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NASA NTRS2002

The Evolution of Dust in the Multiphase Interstellar Medium

Interstellar dust has a profound effect on the structure and evolution of the interstellar medium (ISM) and on the processes by which stars form from it. Dust obscures regions of star formation from view, and the uncertain quantities of elements in dust makes it difficult to measure accurately the abundances of the elements in low density regions. Despite the central importance of dust in astrophysics, we cannot answer some of the most basic questions about it: Why is it that most of the refractory elements are in dust grains? What determines the sizes of interstellar grains? In our theoretical investigations we have addressed these questions by studying the destruction of interstellar grains. We describe here the investigations that we have completed to date. As part of our original proposal we proposed additional projects that have not been completed. We are requesting a no-cost extension to carry out those investigations and describe those in our request.

Slavin, J.↗
NASA NTRS2003

The Evolution of Dust in the Multiphase Interstellar Medium

Interstellar dust has a profound effect on the structure and evolution of the interstellar medium (ISM) and on the processes by which stars form from it. Dust obscures regions of star formation from view, and the uncertain quantities of elements in dust makes it difficult to measure accurately the abundances of the elements in low density regions. Despite the central importance of dust in astrophysics, we cannot answer some of the most basic questions about it: Why is it that most of the refractory elements are in dust grains? What determines the sizes of interstellar grains? It has been the goal of our proposed theoretical investigations to address these questions by studying the destruction of interstellar grains, and to develop observational diagnostics that can test the models we develop.

Oliversen, Ronald J.↗
NASA NTRS2009

X-Ray Shadowing Experiments Toward Infrared Dark Clouds

We searched for X-ray shadowing toward two infrared dark clouds (IRDCs) using the MOS detectors on XMM-Newton to learn about the Galactic distribution of X-ray emitting plasma. IRDCs make ideal X-ray shadowing targets of 3/4 keY photons due to their high column densities, relatively large angular sizes, and known kinematic distances. Here we focus on two clouds near 30 deg Galactic longitude at distances of 2 and 5 kpc from the Sun. We derive the foreground and background column densities of molecular and atomic gas in the direction of the clouds. We find that the 3/4 ke V emission must be distributed throughout the Galactic disk. It is therefore linked to the structure of the cooler material of the ISM, and to the birth of stars.

Anderson, L. E.↗
NASA NTRS1989

Superaromatics: The key to a unified cosmic dust theory

The theory of Superaromatics, the key to a unified cosmic dust theory, was constructed by analyzing several thousand astronomical features covering every major aspect of astrophysics and astrochemistry relating to dust. To insure consistency between disciplines, the logical structure of the conclusions in each field was checked rather than accepting the current consensus. No substantial contradictory features are known to the author. The analysis falls into seven major parts: (1) kinetics of grain formation and destruction; (2) optical spectra of the interstellar medium (ISM); (3) meteorite interplanetary dust particle (IPD) chemistry; (4) structure and chemistry of the interstellar medium arising from surface catalysis; (6) dynamics of circumstellar and interstellar dust clouds, including galactic morphology; and (7) the chemistry and physics of previously unidentified compounds. Only tentative conclusions are presented here. The principle conclusion is that quantum mechanics as it is normally formulated is incomplete. The probable cause is that it is formulated with complex numbers rather than the more fundamental quaternion system. The manifestation in astrochemistry is that the most stable compounds are superaromatic and exotic enough to confound most classical analysis.

Manuel, Lawrence R.↗
NASA NTRS1989

Computer simulation of dust grain evolution

The latest results are reported from a Monte Carlo code that is being developed at NASA Ames. The goal of this program, is to derive from the observed and presumed properties of the interstellar medium (ISM) the following information: (1) the size spectrum of interstellar dust; (2) the chemical structure of interstellar dust; (3) interstellar abundances; and (4) the lifetime of a dust grain in the ISM. Presently this study is restricted to refractory interstellar material, i.e., the formation and destruction of ices are not included in the program. The program is embedded in an analytic solution for the bulk chemical evolution of a two-phase interstellar medium in which stars are born in molecular clouds, but new nucleosynthesis products and stellar return are entered into a complementary intercloud medium. The well-mixed matter of each interstellar phase is repeatedly cycled stochastically through the complementary phase and back. Refractory dust is created by thermal condensation as stellar matter flows away from sites of nucleosynthesis such as novae and supernovae and/or from the matter returned from evolved intermediate stars. The history of each particle is traced by standard Monte Carlo techniques as it is sputtered and fragmented by supernova shock waves in the intercloud medium. It also accretes an amorphous mantle of gaseous refractory atoms when its local medium joins with the molecular cloud medium. Finally it encounters the possibility of astration (destruction by star formation) within the molecular clouds.

