs of the nucleus and close to the radio jet. We propose that the cloud has been impacted by the jet, and that it is in the foreground of the jet, accounting for its blueshifted emission on the southern side of the nucleus. We consider both shock excitation and photoionization models for the excitation of the cloud. Shock models do not account for the [Si VI] and [Ca VIII] emission line fluxes. However, X-ray observations indicate a source of ionizing photons in the core of Centaurus A; photoionization by the inferred flux incident on the cloud can account for the fluxes in these lines relative to Brackett-{gamma}. The power-law slope of the ionizing continuum matches that inferred from synchrotron models of the X-rays. The logarithm of the ionization parameter is -1.9, typical of that in Seyfert galaxies and consistent with the value proposed for dusty ionized plasmas. The model cloud density depends upon the Lorentz factor of the blazar and the inclination of our line of sight to the jet axis. For acute inclinations, the inferred density is consistent with expected cloud densities. However, for moderate inclinations of the jet to the line of sight, high Lorentz factors imply cloud densities in excess of 10{sup 5} cm{sup -3} and very low filling factors, suggesting that models of the gamma-ray emission should incorporate jet Lorentz factors {approx}< 5.

79 ASTRONOMY AND ASTROPHYSICS↗