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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Z-Target Radiography Postprocessing With A Deep Convolution Neural Network

Analyzing X-ray radiographs is crucial for understanding target behavior in Inertial Confinement Fusion (ICF) and High Energy Density (HED) platforms. However, the density of Magneto Raleigh Taylor (MRT) bands and limitations of target materials often obscure relevant spike growth and density information. To address this issue, machine learning postprocessing techniques can be applied to remove darkened regions in radiography images. In this study, a novel method is presented for removing MRT darkened regions from z-target radiographs using a convolutional neural network (CNN). The CNN, consisting of six layers, treats the darkened regions as noise and employs a mixed loss function and end-to-end frameworks to suppress them while preserving sharpness. The six-layer architecture is designed to effectively learn features when provided with a larger volume of learning space. Each layer is optimized using a mixed loss function that combines a standard loss pixel approach with a multi-scaled structural similarity index loss, which considers luminance, contrast, and structure in local neighborhoods. This approach is particularly beneficial for capturing the stochastic structure of MRT limbs. Due to the limited availability of experimental data, training is conducted using synthetic target radiography from 3D Alegra simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

High-Quality SnSe 2 Single Crystals: Electronic and Thermoelectric Properties

In this work, high-quality SnSe 2 single crystals were successfully synthesized using a temperature gradient method. N-type characteristics and strong anisotropic transport properties of SnSe 2 single crystals were exhibited between the ab plane and the c-axis. At 673 K, the power factor (PF) value along the ab plane is 3.43 μW cm -1 K -2 , while it is 0.92 μW cm -1 K -2 along the c-axis. The ratio between thermal conductivities along the ab plane (κ ab ) and c-axis (κ c ) is on the order of 7.6 at 300 K, while this value is about 5.6 at 673 K. The thermoelectric figure of merit (ZT) in the c-axis (0.15) is higher than that (0.1) along the ab plane, according to the ultralow out-of-plane thermal conductivity. The electronic band structure results, which were examined by angle-resolved photoemission spectroscopy (ARPES) predicted the potential of improving the thermoelectric performance of SnSe 2 single crystals by electron doping.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The LSST AGN Data Challenge: Selection Methods

Abstract Development of the Rubin Observatory Legacy Survey of Space and Time (LSST) includes a series of Data Challenges (DCs) arranged by various LSST Scientific Collaborations that are taking place during the project's preoperational phase. The AGN Science Collaboration Data Challenge (AGNSC-DC) is a partial prototype of the expected LSST data on active galactic nuclei (AGNs), aimed at validating machine learning approaches for AGN selection and characterization in large surveys like LSST. The AGNSC-DC took place in 2021, focusing on accuracy, robustness, and scalability. The training and the blinded data sets were constructed to mimic the future LSST release catalogs using the data from the Sloan Digital Sky Survey Stripe 82 region and the XMM-Newton Large Scale Structure Survey region. Data features were divided into astrometry, photometry, color, morphology, redshift, and class label with the addition of variability features and images. We present the results of four submitted solutions to DCs using both classical and machine learning methods. We systematically test the performance of supervised models (support vector machine, random forest, extreme gradient boosting, artificial neural network, convolutional neural network) and unsupervised ones (deep embedding clustering) when applied to the problem of classifying/clustering sources as stars, galaxies, or AGNs. We obtained classification accuracy of 97.5% for supervised models and clustering accuracy of 96.0% for unsupervised ones and 95.0% with a classic approach for a blinded data set. We find that variability features significantly improve the accuracy of the trained models, and correlation analysis among different bands enables a fast and inexpensive first-order selection of quasar candidates.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1996

