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NASA NTRS2004

Interstellar Dust Models

A viable interstellar dust model - characterized by the composition, morphology, and size distribution of the dust grains and by the abundance of the different elements locked up in the dust - should fit all observational constraints arising primarily from the interactions of the dust with incident radiation or the ambient gas. As a minimum, these should include the average interstellar extinction, the infrared emission from the diffuse interstellar medium (ISM), and the observed interstellar abundances of the various refractory elements. The last constraint has been largely ignored, resulting in dust models that require more elements to be in the dust phase than available in the ISM. In this talk I will describe the most recent advances towards the construction of a comprehensive dust model made by Zubko, Dwek, and Arendt, who, for the first time, included the interstellar abundances as explicit constraints in the construction of interstellar dust models. The results showed the existence of many distinct models that satisfy the basic set of observational constraints, including bare spherical silicate and graphite particles, PAHs, as well as spherical composite particles containing silicate, organic refractories, water ice, and voids. Recently, a new interstellar dust constituent has emerged, consisting of metallic needles. These needles constitute a very small fraction of the interstellar dust abundance, and their existence is primarily manifested in the 4 to 8 micron wavelength region, where they dominate the interstellar extinction. Preliminary studies show that these models may be distinguished by their X-ray halos, which are produced primarily by small angle scattering off large dust particles along the line of sight to bright X-ray sources, and probe dust properties largely inaccessible at other wavelengths.

Dwek, Eli↗
NASA NTRS2005

Applications of Quantum Chemistry to the Study of Carbon Nanotubes

For several years, scientists at NASA Ames have been studying the properties of carbon nanotubes using various experimental and computational methods. In this talk, I will compare different strategies for using quantum chemistry calculations to describe the electronic structure, deformation and chemical functionalization of single wall carbon nanotubes (SWNT) and the physisorption of small molecules on nanotube surfaces. The SWNT can be treated as an infinite (periodic) or finite length carbon cylinder or as a polycyclic aromatic hydrocarbon (PAH) molecule with an imposed curvature maintained by external constraints (as if it were cut out of the SWNT surface). Calculations are carried out using DFT and MP2 methods and a variety of atomic orbital basis sets from minimal (STO-3G) to valence triple zeta. The optimal approach is based on the particular SWNT property of interest. Examples to be discussed include: nanotube fluorination and other functionalization reactions; coating of nanotubes by water vapor and low-molecular weight organic molecules; and the nature of the interface between SWNT and liquids such as water and amines. In many cases, the quantum chemistry calculations are used to parameterize or validate force fields for molecular dynamics simulations. The results of these calculations have helped explain experimental data and contributed to the design of novel materials and sensors based on carbon nanotubes. Some of this research is described in the following papers:

Jaffe, Richard L.↗
NASA NTRS2005

Experiment to Characterize Aircraft Volatile Aerosol and Trace-Species Emissions (EXCAVATE)

The Experiment to Characterize Aircraft Volatile and Trace Species Emissions (EXCAVATE) was conducted at Langley Research Center (LaRC) in January 2002 and focused upon assaying the production of aerosols and aerosol precursors by a modern commercial aircraft, the Langley B757, during ground-based operation. Remaining uncertainty in the postcombustion fate of jet fuel sulfur contaminants, the need for data to test new theories of particle formation and growth within engine exhaust plumes, and the need for observations to develop air quality models for predicting pollution levels in airport terminal areas were the primary factors motivating the experiment. NASA's Atmospheric Effects of Aviation Project (AEAP) and the Ultra Effect Engine Technology (UEET) Program sponsored the experiment which had the specific objectives of determining ion densities; the fraction of fuel S converted from S(IV) to S(VI); the concentration and speciation of volatile aerosols and black carbon; and gas-phase concentrations of long-chain hydrocarbon and PAH species, all as functions of engine power, fuel composition, and plume age.

