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At least 973 records · Page 54

Chemical-ionization visible and ultraviolet gas lasers: A concept

Charge-transfer reactions or Penning ionization reactions are used to produce population inversions between electronic states of molecular ions which should result in stimulated emission in ultraviolet and visible regions. Such lasers could be used in study of short-lived reaction intermediates, crystal structure and scattering, and photolysis.

Laudenslager, J. B.↗

Technology requirements for an orbital navigation/position finding system

The concept of an orbiting personal navigation system as a possible application for a large space structure is considered. The navigation system would have to be part of a large, integrated, multifunction Information Service Platform to justify its complexity and assured use by a large segment of the civilian population. The navigation configuration is a large cruciform which utilizes a linear phased array antenna design. The two antenna arms generate narrow, orthogonal beam patterns on the ground which are electrically scanned east to west and south to north. A passive ground receiver detecting the beam passage determines the user's position in earth longitude and latitude coordinates.

Lang, A. L., Jr.↗

Infrared imaging and photometry of Comet Giacobini-Zinner

Infrared images and photometry were obtained to determine the spatial distribution and physical characteristics (temperature, albedo, size distribution, total mass, etc.) of the grains in the coma of Comet GZ. A 10.8 m image of Comet GZ obtained on August 4 represents the first groundbased thermal-infrared image of a Comet. Among the most significant results are: (1)An estimate of the number of grains that the ICE spacecraft must have encountered, which led the plasma wave team to conclude that they could only detect impacts on the antennae and not on the whole body of the ICE spacecraft; (2)The discovery of a population of large grains (radius > 100 micrometer), not observed in most other comets, which formed a curved tail near the nucleus (within 80 arcsec or 34,000 km); and (3)the detection of structure in the spatial distribution in the coma of the particle albedo, which was tentatively attributed to the presence of very fluffy grains which are likely to have multiple internal scattering of incident sunlight. The albedo map of Comet GZ was obtained by combining the 10.8 micrometer image shown with a simultaneous image taken at 0.68 micrometer, a bandpass which isolates the scattered continuum.

Campins, H.↗

Asteroid volatiles inventory

Asteroids appear in light of telescopic and meteority studies to be the most accessible repositories of early solar system history available. In the cooler regions of the outer asteroid belt, apparently unaffected by severe heating, the C, P, and D populations appear to harbor significant inventories of volatiles; the larger primordial belt population may have had an even greater percentage of volatile-rich, low-albedo asteroids, constituting a potent asteroid for veneering early terrestrial planet atmospheres. The volatile-rich asteroids contain carbon, structurally bound and adsorbed water, as well as remnants of interstellar material predating the solar system.

Lebofsky, L. A.↗

The global distribution of giant radiating dike swarms on Venus: Implications for the global stress state

Magellan radar data of Venus reveal 163 large radial lineament systems composed of graben, fissure, and fracture elements. On the basis of their structure, plan view geometry, and volcanic associations, at least 72% are interpreted to have formed primarily through subsurface dike swarm emplacement, the remainder through uplift or a combination of these two mechanisms. The population of swarms is used to determine regional and global stress orientation. The stress configuration recorded from 330-210 deg E (Aphrodite Terra) is best explained by isostatic compensation of existing long wavelength topography or coupling between mantle flow and the lithosphere. The rest are correlated with concentrations of rifting and volcanism in the Beta-Atla-Themis region. The global stress field on Venus is different than that of Earth, where plate boundary forces dominate.

Grosfils, Eric B.↗

Initial Biological Damage from Space Radiation: Implications for Development of Biological Countermeasures

Astronauts are exposed to high-energy nuclear particles originating from the galactic cosmic rays, high-energy protons trapped in the Earth's magnetic field or solar particle events, and secondary radiation produced by nuclear reactions. Important differences between conventional radiation including X-rays or gamma-rays, and high-energy nuclei occur at the level of initial damage to DNA and other potential biological target molecules, and to tissues. Such differences include a large fraction of the initial damage from high charge and energy (HZE) nuclear particles manifested as irreparable lesions including small- and large-scale DNA deletions. Also, low dose-rate exposures in space result in a heterogeneous population of damaged cells distinct from energetic photon irradiation of tissue. We present an overview of the initial biological damage and dose and dose-rate effects produced by ionizing radiation using track structure and nuclear reaction models. Implications of the differences in cellular and tissue damage between conventional radiation and space radiation for the development of biological countermeasures are discussed.