On the Dynamics of Small-Scale Solar Magnetic Elements

We report on the dynamics of the small-scale solar magnetic field, based on analysis of very high resolution images of the solar photosphere obtained at the Swedish Vacuum Solar Telescope. The data sets are movies from 1 to 4 hr in length, taken in several wavelength bands with a typical time between frames of 20 s. The primary method of tracking small-scale magnetic elements is with very high contrast images of photospheric bright points, taken through a 12 A bandpass filter centered at 4305 A in the Fraunhofer 'G band.' Previous studies have established that such bright points are unambiguously associated with sites of small-scale magnetic flux in the photosphere, although the details of the mechanism responsible for the brightening of the flux elements remain uncertain. The G band bright points move in the intergranular lanes at speeds from 0.5 to 5 km/s. The motions appear to be constrained to the intergranular lanes and are primarily driven by the evolution of the local granular convection flow field. Continual fragmentation and merging of flux is the fundamental evolutionary mode of small-scale magnetic structures in the solar photosphere. Rotation and folding of chains or groups of bright points are also observed. The timescale for magnetic flux evolution in active region plage is on the order of the correlation time of granulation (typically 6-8 minutes), but significant morphological changes can occur on timescales as short as 100 S. Smaller fragments are occasionally seen to fade beyond observable contrast. The concept of a stable, isolated subarcsecond magnetic 'flux tube' in the solar photosphere is inconsistent with the observations presented here.

Berger, T. E.↗
NASA NTRS1992

Reflectance spectroscopy and GEX simulation of palagonite and iron-rich montmorillonite clay mixtures: Implications for the surface composition of Mars

Because of the power of remote sensing reflectance spectroscopy in determining mineralogy, it has been used as the major method of identifying a possible mineral analogue of the martian surface. A summary of proposed martian surface compositions from reflectance spectroscopy before 1979 was presented by Singer et al. Since that time, iron-rich montmorillonite clay, nanocrystalline or nanophase hematite, and palagonite have been suggested as Mars soil analogue materials. Palagonite in petrological terms is best described as an amorphous, hydrated, ferric iron, silica gel. Montmorillonite is a member of the smectite clay group, and its structure is characterized by an octahedral sheet in coordination with two tetrahedral sheets in which oxygen atoms are shared. The crystal unity of montmorillonite is well defined in contrast to palagonite where it is considered amorphous or poorly crystalline at best. Because of the absence of the diagnostic strong 2.2-micron reflectance band characteristic of clays in the near-infrared (NIR) spectrum of Mars and palagonite and based upon a consideration of wide wavelength coverage (0.3-50 microns), Roush et al. concluded that palagonite is a more likely Mars surface analogue. In spite of the spectral agreement of palagonite and the Mars reflectance spectrum in the 2.2-micron region, palagonite shows poor correspondence with the results of the Viking LR experiment. In contrast, iron-rich montmorillonite clays show relatively good agreement with the results of the Viking LR experiment. This spectral study was undertaken to evaluate the spectral properties of mixtures of palagonite and Mars analogue iron-rich montmorillonite clay (16-18 wt. percent Fe as Fe2O3) as a Mars surface mineralogical model. Mixtures of minerals as Mars surface analogue materials have been studied before, but the mixtures were restricted to crystalline clays and iron oxides.

Orenberg, J. B.↗
NASA NTRS2004

Extra Solar Planetary Imaging Coronagraph and Science Requirements for the James Webb Telescope Observatory