Anderson, B. E.↗
NASA NTRS2005

From Astrochemistry to Astrobiology

The first part of this talk will describe how infrared spectroscopic studies of interstellar space, combined with laboratory simulations of interstellar ice chemistry, have revealed the widespread presence of interstellar PAHs and the composition of interstellar ices, the building blocks of comets. The remainder of the presentation will focus on the photochemical evolution of these materials and astrobiology. Within a molecular cloud, and especially the presolar nebula, materials frozen into the ices are photoprocessed by ultraviolet light and produce more complex molecules. As these materials are the building blocks of comets and related to carbonaceous micrometeorites, they are likely to have been important sources of complex materials delivered to the early Earth and their composition may be related to the origin of life.

Allamandola, L. J.↗
NASA NTRS2005

UV IRRADIATION OF AROMATIC NITROGEN HETEROCYCLES IN INTERSTELLAR ICE ANALOGS

Here, we present information on the properties of the ANH quinoline frozen in interstellar water-ice analogs. Quinoline is a two-ring compound structurally analogous to the PAH naphthalene. In this work, binary mixtures of water and quinoline were frozen to create interstellar ice analogs, which were then subjected to ultraviolet photolysis. We will present the infrared spectra of the resulting ices at various temperatures, as well as chromatographic analysis of the residues remaining upon warm-up of these ices to room temperature.

Elsila, J. E.↗
NASA NTRS2006

The Origin and Evolution of Interstellar Dust

In this lecture I will discuss the many different manifestation of interstellar dust, and current dust models that satisfy interstellar extinction, diffuse infrared emission, and interstellar abundances constraints. Dust is made predominantly in AGB stars and Type I1 supernovae, and I will present observational evidence for the presence of dust in these sources. I will then present chemical evolution models that follow the abundance of dust which is determined by the combined processes of formation, destruction by interstellar shock waves, and accretion in molecular clouds. The model will be applied to the evolution of PAHs and the evolution of dust in the high-redshift galaxy (z=6.42) JD11.

Dwek, Eli↗
NASA NTRS2006

Decoding IR Spectra of Cosmic Ices and Organics in the Laboratory

Tremendous strides have been made in our understanding of interstellar material over the past twenty-five years thanks to significant developments in observational IR astronomy and dedicated laboratory experiments. Twenty-five years ago the composition of interstellar dust was largely guessed at. Today the composition of interstellar dust is reasonably well understood. In the diffuse interstellar medium (ISM) the dust population is mainly comprised of small grains of silicates and amorphous carbon. In dark molecular clouds, the birthplace of stars and planets, these cold refractory dust particles are coated with mixed molecular ices whose composition is reasonably well constrained. Lastly, the signature of carbon-rich polycyclic aromatic hydrocarbons (PAHs), shockingly large molecules by early interstellar chemistry standards, is widespread throughout the Universe. This extraordinary progress has been made possible by the close collaboration of laboratory experimentalists and theoreticians with IR astronomers using groundbased, air-borne, and orbiting telescopes.

Allamandola, Louis J.↗
NASA NTRS2006

Laboratory Studies of Stabilities of Heterocyclic Aromatic Molecules: Suggested Gas Phase Ion-Molecule Routes to Production in Interstellar Gas Clouds

Several ring compounds have been detected in interstellar gas clouds, ISC, including the aromatic, benzene. Polycyclic aromatic hydrocarbons, PAHs, have been implicated as carriers of diffuse interstellar bands (DIBs) and unidentified infrared (UIR) bands. Heterocyclic aromatic rings of intermediate size containing nitrogen, possibly PreLife molecules, were included in early searches but were not detected and a recent search for Pyrimidine was unsuccessful. Our laboratory investigations of routes to such molecules could establish their existence in ISC and suggest conditions under which their concentrations would be maximized thus aiding the searches. The stability of such ring compounds (C5H5N, C4H4N2, C5H11N and C4H8O2) has been tested in the laboratory using charge transfer excitation in ion-molecule reactions. The fragmentation paths, including production of C4H4(+), C3H3N(+) and HCN, suggest reverse routes to the parent molecules, which are presently under laboratory investigation as production sources.