Cucinotta, Francis A.↗

Near-Infrared Laser Pumped Intersubband THz Laser Gain in InGaAs-AlAsSb-InP Quantum Wells

We investigate the possibility of using InGaAs-AlAsSb-InP coupled quantum wells to generate THz radiation by means of intersubband optical pumping. We show that large conduction band offsets of these quantum wells make it possible to use conventional near-infrared diode lasers around 1.55 micron as pump sources. Taking into account the pump-probe coherent interaction and the optical nonlinearity for the pump field, we calculate the THz gain of the quantum well structure. We show that resonant Raman scattering enhances the THz gain at low and moderate optical pumping levels. When the pump intensity is strong, the THz gain is reduced by pump-induced population redistribution and pump-probe coherent interactions.

Liu, An-Sheng↗

Tropical Cyclone Information System

The JPL Tropical Cyclone Infor ma tion System (TCIS) is a Web portal (http://tropicalcyclone.jpl.nasa.gov) that provides researchers with an extensive set of observed hurricane parameters together with large-scale and convection resolving model outputs. It provides a comprehensive set of high-resolution satellite (see figure), airborne, and in-situ observations in both image and data formats. Large-scale datasets depict the surrounding environmental parameters such as SST (Sea Surface Temperature) and aerosol loading. Model outputs and analysis tools are provided to evaluate model performance and compare observations from different platforms. The system pertains to the thermodynamic and microphysical structure of the storm, the air-sea interaction processes, and the larger-scale environment as depicted by ocean heat content and the aerosol loading of the environment. Currently, the TCIS is populated with satellite observations of all tropical cyclones observed globally during 2005. There is a plan to extend the database both forward in time till present as well as backward to 1998. The portal is powered by a MySQL database and an Apache/Tomcat Web server on a Linux system. The interactive graphic user interface is provided by Google Map.

Li, P. Peggy↗

Satellite Sensor Requirements for Monitoring Essential Biodiversity Variables of Coastal Ecosystems

The biodiversity and high productivity of coastal terrestrial and aquatic habitats are the foundation for important benefits to human societies around the world. These globally distributed habitats need frequent and broad systematic assessments, but field surveys only cover a small fraction of these areas. Satellite-based sensors can repeatedly record the visible and near-infrared reflectance spectra that contain the absorption, scattering, and fluorescence signatures of functional phytoplankton groups, colored dissolved matter, and particulate matter near the surface ocean, and of biologically structured habitats (floating and emergent vegetation, benthic habitats like coral, seagrass, and algae). These measures can be incorporated into Essential Biodiversity Variables (EBVs), including the distribution, abundance, and traits of groups of species populations, and used to evaluate habitat fragmentation. However, current and planned satellites are not designed to observe the EBVs that change rapidly with extreme tides, salinity, temperatures, storms, pollution, or physical habitat destruction over scales relevant to human activity. Making these observations requires a new generation of satellite sensors able to sample with these combined characteristics: (1) spatial resolution on the order of 30 to 100-m pixels or smaller; (2) spectral resolution on the order of 5 nm in the visible and 10 nm in the short-wave infrared spectrum (or at least two or more bands at 1,030, 1,240, 1,630, 2,125, and/or 2,260 nm) for atmospheric correction and aquatic and vegetation assessments; (3) radiometric quality with signal to noise ratios (SNR) above 800 (relative to signal levels typical of the open ocean), 14-bit digitization, absolute radiometric calibration less than 2%, relative calibration of 0.2%, polarization sensitivity less than 1%, high radiometric stability and linearity, and operations designed to minimize sunglint; and (4) temporal resolution of hours to days. We refer to these combined specifications as H4 imaging. Enabling H4 imaging is vital for the conservation and management of global biodiversity and ecosystem services, including food provisioning and water security. An agile satellite in a 3-d repeat low-Earth orbit could sample 30-km swath images of several hundred coastal habitats daily. Nine H4 satellites would provide weekly coverage of global coastal zones. Such satellite constellations are now feasible and are used in various applications.

aquatic↗

Spectroscopy and dynamics of the v = 1 levels derived from the OH(D) stretching modes in the I‾∙HDO complex using CW and time-resolved, resonant two-photon infrared excitation of the cryogenically cooled ions