1) Extra solar planetary imaging coronagraph. Direct detection and characterization of Jovian planets, and other gas giants, in orbit around nearby stars is a necessary precursor to Terrestrial Planet Finder 0 in order to estimate the probability of Terrestrial planets in our stellar neighborhood. Ground based indirect methods are biased towards large close in Jovian planets in solar systems unlikely io harbor Earthlike planets. Thus to estimate the relative abundances of terrestrial planets and to determine optimal observing strategies for TPF a pathfinder mission would be desired. The Extra-Solar Planetary Imaging Coronagraph (EPIC) is such a pathfinder mission. Upto 83 stellar systems are accessible with a 1.5 meter unobscured telescope and coronagraph combination located at the Earth-Sun L2 point. Incorporating radiometric and angular resolution considerations show that Jovians could be directly detected (5 sigma) in the 0.5 - 1.0 micron band outside of an inner working distance of 5/D with integration times of -10 - 100 hours per observation. The primary considerations for a planet imager are optical wavefront quality due to manufacturing, alignment, structural and thermal considerations. pointing stability and control, and manufacturability of coronagraphic masks and stops to increase the planetary-to- stellar contrast and mitigate against straylight. Previously proposed coronagraphic concepts are driven to extreme tolerances. however. we have developed and studied a mission, telescope and coronagraphic detection concept, which is achievable in the time frame of a Discovery class NASA mission. 2) Science requirements for the James Webb Space Telescope observatory. The James Webb Space Observatory (JWST) is an infrared observatory, which will be launched in 201 1 to an orbit at L2. JWST is a segmented, 18 mirror segment telescope with a diameter of 6.5 meters, and a clear aperture of 25 mA2. The telescope is designed to conduct imaging and spectroscopic observations from 0.6-27 microns. The primary mirror find and understand predicted first light objects, observe galaxies back to their earliest precursors so that we can understand their growth and evolution, unravel the birth and early evolution of stars and planetary systems, and study planetary systems and the origins of life. In this paper we discuss the science goals for JWST in the context of the performance requirements they levy on the observatory.

Clampin, Mark↗
NASA NTRS2003

Life-Prediction Parameters of Sapphire Determined for the Design of a Space Station Combustion Facility Window

To characterize the stress corrosion parameters and predict the life of a sapphire window being considered for use in the International Space Station's Fluids and Combustion Facility, researchers at the NASA Glenn Research Center conducted stress corrosion tests, fracture toughness tests, and reliability analyses, as shown in the figures. Standardized test methods, developed and updated by the author under the auspices of American Society for Testing and Materials, were employed. One interesting finding is that sapphire exhibits a susceptibility to stress corrosion in water similar to that of glass. In addition to generating the stress corrosion parameters and fracture toughness data, closed-form expressions for the variances of the crack growth parameters were derived. The expressions allow confidence bands to be easily placed on life predictions of ceramic components. Brittle materials such as sapphire and quartz are required for windows in a variety of applications such as the Fluids and Combustion Facility. To minimize the launch weight of such facilities, researchers must design the windows to be as lightweight as possible. The safe use of lightweight, brittle windows in structural applications is limited by two factors: low fracture toughness and slow crack growth, or stress corrosion. Stress corrosion of these and other optical materials can occur in relatively common environments, such as humid air. Access to the data has been requested by designers for use in the life prediction of a Northrop Grumman F16 instrument window and a Jet Propulsion Laboratory instrument window. One Space Act Agreement has been formed. Future work includes the measurement of the life of subscale windows.

Salem, Jonathan A.↗
NASA NTRS2023

STXM-C-XANES, IR Microspectroscopy, and Raman Microspectroscopy Analysis of Organic Matter in the Chwichiya 002 C3.00-Ungrouped Chondrite