Adams, Nigel G.↗
NASA NTRS2006

Laboratory Studies on the Formation of Carbon-Bearing Molecules in Extraterrestrial Environments: From the Gas Phase to the Solid State

A detailed knowledge of the formation of carbon-bearing molecules in interstellar ices and in the gas phase of the interstellar medium is of paramount interest to understand the astrochemical evolution of extraterrestrial environments (1). This research also holds strong implications to comprehend the chemical processing of Solar System environments such as icy planets and their moons together with the atmospheres of planets and their satellites (2). Since the present composition of each interstellar and Solar System environment reflects the matter from which it was formed and the processes which have changed the chemical nature since the origin (solar wind, planetary magnetospheres, cosmic ray exposure, photolysis, chemical reactions), a detailed investigation of the physicochemical mechanisms altering the pristine environment is of paramount importance to grasp the contemporary composition. Once these underlying processes have been unraveled, we can identify those molecules, which belonged to the nascent setting, distinguish molecular species synthesized in a later stage, and predict the imminent chemical evolution of, for instance, molecular clouds. Laboratory experiments under controlled physicochemical conditions (temperature, pressure, chemical composition, high energy components) present ideal tools for simulating the chemical evolution of interstellar and Solar System environments. Here, laboratory experiments can predict where and how (reaction mechanisms; chemicals necessary) in extraterrestrial environments and in the interstellar medium complex, carbon bearing molecules can be formed on interstellar grains and in the gas phase. This paper overviews the experimental setups utilized in our laboratory to mimic the chemical processing of gas phase and solid state (ices) environments. These are a crossed molecular beams machine (3) and a surface scattering setup (4). We also present typical results of each setup (formation of amino acids, aldehydes, epoxides; synthesis of hydrogen terminated carbon chains as precursors to complex PAHs and to carbonaceous dust grains in general; nitriles as precursor to amino acids).

Jamieson, C. S.↗
NASA NTRS2006

Vibrational Spectroscopy after OSU - From C2- to Interstellar Polycyclic Aromatic Hydrocarbons

The composition of interstellar ice and dust provides insight into the chemical history of the interstellar medium and early solar system. It is now possible to probe this unique and unusual chemistry and determine the composition of these microscopic interstellar particles which are hundreds to many thousands of light years away thanks to substantial progress in two areas: astronomical spectroscopic techniques in the middle-infrared, the spectral region most diagnostic of chemical composition, and laboratory simulations which realistically reproduce the critical conditions in various interstellar environments. High quality infrared spectra of many different astronomical sources, some associated with giant, dark molecular clouds -the birthplace of stars and planets- and others in more tenuous, UV radiation rich regions are now available. The fundamentals of IR spectroscopy and what comparisons of astronomical IR spectra with laboratory spectra of materials prepared under realistic simulated interstellar conditions tell us about the components of these materials is the subject of this talk. These observations have shown that mixed molecular ices comprised of H2O, CH3OH, CO, NH3 and H2CO contain most of the molecular material in molecular clouds and that gas phase, ionized polycyclic aromatic hydrocarbons (PAHs) are widespread and surprisingly abundant throughout most of the interstellar medium.

Allamandola, Louis J.↗
NASA NTRS2006

TOF-SIMS Analysis of Crater Residues from Wild 2 Cometary on Stardust Aluminum Foil

Impact residues of cometary particles on aluminum foils from the Stardust mission were investigated with TOF-SIMS for their elemental and organic composition. The residual matter from comet 81P/Wild 2 shows a wide compositional range, from nearly monomineralic grains to polymict aggregates. Despite the comparably small analyzed sample volume, the average element composition of the investigated residues is similar to bulk CI chondritic values. Analysis of organic components in impact residues is complicated, due to fragmentation and alteration of the compounds during the impact process and by the presence of contaminants on the aluminum foils. Nevertheless, polycyclic aromatic hydrocarbons (PAHs) that are unambiguously associated with the impact residues were observed, and thus are most likely of cometary origin.