Liffman, K.↗
NASA NTRS2022

Energy Landscape, and Structural and Spectroscopic Characterization of Diazirine and Its Cyclic Isomers

Identifying new nitrogenated hydrocarbon molecules in the interstellar medium (ISM) is challenging due to the lack of comprehensive spectroscopic data from experiments. In this computational work, we focus on investigating the structures, relative energies, spectroscopic constants, and energy landscape of the cyclic isomers of diazirine (c-CH2N2) using ab initio quantum chemical methods. Density functional theory (DFT) methods and coupled cluster theory with singles and doubles including perturbative triples [CCSD(T)] and CCSD(T) with the explicitly correlated F12 b correction [CCSD(T)-F12b] were employed for this purpose along with large correlation consistent cc-pVTZ, cc-pVQZ, and cc-pV5Z basis sets. Harmonic vibrational frequencies, infrared vibrational intensities, rotational constants, and dipole moments are reported. An harmonic vibrational fundamentals along with centrifugal distortion constants, and vibration-rotation interaction constants are also reported for all the cyclic isomers. The energies computed with the CCSD(T) and CCSD(T)-F12b methods were extrapolated to the one-particle complete basis set (CBS) limit following a three-point formula. At the CCSD(T)-F12b/CBS level of theory the 3,3H-diazirine (c-CH2N2) is the lowest energy cyclic isomer followed by 1,3H-diazirine, (E)-1,2H-Diazirine, and (Z)-1,2H-diazirine which are 20.1, 47.8, and 51.3kcal mol-1above the 3,3H-Diazirine, respectively. Accurate structures and spectroscopic constants that are reported here could be useful for future identification of these cyclic nitrogenated organic molecules in the interstellar medium or circumstellar disks.

Energy Landscape↗
NASA NTRS1989

Radio emission and the hot interstellar medium of early-type galaxies

The results of an analysis of a sample of 84 elliptical and S0 galaxies, observed in X-rays with the Einstein Observatory and in radio continuum at 5 GHz, are reported. Radio flux densities result in some of the lowest radio powers yet reported for early-type galaxies. Radio structures extending beyond the optical radius are found only in galaxies with 5 GHz radio power greater than about 10 exp 29.5 ergs/s/Hz. Radio and X-ray luminosities are correlated, although with large intrinsic scatter, suggesting that more than one mechanism may be involved. A correlation between core radio power and the X-ray-to-optical ratio suggests a connection between the hot ISM and nuclear radio sources and points to accreting cooling flows as the fuel for the radio sources. For the same radio core power, extended radio lobes tend to be associated with galaxies with relatively smaller X-ray-to-optical ratios, pointing to the importance of the hot ISM in disrupting the radio jets and confining extended radio structures.

Fabbiano, G.↗
NASA NTRS1983

The kinematics and structure of N63A and associated H II regions

Shull (1983) and Shull et al. (1982) discussed very high resolution spectrographic observations of bright knots in the filaments of the Cygnus Loop, IC 443, Puppis A, and Vela X supernova remnants (SNRs). Information on the small-scale thermal, turbulent, and bulk radial motions of the gas in these galactic remnants was obtained on the basis of an analysis of the spectral-line profiles. An analysis by Shull (1983) of N49, located in the Large Magellanic Cloud (LMC) is concerned with the large-scale structural and kinematic properties of N49 as it evolves in a cloudy interstellar medium (ISM). The present investigation represents the companion analysis of N63A, which is also a Type II SNR in the LMC. Echelle spectrograph observations indicate, for the first time, the large-scale kinematic and structural properties of the N63A system. They show clearly that the SNR, like N49, is evolving in a clumpy ISM.