The vibrational energy levels of the two isotopomers adopted by the I‾∙HDO ion-molecule complex occur such that the OH(D) stretching fundamentals span its dissociation energy, thus enabling a spectroscopic investigation of the dynamics displayed by a system prepared in the vicinity of the dissociation threshold. This regime is explored using infrared photoexcitation of the mass-selected complexes cooled in a cryogenic radiofrequency (Paul) ion trap. Survey spectra are obtained at modest resolution using two-color, IR-IR photodissociation with nanosecond lasers to establish the level structure and unimolecular decay dynamics of the v = 1 and 2 levels of the bound OH(D) oscillator. The v = 1 levels are prepared by fixed frequency excitation in the trap and the absorption spectra arising from this excited state are probed by photofragmentation of the complex with a second pulsed IR laser after a variable delay time (0 to 20 ms). The transitions to levels above the dissociation threshold for I‾ + HDO formation are observed to be sharp (~5 cm -1 FWHM). At low pressure, the bound OD (v = 1) population relaxes very slowly (~3 ms), consistent with resonant fluorescence in the IR. The collisional quenching rate constants of this level by the He buffer gas were estimated to be on the order 3 x 10 -12 cm 3 /s based on a crude Stern-Volmer analysis. Here, the rotational fine structure and linewidths (≲0.01 cm -1 FWHM) arising from transitions of the non-bonded OH stretch fundamental of the OD-bound isotopomer that lies just above the dissociation energy are determined using single photon photodissociation by excitation of the 10 K ions with a single-frequency, CW IR laser in the ion trap.

Cryogenic ion infrared spectroscopy↗

Novel Shock Microstructures in Accessory Minerals from the Haughton Dome, Devon Island, Nunavut, Canada

The 23 km-diameter, ca. 24 Ma Haughton Dome impact structure in the Canadian Arctic on Devon Island, Nunavut (89deg41′W, 75deg22′N) occurred within a two layered target composed of a shallowly-dipping ~1700 m thick succession of Paleozoic limestones and evaporates overlying ca.1.9 Ga high grade gneisses [1, 2]. Within the structure a well preserved impact melt bearing breccia unit contains a variety of shocked clasts from the pre-impact sediments and basement gneisses [3]. Due to their high level of preservation a variety of studies have been undertaken on the clast population of the melt bearing breccia, including characterization of shock within the accessory minerals of the basement lithologies [4, 5]. This study presents high resolution electron backscatter diffraction (EBSD) microstructural data for zircon and monazite from historic samples of the basement gneiss, in which bulk shock pressures have been previously constrained based on major phases [4, 6]. Shocked zircon and monazite grains have been investigated from shock stage 1b (sample 72110), 2 (7273) and 3 (7192, Dig-9) [4, 6]. At lower shock levels zircon displays planar microstructures consistent with mechanical shock {112} twin formation [7] and deviatoric transformation to the high pressure polymorph reidite [8]. Zircon grains from shock stage three show a more chaotic microstructure with multiple orientations of tightly spaced sets of reidite that are variably recrystallized to zircon neoblasts. Monazite from lower shock stages contains a number of mechanical twin orientations that are indicative of shock deformation [9]. At higher shock pressures a lath like structure of interlocking twin orientations has been identified. This microstructure is suggestive of a reversion transformation from a high pressure polymorph [10] and is the first evidence for the transformation of monazite during shock.

Erickson, Timmons M.↗

Water Structure and Dynamics Near the Surfaces of Silicalite-1

Zeolites are crystalline microporous aluminosilicates that are commonly used as industrial sorbents and membranes. Solvent structuring and dynamics near zeolite crystal surfaces are thought to influence interfacial transport and molecular recognition processes, as well as fundamental aspects of their crystallization from solution. Here, in this work, we use molecular dynamics (MD) simulations to investigate the behavior of interfacial water near the exposed (010), (100), and (101) crystal faces of silicalite-1, one of the most widely studied zeolites. The MD simulations reveal that water’s translational and orientational order is strongly influenced by the distinct corrugations, pore apertures, and functional group distributions presented on each surface. Specifically, we observe two distinct hydration layers near each surface. Water molecules in the contact layer are hydrogen bonded to two or three exposed surface silanol groups. The relative populations of water molecules that are doubly and triply hydrogen bonded to the surface strongly depend on the distribution of the exposed silanols. The interactions with exposed surface silanols also influence water’s local orientational order and distribution across each surface. We also show that the structuring of the solvent near the different faces of silicalite-1 strongly impacts the interfacial dynamics. The translational and orientational relaxation dynamics of water are slowest in the contact layers and correlate with structural ordering near each face.