Leutner, Jan↗
NASA NTRS2008

Energy Deposition Processes in Titan's Upper Atmosphere

Most of Titan's atmospheric organic and nitrogen chemistry, aerosol formation, and atmospheric loss are driven from external energy sources such as Solar UV, Saturn's magnetosphere, solar wind and galactic cosmic rays. The Solar UV tends to dominate the energy input at lower altitudes of approximately 1100 km but which can extend down to approximately 400 km, while the plasma interaction from Saturn's magnetosphere, Saturn's magnetosheath or solar wind are more important at higher altitudes of approximately 1400 km, but the heavy ion plasma [O(+)] of approximately 2 keV and energetic ions [H(+)] of approximately 30 keV or higher from Saturn's magnetosphere can penetrate below 950km. Cosmic rays with energies of greater than 1 GeV can penetrate much deeper into Titan's atmosphere with most of its energy deposited at approximately 100 km altitude. The haze layer tends to dominate between 100 km and 300 km. The induced magnetic field from Titan's interaction with the external plasma can be very complex and will tend to channel the flow of energy into Titan's upper atmosphere. Cassini observations combined with advanced hybrid simulations of the plasma interaction with Titan's upper atmosphere show significant changes in the character of the interaction with Saturn local time at Titan's orbit where the magnetosphere displays large and systematic changes with local time. The external solar wind can also drive sub-storms within the magnetosphere which can then modify the magnetospheric interaction with Titan. Another important parameter is solar zenith angle (SZA) with respect to the co-rotation direction of the magnetospheric flow. Titan's interaction can contribute to atmospheric loss via pickup ion loss, scavenging of Titan's ionospheric plasma, loss of ionospheric plasma down its induced magnetotail via an ionospheric wind, and non-thermal loss of the atmosphere via heating and sputtering induced by the bombardment of magnetospheric keV ions and electrons. This energy input evidently drives the large positive and negative ions observed below approximately 1100 km altitude with ion masses exceeding 10,000 daltons. We refer to these ions as seed particles for the aerosols observed below 300 km altitude. These seed particles can be formed, for example, from the polymerization of acetylene (C2H2) and benzene (C6H6) molecules in Titan's upper atmosphere to form polycyclic aromatic hydrocarbons (PAH) and/or fullerenes (C60). In the case of fullerenes, which are hollow spherical carbon shells, magnetospheric keV [O(+)] ions can become trapped inside the fullerenes and eventually find themselves inside the aerosols as free oxygen. The aerosols are then expected to fall to Titan's surface as polymerized hydrocarbons with trapped free oxygen where unknown surface chemistry can take place.

Sittler, Edward C., Jr.↗
NASA NTRS2009

Carbon XANES Data from Six Aerogel Picokeystones Cut from the Top and Bottom Sides of the Stardust Comet Sample Tray

Great care and a large effort was made to minimize the amount of organic matter contained within the flight aerogel used to collect Comet 81P/Wild 2 samples. Even so, by the very nature of the production process and silica aerogel s affinity for volatile organics keeping silica aerogel free from organics is a monumental task. Silica aerogel from three production batches was flown on the Stardust sample return mission. All 3 types had layered densities varying from 5mg/ml to 50 mg/ml where the densest aerogel was farthest away from the collection area. A 2 step gelation process was used to make the flight aerogel and organics used in this process were tetraethylorthosilicate, ethanol and acetonitrile. Both ammonium hydroxide and nitric acid were also used in the aerogel production process. The flight aerogel was baked at JPL at 300 C for 72 hours, most of the baking was done at atmosphere but twice a day the oven was pumped to 10 torr for hour [1]. After the aerogel was baked it was stored in a nitrogen purged cabinet until flight time. One aerogel cell was located in the SRC away from any sample collection area as a witness to possible contamination from out gassing of the space craft, re-entry gases and any other organic encounter. This aerogel was aerogel used in the interstellar collection sample tray and is the least dense of the 3 batches of aerogel flown. Organics found in the witness tile include organics containing Si-CH3 bonds, amines and PAHS. Besides organic contamination, hot spots of calcium were reported in the flight aerogel. Carbonates have been detected in comet 81P/Wild2 samples . During preflight analyses, no technique was used to analyze for carbonates in aerogel. To determine if the carbonates found in 81P/Wild2 samples were from the comet, it is necessary to analyze the flight aerogel for carbonate as well as for organics.