Shull, P., Jr.↗
NASA NTRS1986

Bubbles and braided jets in galaxies with compact radio nuclei

Narrow-band H-alpha CCD images showing ionized gas in organized kiloparsec-scale structures in three galaxies with low-level active nuclei are presented. The edge-on spiral NGC 3079 contains an apparent loop structure which corresponds to previously reported nonthermal radio emission along the minor axis. The optical emission probably results from interaction between the ejected plasma and the ISM in the disk and halo. The S0 galaxy NGC 3998 exhibits an S-shaped structure centered on the nucleus, with no other evidence for spiral structure. In the spiral galaxy NGC 4258, the presence of continuum-free emission-line arms which coincide with the nonthermal radio arms is confirmed. The morphology of the arms suggests the presence of two double-sided jets which braid or wrap around one another and which bifurcate on both sides. It is concluded that the optical and radio emission in NGC 3079 and in NGC 4258 are related, and it is suggested that both are powered by a plasma which flows from the active nucleus and dissipates kinetic energy in the surrounding ISM.

Ford, Holland C.↗
NASA NTRS2002

Infrared Emission From Interstellar PAHs, New Probes of the Interstellar Medium

Tremendous strides have been made in the understanding of interstellar material over the past twenty years thanks to significant, parallel developments in two closely related areas: observational IR astronomy and laboratory astrophysics. Twenty years ago the composition of interstellar dust was largely unknown and the notion of abundant, gas phase, polycyclic aromatic hydrocarbons (PAHs) anywhere in the interstellar medium (ISM) considered impossible. Today the dust composition of the diffuse and dense ISM is reasonably well constrained and the spectroscopic case for interstellar PAHs, impossibly large molecules by early interstellar chemistry standards, is very strong. PAH spectral features are now being used as new probes of the ISM. PAH ionization states reflect the ionization balance of the medium while PAH size and structure reflect the energetic and chemical history of the medium. Aromatic carbon-rich materials ranging in size from PAHs and PAH nanoclusters, to sub-micron and micron-sized dust grains represent an important component of the ISM. These species: (1) dominate the heating and cooling of interstellar clouds via energetic photoelectron ejection and infrared (IR) emission; (2) moderate the ionization balance in photodissociation regions and molecular clouds; (3) moderate the composition of the gas phase and play an important role in determining the chemistry of the ISM; (4) contribute to the interstellar extinction in the near IR, visible, and UV spectral regions; and (5) convert UV, visible, and near-IR radiation to mid- and far-IR radiation in the ISM and, as such, are responsible for the well known, widespread family of mid-IR emission features with major components near 3.3, 6.2, 7.7, 8.6, and 11.3 microns.

Hudgins, D. M.↗
NASA NTRS2012

Transformation of Graphitic and Amorphous Carbon Dust to Complex Organic Molecules in a Massive Carbon Cycle in Protostellar Nebulae

More than 95% of silicate minerals and other oxides found in meteorites were melted, or vaporized and recondensed in the Solar Nebula prior to their incorporation into meteorite parent bodies. Gravitational accretion energy and heating via radioactive decay further transformed oxide minerals accreted into planetesimals. In such an oxygen-rich environment the carbonaceous dust that fell into the nebula as an intimate mixture with oxide grains should have been almost completely converted to CO. While some pre-collapse, molecular-cloud carbonaceous dust does survive, much in the same manner as do pre-solar oxide grains, such materials constitute only a few percent of meteoritic carbon and are clearly distinguished by elevated D/H, N-15/N-16, C-13/C-12 ratios or noble gas patterns. Carbonaceous Dust in Meteorites: We argue that nearly all of the carbon in meteorites was synthesized in the Solar Nebula from CO and that this CO was generated by the reaction of carbonaceous dust with solid oxides, water or OH. It is probable that some fraction of carbonaceous dust that is newly synthesized in the Solar Nebula is also converted back into CO by additional thermal processing. CO processing might occur on grains in the outer nebula through irradiation of CO-containing ice coatings or in the inner nebula via Fischer-Tropsch type (FTT) reactions on grain surfaces. Large-scale transport of both gaseous reaction products and dust from the inner nebula out to regions where comets formed would spread newly formed carbonaceous materials throughout the solar nebula. Formation of Organic Carbon: Carbon dust in the ISM might easily be described as inorganic graphite or amorphous carbon, with relatively low structural abundances of H, N, O and S . Products of FTT reactions or organics produced via irradiation of icy grains contain abundant aromatic and aliphatic hydrocarbons. aldehydes, keytones, acids, amines and amides.. The net result of the massive nebular carbon cycle is to convert relatively inert carbonaceous dust from the ISM into the vital organic precursors to life such as amino acids and sugars intimately mixed with dust and ice in primitive planetesimals. Since the number of carbon atoms entering the Solar Nebula as dust exceeds the number of atoms entering the nebula as oxide grains. the formation of large quantities of complex organic molecules may represent the largest single chemical cycle in the nebula.