Chwichiya 002 is a C3.00-ungrouped carbonaceous chondrite discovered in Western Sahara in 2018. The presence of hydrated phases in Chwichiya 002 was not confirmed by XRD analysis, and only a faint water and Si-O band attributed to phyllosilicate were observed by infrared transmission spectroscopy, indicating a very low degree of aqueous alteration (Meteoritical Bulletin, 2020). The structural order of polycyclic aromatic hydrocarbons evaluated by Raman spectroscopy indicates that the effect of thermal metamorphism is less severe than in the Semarkona meteorite, an LL3.00 ordinary chondrite (Meteoritical Bulletin, 2020). Chiwichiya 002 is a very primitive carbonaceous chondrite and an important information source for the early stage of the evolution of organic matter in the solar system. In this study, we investigated the molecular structure and distribution of organic matter in Chiwichiya 002 by Carbon X-ray Absorption Near Edge Structure (C-XANES) analysis using a Scanning Transmission X-ray Microscope (STXM). The STXM-C-XANES analysis has a spatial resolution of 20~100 nm and can observe the spatial distribution of organic materials in microstructures. In addition, to investigate the degree of thermal metamorphism of the organic matter, micro-IR, and micro-Raman spectroscopic analyses were performed. In addition, the Murchison CM2 chondrite was also analyzed for comparison. To evaluate contamination during analytical procedures, antigorite, which was heated in air at 500°C for 5 hours to eliminate organic matter was also analyzed in the same manner. The samples were milled into 100 nm-thick, thin sections using a Focused Ion Beam (FIB), and C-XANES spectra were obtained using the STXM at the High Energy Accelerator Research Organization, Photon Factory (PF), BL-19B. The obtained C-XANES spectra were smoothed and then fitted with Gaussian functions using the method of Le Guillou et al. (2018). The C-XANES showed that the ratio of oxygenated functional group (ketone, phenolic) carbons in Chwichiya 002 was lower than in Murchison, whereas the ratio of aliphatic carbons was almost the same. This may reflect the low degree of aqueous alteration of Chwichiya 002. In addition, contamination peaks were detected at 287.3-287.7 eV and 288.3-288.7 eV in the C-XANES spectra of some of the antigorite samples. The source of these peaks is under investigation. Raman spectroscopic analysis showed that the intensity ratio of the D band to the G band of Chwichiya 002 was slightly higher than that of Murchison. IR absorption spectra showed aromatic absorption at 1630 cm -1 , but there was little absorption due to aliphatic C-H around 2900 cm -1 . These results suggest that the organic matter in Chwichiya 002 may be more heated than in Murchison.

Chwichiya 002↗
NASA NTRS1999

The TRMM Precipitation Radar: Opportunities and Challenges

Although studies on the feasibility of spaceborne weather radar date back to the 1960's, it was only with the launch of the Tropical Rainfall Measuring Mission (TRMM) Satellite in November 1997 that the first weather radar was placed into low earth orbit. The long delay between the initial concept and implementation was caused not only by the demanding requirements of active sensors such as mass, power, and reliability, but because of scientific and technological challenges. For example, the demand for adequate spatial resolution arises from the need to resolve the horizontal structure of convective storm cells and to avoid surface contamination of the rain return at off-nadir angles. To achieve a horizontal resolution on the order of 4 km from low earth orbit with a modest antenna size of 2 m requires the use of a much higher frequency (Ku-band) than those typically used for ground-based weather radars (S- and C-band). Higher frequencies are subject to higher attenuation. As Hitschfeld and Bordan (1954) showed in their classic paper, attenuation correction with a single-wavelength radar is inherently unstable at high attenuations unless the drop size distribution and the radar constant are known precisely. Since these conditions are seldom met, much work over the last decade has been devoted to formulating and testing alternative methods of attenuation correction. The operational method used in the TRMM radar processing is discussed in section 3 of the paper.

Meneghini, R.↗
NASA NTRS2010

Improving Global Mass Flux Solutions from Gravity Recovery and Climate Experiment (GRACE) Through Forward Modeling and Continuous Time Correlation

We describe Earth's mass flux from April 2003 through November 2008 by deriving a time series of mas cons on a global 2deg x 2deg equal-area grid at 10 day intervals. We estimate the mass flux directly from K band range rate (KBRR) data provided by the Gravity Recovery and Climate Experiment (GRACE) mission. Using regularized least squares, we take into account the underlying process dynamics through continuous space and time-correlated constraints. In addition, we place the mascon approach in the context of other filtering techniques, showing its equivalence to anisotropic, nonsymmetric filtering, least squares collocation, and Kalman smoothing. We produce mascon time series from KBRR data that have and have not been corrected (forward modeled) for hydrological processes and fmd that the former produce superior results in oceanic areas by minimizing signal leakage from strong sources on land. By exploiting the structure of the spatiotemporal constraints, we are able to use a much more efficient (in storage and computation) inversion algorithm based upon the conjugate gradient method. This allows us to apply continuous rather than piecewise continuous time-correlated constraints, which we show via global maps and comparisons with ocean-bottom pressure gauges, to produce time series with reduced random variance and full systematic signal. Finally, we present a preferred global model, a hybrid whose oceanic portions are derived using forward modeling of hydrology but whose land portions are not, and thus represent a pure GRACE-derived signal.