Wirick, S.↗
NASA NTRS2010

The Wasp-Waist Nebula: VLA Ammonia Observations of the Molecular Core Envelope In a Unique Class 0 Protostellar System

The Wasp-Waist Nebula was discovered in the IRAC c2d survey of the Ophiuchus starforming clouds. It is powered by a well-isolated, low-luminosity, low-mass Class 0 object. Its weak outflow has been mapped in the CO (3-2) transition with the JCMT, in 2.12 micron H2 emission with WIRC (the Wide-Field Infrared Camera) on the Hale 5-meter, and, most recently, in six H2 mid-infrared lines with the IRS (InfraRed Spectrograph) on-board the Spitzer Space Telescope; possible jet twisting structure may be evidence of unique core dynamics. Here, we report results of recent VLA ammonia mapping observations of the dense gas envelope feeding the central core protostellar system. We describe the morphology, kinematics, and angular momentum characteristics of this unique system. The results are compared with the envelope structure deduced from IRAC 8-micron absorption of the PAH (polycyclic aromatic hydrocarbon) background emission from the cloud.

Wiseman, Jennifer↗
NASA NTRS2010

Search for Organic Nanoglobules in Carbonaceous Chondrites Using Microtomography

Primitive solar materials have various organic matters. In recent years, novel organic materials called organic nanoglobules of a few hundred micrometers in typical size were discovered in carbonaceous chondrites, IDPs, and comet 81P/Wild 2. The organic globules are spherical shape and in many cases with hollow structures. Composition of the globules are mainly aromatic carbon. The isotopic anomalies of SD and 6N 15 observed in the globules indicate that they were formed from photochemical reaction to ice particles at very low temperature environment, such as molecular clouds or outer protosolar disk. Aqueous alteration of organic matters and the gamma-ray irradiation to PAH are also suggested as alternative possible formation processes. If the globules are made from organic ice particles, the hollow regions of the globules are suggested to be once filled with volatile H20-rich organic ices, while if they were formed by aqueous alteration, the hollow regions should be filled with a fluid which caused the aqueous alteration. However, fluids in the globules have not been detected so far in the previous studies. If fluids were originally preserved in the hollows, they might be lost during destructive processes of sample separation or preparation for TEM observation. X-ray computed tomography (CT) is a nondestructive method which can determine 3-D internal structures of objects. SR (synchrotron radiation)-based imaging microtomography can give submicron spatial resolution [8] and was applied to micro textures in extraterrestrial materials, such as cometary grains captured by the Stardust mission [9]. If organic globules are observed non-destructively in carbonaceous chondrites by tomography, we can check the presence of fluids in the hollows. If fluids are preserved, we may analyze chemical and isotopic compositions of the fluids. The purpose of this study is to observe organic nanoglobules using imaging tomography for future analysis.

Matsumoto, T.↗
NASA NTRS2010

Spitzer Observations of Dust Destruction in the Puppis A Supernova Remnant

Imaging and spectral observations of the Puppis A supernova remnant (SNR) with the Spitzer Space Telescope confirm that its IR emission is dominated by the thermal continuum emission of swept-up interstellar dust which is collisionally heated by the X-ray emitting gas of the SNR. Line emission is too weak to affect the fluxes measured in broadband observations, and is poorly correlated with the IR or X-ray emission. Modeling of spectra from regions both in the SNR and in the associated ISM show that the ubiquitous polycyclic aromatic hydrocarbons (PAHs) of the ISM are destroyed within the SNR, along with nearly 25% of the mass of graphite and silicate dust grains.