Nuth, Joseph A., III↗
NASA NTRS2011

Initiating Molecular Growth in the Interstellar Medium via Dimeric Complexes of Observed Ions and Molecules

A feasible initiation step for particle growth in the interstellar medium (ISM) is simulated by means of ab quantum chemistry methods. The systems studied are dimer ions formed by pairing nitrogen containing small molecules known to exist in the ISM with ions of unsaturated hydrocarbons or vice versa. Complexation energies, structures of ensuing complexes and electronic excitation spectra of the encounter complexes are estimated using various quantum chemistry methods. Moller-Plesset perturbation theory (MP2, Z-averaged perturbation theory (ZAP2), coupled cluster singles and doubles with perturbative triples corrections (CCSD(T)), and density functional theory (DFT) methods (B3LYP) were employed along with the correlation consistent cc-pVTZ and aug-cc-pVTZ basis sets. Two types of complexes are predicted. One type of complex has electrostatic binding with moderate (7-20 kcal per mol) binding energies, that are nonetheless significantly stronger than typical van der Waals interactions between molecules of this size. The other type of complex develops strong covalent bonds between the fragments. Cyclic isomers of the nitrogen containing complexes are produced very easily by ion-molecule reactions. Some of these complexes show intense ultraviolet visible spectra for electronic transitions with large oscillator strengths at the B3LYP, omegaB97, and equations of motion coupled cluster (EOM-CCSD) levels. The open shell nitrogen containing carbonaceous complexes especially exhibit a large oscillator strength electronic transition in the visible region of the electromagnetic spectrum.

Bera, Partha P.↗
NASA NTRS2017

Radiation Processing of Polycyclic Aromatic Hydrocarbons (PAHs) in Space: ICEE PoC

Small Polycyclic Aromatic Hydrocarbon molecules or PAHs (<30 carbon atoms) have been identified in comets, meteorites, asteroids, and interplanetary dust particles in our Solar System, while PAHs in the Interstellar Medium (ISM) tend to be much larger, usually between 50 to 100 carbon atoms in size. The cause of the size disparity between PAHs found in the ISM and Solar System as well as their influence on Solar System organics is not yet understood. Two chemical evolutionary paths have been proposed to explain the inventory of solar system organics. In one the prebiotic material was formed from the radiation induced modification of large pre-solar carbon-bearing species (e.g. ISM PAHs). The second path suggests that Solar System prebiotic matter is the result of bottom-up synthesis from small reactive molecules after the Solar System was formed. In this second scenario very few ISM PAHs survived the harsh pre-solar radiation as aromatic structures. ICEE PoC (ICEE Proof of Concept) investigated factors impacting the chemical evolution of large PAHs irradiated under conditions similar to the proto-solar nebula. Likewise ICEE PoC will refine the technical parameters of the proposed ICEE (Institute for Carbon Evolution Experiment) laboratory.

Mattioda, Andrew↗
NASA NTRS1983

The inner radio structure of Centaurus A - Clues to the origin of the jet X-ray emission

VLA observations at 1.4 and 4.9 GHz of the jet and inner lobes of the nearby radio galaxy Centaurus A have been used to construct maps of total intensity and polarization at resolutions of 31 x 10 and 3.6 x 1.1 arcsec. Surface brightness and pressure distributions in the jet, combined with the apparent X-ray emission from the ISM of NGC 5128, indicate that it is thermally confined. A comparison of the radio structure and the optical galaxy shows that the jet in Cen A emerges nearly along the major axis of the elliptical stellar component that is parallel to the angular momentum vector of the dust lane. The outer radio structure bends toward the galaxy minor axis. Evidence is found for a common synchrotron radiation origin of the full spectrum jet emission.