Sabaka, T. J.↗
DOE OSTI2020

High Thermopower in a Zn-Based 3D Semiconductive Metal–Organic Framework

Conductive metal–organic frameworks (c-MOFs) have drawn increasing attention for their outstanding performance in energy-related applications. However, the majority of reported c-MOFs are based on 2D structures. Synthetic strategies for 3D c-MOFs are under-explored, leaving unrealized functionality in both their structures and properties. Here in this paper we report a 3D c-MOF, namely Zn-HAB, designed through topological analysis. Comprising a nitrogen donor linker, hexaaminobenzene, and Zn(II) node, Zn-HAB was found to have microporosity with a band-gap of approximately 1.68 eV. The relatively large band-gap results in a modest conduc-tivity of 0.86 mS cm -1 and a high Seebeck coefficient of 200 μV K -1 at 300 K. The power factor of 3.44 nW m -1 K -2 constitutes the first report of the thermoelectric properties of an intrinsically conductive 3D MOF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Large-area epitaxial growth of InAs nanowires and thin films on hexagonal boron nitride by metal organic chemical vapor deposition

Large-area epitaxial growth of III–V nanowires and thin films on van der Waals substrates is key to developing flexible optoelectronic devices. In our study, large-area InAs nanowires and planar structures are grown on hexagonal boron nitride templates using metal organic chemical vapor deposition method without any catalyst or pre-treatments. The effect of basic growth parameters on nanowire yield and thin film morphology is investigated. Under optimised growth conditions, a high nanowire density of 2.1 x 10 9 cm -2 is achieved. A novel growth strategy to achieve uniform InAs thin film on h-BN/SiO 2 /Si substrate is introduced. The approach involves controlling the growth process to suppress the nucleation and growth of InAs nanowires, while promoting the radial growth of nano-islands formed on the h-BN surface. A uniform polycrystalline InAs thin film is thus obtained over a large area with a dominant zinc-blende phase. The film exhibits near-band-edge emission at room temperature and a relatively high Hall mobility of 399 cm -2 /(Vs). This work suggests a promising path for the direct growth of large-area, low-temperature III–V thin films on van der Waals substrates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Transition metal impurities in silicon: computational search for a semiconductor qubit

Abstract Semiconductors offer a promising platform for physical implementation of qubits, but their broad adoption is presently hindered by limited scalability and/or very low operating temperatures. Learning from the nitrogen-vacancy centers in diamond, our goal is to find equivalent optically active point defect centers in crystalline silicon, which could be advantageous for their scalability and integration with classical devices. Transition metal (TM) impurities in silicon are common paramagnetic deep defects, but a comprehensive theoretical study of the whole 3 d series that considers generalized Koopmans’ condition is missing. We apply the HSE06(+U) method to examine their potential as optically active spin qubits and identify seven TM impurities that have optically allowed triplet–triplet transitions within the silicon band gap. These results provide the first step toward silicon-based qubits with higher operating temperatures for quantum sensing. Additionally, these point defects could lead to spin-photon interfaces in silicon-based qubits and devices for mid-infrared free-space communications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Full-polarization millimeter wavelength variability of Sagittarius A * during the 2018 EHT campaign