Arendt, Richard G.↗
NASA NTRS2010

Microfluidics microFACS for Life Detection

A prototype micro-scale Fluorescent Activated Cell Sorter (microFACS) for life detection has been built and is undergoing testing. A functional miniature microfluidics instrument with the ability to remotely distinguish live or dead bacterial cells from abiotic particulates in ice or permafrost of icy bodies of the solar system would be of fundamental value to NASA. The use of molecular probes to obtain the bio-signature of living or dead cells could answer the most fundamental question of Astrobiology: Does life exist beyond Earth? The live-dead fluorescent stains to be used in the microFACS instrument function only with biological cell walls. The detection of the cell membranes of living or dead bacteria (unlike PAH's and many other Biomarkers) would provide convincing evidence of present or past life. This miniature device rapidly examine large numbers of particulates from a polar ice or permafrost sample and distinguish living from dead bacteria cells and biological cells from mineral grains and abiotic particulates and sort the cells and particulates based on a staining system. Any sample found to exhibit fluorescence consistent with living cells could then be used in conjunction with a chiral labeled release experiment or video microscopy system to seek addition evidence for cellular metabolism or motility. Results of preliminary testing and calibration of the microFACS prototype instrument system with pure cultures and enrichment assemblages of microbial extremophiles will be reported.

Platt, Donald W.↗
NASA NTRS2011

Titan's Aerosol and Stratospheric Ice Opacities Between 18 and 500 Micrometers: Vertical and Spectral Characteristics from Cassini CIRS

Vertical distributions and spectral characteristics of Titan's photochemical aerosol and stratospheric ices are determined between 20 and 560 per centimeter (500-18 micrometers) from the Cassini Composite Infrared Spectrometer (CIRS). Results are obtained for latitudes of 15 N, 15 S, and 58 S, where accurate temperature profiles can be independently determined. In addition, estimates of aerosol and ice abundances at 62 N relative to those at 15 S are derived. Aerosol abundances are comparable at the two latitudes, but stratospheric ices are approximately 3 times more abundant at 62 N than at 15 S. Generally, nitrile ice clouds (probably HCN and HC3N), as inferred from a composite emission feature at approximately 160 per centimeter, appear to be located over a narrow altitude range in the stratosphere centered at approximately 90 km. Although most abundant at high northern latitudes, these nitrile ice clouds extend down through low latitudes and into mid southern latitudes, at least as far as 58 S. There is some evidence of a second ice cloud layer at approximately 60 km altitude at 58 S associated with an emission feature at approximately 80 per centimeter. We speculate that the identify of this cloud may be due to C2H6 ice, which in the vapor phase is the most abundant hydrocarbon (next to CH4) in the stratosphere of Titan. Unlike the highly restricted range of altitudes (50-100 km) associated with organic condensate clouds, Titan's photochemical aerosol appears to be well-mixed from the surface to the top of the stratosphere near an altitude of 300 km, and the spectral shape does not appear to change between 15 N and 58 S latitude. The ratio of aerosol-to-gas scale heights range from 1.3-2.4 at about 160 km to 1.1-1.4 at 300 km, although there is considerable variability with latitude, The aerosol exhibits a very broad emission feature peaking at approximately 140 per centimeter. Due to its extreme breadth and low wavenumber, we speculate that this feature may be caused by low-energy vibrations of two-dimensional lattice structures of large molecules. Examples of such molecules include polycyclic aromatic hydrocarbons (PAHs) and nitrogenated aromatics. Finally, volume extinction coefficients N chi EPSILON derived from 15 S CIRS data at a wavelength of lambda = 62.5 micrometers are compared with those derived from the 10 S Huygens Descent Imager/Spectral Radiometer (DISR) data at 1.583 micrometers. This comparison yields volume extinction coefficient ratios N chi EPSILON (1.583 micrometers)/N chi EPSILON (62.5 micrometers) of roughly 70 and 20, respectively, for Titan's aerosol and stratospheric ices, The inferred particle cross-section ratios chi EPSILON(1.583 micrometers)/chi EPSILON (62.5 micrometers) appear to be consistent with sub-micron size aerosol particles, and effective radii of only a few microns for stratospheric ice cloud particles.

Anderson, Carrie M.↗