42 ENGINEERING↗

Virtual Fit Assessment: Validation using Historical Spacesuit Fit Data

Virtual fit tests using 3D body scans have provided a cost-effective means to predictively assess spacesuit fit for the current and future astronaut population. However, fit is a complex issue influenced by physical interferences, subjective preference, and many other factors. Fit can substantially differ between the type of hardware, environmental conditions, and tasks being performed. Namely, fit changes across different contexts, such as 3D printed mockup evaluations, pressurized one-g suited test events, neutral buoyancy and other training events, and flight extravehicular activities (EVA). These challenges make it difficult to validate virtual fit frameworks to physical suit sizing. This study proposes a new method of validation using the wealth of historically archived suit fit data. Physically Assessed Fit (PAF) data was assessed from astronauts and test volunteers who wore the legacy Extravehicular Mobility Unit (EMU). The data was collected during the past decades at NASA and considered to be most reliable and dependable. Each participant was 3D scanned for body shape and spacesuit-critical dimensions were measured per NASA guidelines. The participants’ size preference for hard upper torso (HUT) assembly was retrieved from their pressurized suit fit check records. Fit assessments were also updated after one-g EVA training, neutral buoyancy training, and EVA flights. Virtually Assessed Fit (VAF) was done by overlaying the CAD model of a HUT with the 3D body scans of the PAF participants. Each body scan was iteratively adjusted for the position inside the HUT to minimize the suit-to-body contact interference while satisfying a set of prescribed requirements. Then the residual contact area, depth, and volume were quantified as VAF metrics. This process was repeated for the different HUT sizes, including medium, large, and extra-large. Statistical modeling is currently in progress and will be presented at the conference. A statistical classifier will be developed to predict a fit probability for different HUT sizes as a function of the corresponding person’s VAF metrics. The HUT size with the highest fit probability will constitute the most likely size selection for the person, and the prediction will be compared against the corresponding PAF data. The participant data will be randomly pre-grouped into either a model development or validation subset. While the model development subset will be used to build the probability model, the validation subset will be used to assess the model accuracy. Also, the locations and magnitudes of suit-body-contacts will be estimated from VAF. This information can identify the critical suit geometry and body shape features that influence suit fit. The variations found in PAF size selections by subjects with similar VAF metrics will allow for investigations into subjective preferences, for example, tight versus loose fit. Overall, this study is expected to provide a structured validation of a virtual suit fit framework, which has not been possible in the past. The outcome can also provide useful insights and potential limitations for interpreting virtual fit tests for future spacesuit designs and population accommodation.

Han Kim↗

An Ab Initio Electronic Structure Investigation of the Ground and Excited States of ScH + , YH + , and LaH +

Multireference configuration interaction (MRCI), Davidson-corrected MRCI (MRCI+Q), coupled-cluster singles, doubles, and perturbative triples [CCSD(T)], and frozen-core full configuration interaction (fcFCI) calculations were carried out using large, correlation-consistent basis sets to investigate the excited states of the Sc atom and the spin–free and spin–orbit coupled potential energy profiles, energetics, spectroscopic constants, and electron populations of low-lying states of MH + (M = Sc, Y, La). The core electron correlation effects, complete basis set effects, and spin–orbit coupling effects were also evaluated. The first four electronic states of all MH + are 1 2 Δ, 1 2 Σ + , 1 2 Π, and 2 2 Σ + with 1σ 2 1δ 1 , 1σ 2 2σ 1 , 1σ 2 1π 1 , and 1σ 2 3σ 1 single-reference electron configurations, respectively. These states of MH + can be represented by the M 2+ H – ionic structure. The ground states of ScH + , YH + , and LaH + are 1 2 Δ 3/2 , 1 2 Σ + 1/2 , and 1 2 Δ 3/2 with 55.45, 60.54, and 62.34 kcal/mol bond energies, respectively. The core electron correlation was found to be vital for gaining accurate predictions on the ground and excited state properties of MH + . The spin–orbit coupling effects are minor for ScH + but become substantial moving to YH + and LaH + . Overall, the results of this work are in good agreement with the limited set of experimental findings of MH + available in the literature and will be of use for future investigations. Furthermore, the theoretical approaches, findings, and trends reported here are expected to aid studies of similar species.

74 ATOMIC AND MOLECULAR PHYSICS↗

Additional constraints on circumstellar disks in the Trapezium Cluster

We discuss the new constraints on the population of compact ionized sources in the Trapezium Cluster thought to arise from the ionization by the central OB stars of circumstellar disks around low-mass pre-main sequence stars. We present new Hubble Space Telescope (HST) Planetary Camera observations of two of these candidate disk sources, resolving extended nebulosity around them. One source shows a small-scale (greater than or approximately = 100 AU) bow-shock structure, previously seen on larger scales by O'Dell et al. We show that the circumstellar disk model is the most likely one for the majority of sources, although is remains plausible that some of the larger objects could be equilibrium globules. We combine the most complete censuses of compact radio sources and stars in the core region to derive the fraction of the stellar population that may be associated with a circumstellar disk. Our estimate of 25%-75% is comparable to that found for pre-main sequence (PMS) stars in the Taurus-Auriga dark clouds, indicating that the dense cluster environment of the Trapezium has not drastically reduced the frequency of disks seen around PMS stars.