Context. Sagittarius A* (Sgr A*), the supermassive black hole at the center of the Milky Way, provides a unique laboratory to study accretion dynamics and plasma processes near the event horizon. Aims. We investigated the variability and polarization properties of Sgr A* using ALMA observations during the 2018 Event Horizon Telescope campaign. Methods. We analyzed high-cadence full-polarization light curves from ALMA at millimeter wavelengths, performed time-series analysis, and investigated the temporal behavior during an X-ray flare observed by Chandra on 2018 April 24. The variability characteristics are compared with expectations from standard accretion flow models. Results. We find low variability in total intensity (σ/μ < 10%), but significantly higher variability in linear and circular polarization (∼30% and ∼50%, respectively). A time-series analysis reveals red-noise variability, with power spectral densities between −2 and −3 across all Stokes parameters. Polarized intensity shows stable intra-day timescales, while total intensity exhibits more variable timescales, suggesting distinct emission regions, with polarization likely arising from a coherent structure. On April 24, a statistically significant inter-band delay in polarized intensity coincides with a near-simultaneous X-ray and millimeter peak that deviates from the typical delayed flare scenario. This event also features enhanced millimeter variability and coherent polarization loop evolution. The observed simultaneity challenges standard models of transient synchrotron emission with cooling delays, favoring instead a scenario of continuous energy injection in an optically thin region. Conclusions. Our results offer new constraints on the physical mechanisms driving variability in Sgr A*, and provide key observational input for refining theoretical models of accretion and plasma behavior in the vicinity of supermassive black holes.

Galaxy: center↗
DOE OSTI2024

Visualisation and outlier detection for probability density function ensembles

Abstract Exploratory data analysis (EDA) for functional data—data objects where observations are entire functions—is a difficult problem that has seen significant attention in recent literature. This surge in interest is motivated by the ubiquitous nature of functional data, which are prevalent in applications across fields such as meteorology, biology, medicine and engineering. Empirical probability density functions (PDFs) can be viewed as constrained functional data objects that must integrate to one and be nonnegative. They show up in contexts such as yearly income distributions, zooplankton size structure in oceanography and in connectivity patterns in the brain, among others. While PDF data are certainly common in modern research, little attention has been given to EDA specifically for PDFs. In this paper, we extend several methods for EDA on functional data for PDFs and compare them on simulated data that exhibit different types of variation, designed to mimic that seen in real‐world applications. We then use our new methods to perform EDA on the breakthrough curves observed in gas transport simulations for underground fracture networks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Deformation behavior of annealed Cu64Zr36 metallic glass via molecular dynamics simulations

In the present work, we investigate the isothermal annealing process of Cu 64 Zr 36 metallic glass (MG) by means of molecular dynamics (MD) simulations, and characterize the compression properties under different temperatures and compressive rates. The pair distribution functions, the bond-orientational order, and the cluster-type index method are modeled and analyzed to characterize changes in the structure. Results of the modeling and analysis reveal that the MgZn 2 -type Laves, MgCu 2 -type Laves and five-fold local symmetry structures can be formed during the isothermal holding at 950 K. Study on the compression properties shows that at a fixed strain rate, the yield strength and yield drop all increase with decreasing temperature. At a fixed temperature, however, the increase of the strain rate leads to a noticeable increase in the yield strength at 600 K, but has little effect on yield strength at 10 K. Moreover, the modeling and analysis of the structure at a temperature of 10 K and strain-rate of 5 × 10 7 s -1 demonstrate that the order-disorder transformation initiates the shear band.