Burns, J. O.↗
NASA NTRS1995

The neutral atomic phases of the interstellar medium

We calculate the thermal equilibrium gas temperature of the diffuse interstellar medium. Our method incorporates a new photoelectric heating rate from small grains and polycyclic aromatic hydrocarbons (PAHs) that accounts for a size distribution of particles extending from 100 to 3 A radius. We also include a detailed treatment of the ionization rates and heating due to the soft X-ray background and due to cosmic rays. Phase diagrams (thermal pressure P versus hydrogen density n) are presented for gas that is illuminated by local interstellar far-ultraviolet (FUV) and X-ray radiation fields. A stable two-phase medium is produced with thermal pressure in the range P/k approximately = to 10(exp 3-4) K/cc. We demonstrate that photoelectric heating from PAHs dominates in the warm neutral phase (WNM) and cold neutral phase (CNM). If the C II (158 micrometers cooling per hydrogen nucleus in the solar neighborhood represents an average value for the Galaxy, we predict L(sub CII) approximately = to 7 x 10(exp 7) solar luminosities from the CNM in the Galaxy, comparable to that observed by the Cosmic Background Explorer (COBE). We discuss the dependence of the results on absorbing column density, gas phase abundances, dust abundances and metallicity, FUV field, and the X-ray radiation field. These results will be useful in modeling the multiphase structure of high-velocity clouds in the halo, the interstellar matter (ISM) at other galactocentric radii, and the ISM in external galaxies and galactic nuclei.

Wolfire, M. G.↗
NASA NTRS2022

The Polstar High Resolution Spectropolarimetry MIDEX Mission

The Polstar mission will provide a space-borne 60 cm spectropolarimeter operating at ultraviolet (UV) wavelengths, capturing all four Stokes parameters (intensity, two linear polarization components, and circular polarization). Polstar’s capabilities are designed to meet its goal of determining how circumstellar gas flows alter and inform massive star evolution, affect the stellar remnant population, and stir and enrich the interstellar medium (ISM). These will be achieved by investigating the dynamical geometries in the winds and disks of hot stars, the composition and magnetic alignment of interstellar dust, and the star-forming accretion disks of UV-bright stars at an important transition boundary. Together these areas map out a kind of two-way interface between massive stars and their effect on our galaxy, wherein the stellar winds enrich the ISM with metals and kinetic energy, preconditioning their environment and the stellar endpoints prior to undergoing supernova. The ISM dust in turn reveals the composition and magnetic environment leading to new star formation, and the accretion disks of Herbig Ae/Be stars reveal how the ISM gas returns to make new massive stars. Polstar will combine high-resolution spectroscopy in the time domain with high-precision UV polarimetry. Doppler-shifted UV resonance line opacity will provide information about circumstellar kinematics, while polarization gives complementary geometric information about unseen structures. The composition and magnetic alignment of the smallest interstellar dust grains provides a probe of the ISM utilizing radiative alignment theory (RAT). Polstar will operate in the far-UV (FUV) at 122–200 nm at high spectral resolution of around R ∼ 30k, and at FUV and near-UV (NUV) wavelengths of 122–320 nm at lower spectral resolutions of 0.1 - 1k. Detection of polarization levels as weak as 0.1% are expected, with a temporal cadence ranging from 5–10 minutes for most wind variability studies, to hours or days for sampling rotation, to days or weeks for sampling binary orbits, to months to a year for sampling substructure in the inner regions of protoplanetary disks. Sub-meter-class aperture is well suited to access this wide array of time domain science, made possible by restricting to a few hundred bright, massive stars, necessarily extincted by a small to moderate column of interstellar dust, informing both the attributes of the stars and the ISM through which they are seen. As such, the focus is on our own galaxy and its evolutionary drivers, but a few targets in the Magellanic clouds offer the potential to extend this understanding to low-metallicity environments.

Paul A Scowen↗