Stauffer, John R.↗

Chemical Cartography with APOGEE: Mapping Disk Populations with a 2-process Model and Residual Abundances

We apply a novel statistical analysis to measurements of 16 elemental abundances in 34,410 Milky Way disk stars from the final data release (DR17) of APOGEE-2. Building on recent work, we fit median abundance ratio trends [X/Mg] versus [Mg/H] with a 2-process model, which decomposes abundance patterns into a "prompt" component tracing core-collapse supernovae and a "delayed" component tracing Type Ia supernovae. For each sample star, we fit the amplitudes of these two components, then compute the residuals Δ[X/H] from this two-parameter fit. The rms residuals range from ~0.01–0.03 dex for the most precisely measured APOGEE abundances to ~0.1 dex for Na, V, and Ce. The correlations of residuals reveal a complex underlying structure, including a correlated element group comprised of Ca, Na, Al, K, Cr, and Ce and a separate group comprised of Ni, V, Mn, and Co. Selecting stars poorly fit by the 2-process model reveals a rich variety of physical outliers and sometimes subtle measurement errors. Residual abundances allow for the comparison of populations controlled for differences in metallicity and [α/Fe]. Relative to the main disk (R = 3–13 kpc), we find nearly identical abundance patterns in the outer disk (R = 15–17 kpc), 0.05–0.2 dex depressions of multiple elements in LMC and Gaia Sausage/Enceladus stars, and wild deviations (0.4–1 dex) of multiple elements in ω Cen. The residual abundance analysis opens new opportunities for discovering chemically distinctive stars and stellar populations, for empirically constraining nucleosynthetic yields, and for testing chemical evolution models that include stochasticity in the production and redistribution of elements.

79 ASTRONOMY AND ASTROPHYSICS↗

Ground and excited electronic structures of electride and alkalide units: The cases of Metal-Tren, -Azacryptand, and -TriPip222 complexes

A systematic electronic structure analysis was conducted for M(L) n molecular electrides and their corresponding alkalide units M(L) n @M' (M/M' = Na, K; L = Tren, Azacryptand, TriPip222; n = 1, 2). All complexes belong to the “superalkali” category due to their low ionization potentials. The saturated molecular electrides display M+(L) n - form with a greatly diffuse quasispherical electron cloud. They were identified as “superatoms” considering the contours of populating atomic-type molecular orbitals. The observed superatomic Aufbau order of M(Tren) 2 is 1S, 1P, 1D, 1F, 2S, 2P, and 1G and it is consistent with those of M(Azacryptand) and M(TriPip222) up to the analyzed 1F level. Their excitation energies decrease gradually moving from M(Tren) 2 to M(Azacryptand) and to M(TriPip222). The studied alkalide complexes carry [M(L) n ] + @M' - ionic structure and their dissociation energies vary in the sequence of K(L) n @Na > Na(L) n @Na > K(L) n @K > Na(L) n @K. Similar to molecular electrides, the anions of alkalide units occupy electrons in diffuse Rydberg-like orbitals. In this work, excited states of [M(L) n @M'] 0/+/- and their trends are also analyzed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ion Pairing and Redissociaton in Low-Permittivity Electrolytes for Multivalent Battery Applications

Detailed speciation of electrolytes as a function of chemical system and concentration provides the foundation for understanding bulk transport as well as possible decomposition mechanisms. In particular, multivalent electrolytes have shown a strong coupling between anodic stability and solvation structure. Furthermore, solvents that are found to exhibit reasonable stability against alkaline-earth metals generally exhibit low permittivity, which typically increases the complexity of the electrolyte species. To improve our understanding of ionic population and associated transport in these important classes of electrolytes, the speciation of Mg(TFSI)2 in monoglyme and diglyme systems is studied via a multiscale thermodynamic model using first-principles calculations for ion association and molecular dynamics simulations for dielectric properties. The results are then compared to Raman and dielectric relaxation spectroscopies, which independently confirm the modeling insights. We find that the significant presence of free ions in the low-permittivity glymes in the concentration range from 0.02 to 0.6 M is well-explained by the low-permittivity redissociation hypothesis. Here, salt speciation is largely dictated by long-range electrostatics, which includes permittivity increases due to polar contact ion pairs. The present results suggest that other low-permittivity multivalent electrolytes may also reach high conductivities as a result of redissociation.

25 ENERGY STORAGE↗