36 MATERIALS SCIENCE↗
NASA NTRS2003

Fine-grained Goethite as a Precursor for Martian Gray Hematite

Several isolated deposits of gray, crystalline hematite on Mars were discovered using data returned from the Thermal Emission Spectrometer (TES) instrument aboard the Mars Global Surveyor spacecraft. Christensen et al. provided five testable hypotheses regarding the formation of crystalline hematite on Mars: 1) low-temperature precipitation of Fe oxides/hydroxides from standing, oxygenated, Fe-rich water, followed by subsequent alteration to gray hematite, 2) low-temperature leaching of iron-bearing silicates and other materials leaving a Fe-rich residue laterite-style weathering) which is subsequently altered to gray hematite, 3) direct precipitation of gray hematite from Fe-rich circulating fluids of hydrothermal or other origin, 4) formation of gray hematitic surface coatings during weathering, and 5) thermal oxidation of magnetite-rich lavas. Since this initial work, several authors have examined the hematite deposits to determine their formation mechanism. Lane et al. cited the absence of a 390/ cm absorption in the martian hematite spectrum as evidence for platy hematite grains. Their model for the formation of the deposits includes deposition of any of a variety of iron oxides or oxyhydroxides by aqueous or hydrothermal fluids, burial and metamorphosis to gray platy hematite grains, and exhumation in recent times. Based on a detailed geomorphic examination of the Sinus Meridiani region, Hynek et al. conclude that the most likely method of hematite formation was either emplacement by a hydrothermal fluid or oxidation of a magnetite-rich pyroclastic deposit. Similarly, Arvidson et al., favor a model involving the alteration of pyroclastic deposits by aqueous or hydrothermal fluids. Finally, based on geochemical modeling and an examination of Aram Chaos, Catling and Moore favor emplacement by hydrothermal fluids with a minimum temperature of 100 C. Comparison of the average martian hematite spectrum measured by TES to hematite emissivity spectra for a variety of naturally occurring hematites shows small but potentially important differences. In particular, band shapes, positions and relative band emissivities of hematite spectra vary over the range of samples. These differences imply that the natural variability of thermal infrared hematite spectra has not been fully characterized, especially with respect to the reaction pathway and crystal structure.

T D Glotch↗
NASA NTRS2005

Interstellar PAH in the Laboratory and in Space. What have we Learned from the New Generation of Laboratory and Observational Studies?

Polycyclic Aromatic Hydrocarbons (PAHs) are an important and ubiquitous component of carbon-bearing materials in space. PAHs are the best-known candidates to account for the IR emission bands (UIR bands) and PAH spectral features are now being used as new probes of the ISM. PAHs are also thought to be among the carriers of the diffuse interstellar absorption bands (DIBs). In the model dealing with the interstellar spectral features, PAHs are present as a mixture of radicals, ions and neutral species. PAH ionization states reflect the ionization balance of the medium while PAH size, composition, and structure reflect the energetic and chemical history of the medium. A major challenge for laboratory astrophysics is to reproduce (in a realistic way) the physical conditions that exist in the emission and/or absorption interstellar zones. An extensive laboratory program has been developed at NASA Ames to assess the physical and chemical properties of PAHs in such environments and to describe how they influence the radiation and energy balance in space and the interstellar chemistry. In particular, laboratory experiments provide measurements of the spectral characteristics of interstellar PAH analogs from the ultraviolet and visible range to the infrared range for comparison with astronomical data. This paper will focus on the recent progress made in the laboratory to measure the direct absorption spectra of neutral and ionized PAHs in the gas phase in the near-UV and visible range in astrophysically relevant environments. These measurements provide data on PAHs and nanometer-sized particles that can now be directly compared to astronomical observations. The harsh physical conditions of the IS medium - characterized by a low temperature, an absence of collisions and strong VUV radiation fields - are simulated in the laboratory by associating a molecular beam with an ionizing discharge to generate a cold plasma expansion. PAH ions are formed from the neutral precursors in an isolated environment at low temperature (of the order of 100 K). The spectra of neutral and ionized PAHs are measured using the high sensitivity methods of cavity ring down spectroscopy (CRDS). These experiments provide unique information on the spectra of free, cold large carbon molecules and ions in the gas phase. Intrinsic band profiles and band positions of cold gas-phase PAHs can now be measured with high-sensitivity spectroscopy and directly compared to the astronomical data. The electronic bands measured for ionized PAH are found to be intrinsically broad (about 20 cm(sup -1)) while the bands associated with the neutral precursors are narrower (of the order of 2 - 10 cm(sup -1)). The laboratory data are discussed and compared with recent astronomical spectra of large and narrow DIBs and with the spectra of circumstellar environments of selected carbon stars and the implications for the interstellar PAH population are derived. Preliminary results also show that carbon nanoparticles are formed during the short residence time of the precursors in the plasma.

Salama, Farid↗