Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First-Principles and Classical Reactive Molecular Dynamics
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catalysis (heterogeneous)↗
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Recombining Plasma and Gamma-Ray Emission in the Mixed-morphology Supernova Remnant 3C 400.2
3C 400.2 belongs to the mixed-morphology supernova remnant class, showing center-filled X-ray and shell-like radio morphology. We present a study of 3C 400.2 with archival Suzaku and Fermi -LAT observations. We find recombining plasma (RP) in the Suzaku spectra of north–east and south–east regions. The spectra of these regions are well described by two-component thermal plasma models: the hard component is in RP, while the soft component is in collisional ionization equilibrium (CIE) conditions. The RP has enhanced abundances, indicating that the X-ray emission has an ejecta origin, while the CIE has solar abundances associated with the interstellar material. The X-ray spectra of north–west and south–west regions are best fitted by a two-component thermal plasma model: an ionizing and a CIE plasma. We have detected GeV gamma-ray emission from 3C 400.2 at the level of ∼5 σ , assuming a point-like source model with a power-law (PL) type spectrum. We have also detected a new GeV source at the level of ∼13 σ, assuming a Gaussian extension model with a PL-type spectrum in the neighborhood of the supernova remnant. We report the analysis results of 3C 400.2 and the new extended gamma-ray source, and discuss the nature of gamma-ray emission of 3C 400.2 in the context of existing NANTEN CO data, Dominion Radio Astrophysical Observatory H i data, and the Suzaku X-ray analysis results.
79 ASTRONOMY AND ASTROPHYSICS↗
Single isotope fractionation of (16)O(-) implications for early history of solar system
Chemical fractionation processes are investigated with emphasis on selective single isotope fractionation in polyisotopic systems, particularly in oxygen. The related temperature parameters of meteoritic condensates and of their source medium are investigated by a thermometric method that is independent of assumptions regarding temperatures and pressures in the solar nebula. The crucial nonlinear chemical fractionation of O-16 was demonstrated experimentally. The effect was achieved in condensed CO2 formed from CO with C-12 O-16 selectively excited by H Ly alpha. The effect was verified by mass spectrometric measurements. The meteorite paleotemperature estimates were advanced from defining only thermal exposure to evaluating time and temperature independently. Grain temperatures at condensation of refractory inclusion materials are indicated to be less than 900 K in agreement with radiation temperature considerations and observations in circumstellar dust shells.
Arrhenius, G.↗
Radial diffusion models of energetic electrons and Jupiter's synchrotron radiation. 2: Time variability
We used a radial diffusion code for energetic electrons in Jupiter's magnetosphere to investigate variations in Jupiter's radio emission due to changes in the electron phase space density at L shells between 6 and 50, and due to changes in the radial diffusion parameters. We suggest that the observed variations in Jupiter's radio emission are likely caused by changes in the electron phase space density at some boundary L(sub 1) is greater than 6, if the primary mode of transport of energetic electrons is radial diffusion driven by fluctuating electric and/or magnetic fields induced by upper atmospheric turbulence. We noticed an excellent empirical correlation, both in phase and relative amplitude, between changes in the solar wind ram pressure and Jupiter's synchrotron radiation if the electron phase space density at the boundary L(sub 1) (L(sub 1) is approximately equal to 20-50) varies linearly with the square root of the solar wind ram pressure, f is approximately (N(sub s)nu(exp 2 sub s))(exp 1/2). The calculations were carried out with a diffusion coefficient D(sub LL) = D(sub n)L(exp n) with n = 3. The diffusion coefficient which best fit the observed variations in Jupiter's synchrotron radiation D(sub 3) = 1.3 +/- 0.2 x 10(exp -9)/s is approximately 0.041/yr, which corresponds to a lagtime of approximately 2 years. We further show that the observed short term (days-weeks) variations in Jupiter's radio emission cannot be explained adequately when radial diffusion is taken into account.
De Pater, Imke↗
POLARIZATION MEASUREMENTS OF HOT DUST STARS AND THE LOCAL INTERSTELLAR MEDIUM
Debris discs are typically revealed through the presence of excess emission at infrared wavelengths. Most discs exhibit excess at mid- and far-infrared wavelengths, analogous to the solar system’s Asteroid and Edgeworth-Kuiper belts. Recently, stars with strong (∼1%) excess at near-infrared wavelengths were identified through interferometric measurements. Using the HIgh Precision Polarimetric Instrument, we examined a sub-sample of these hot dust stars (and appropriate controls) at parts-per-million sensitivity in SDSS g ′ (green) and r ′ (red) filters for evidence of scattered light. No detection of strongly polarized emission from the hot dust stars is seen. We, therefore, rule out scattered light from a normal debris disk as the origin of this emission. A wavelength-dependent contribution from multiple dust components for hot dust stars is inferred from the dispersion (the difference in polarization angle in red and green) of southern stars. Contributions of 17 ppm (green) and 30 ppm (red) are calculated, with strict 3- σ upper limits of 76 and 68 ppm, respectively. This suggests weak hot dust excesses consistent with thermal emission, although we cannot rule out contrived scenarios, e.g., dust in a spherical shell or face-on discs. We also report on the nature of the local interstellar medium (ISM), obtained as a byproduct of the control measurements. Highlights include the first measurements of the polarimetric color of the local ISM and the discovery of a southern sky region with a polarization per distance thrice the previous maximum. The data suggest that λ {sub max}, the wavelength of maximum polarization, is bluer than typical.
79 ASTRONOMY AND ASTROPHYSICS↗
Enceladus: An Active Cryovolcanic Satellite
Enceladus is one of the most remarkable satellites in the solar system, as revealed by Cassini's detection of active plumes erupting from warm fractures near its south pole. This discovery makes Enceladus the only icy satellite known to exhibit ongoing internally driven geological activity. The activity is presumably powered by tidal heating maintained by Enceladus 2:1 mean-motion resonance with Dione, but many questions remain. For instance, it appears difficult or impossible to maintain the currently observed radiated power (probably at least 6 GW) in steady state. It is also not clear how Enceladus first entered its current self-maintaining warm and dissipative state initial heating from non-tidal sources is probably required. There are also many unanswered questions about Enceladus interior. The silicate fraction inferred from its density of 1.68 g per cubic centimeter is probably differentiated into a core, though we have only indirect evidence for differentiation. Above the core there is probably a global or regional water layer, inferred from several models of tidal heating, and an ice shell thick enough to support the ~1 kilometer amplitude topography seen on Enceladus. It is possible that dissipation is largely localized beneath the south polar region. Enceladus surface geology, ranging from moderately cratered terrain to the virtually crater-free active south polar region, is highly diverse, tectonically complex, and remarkably symmetrical about the rotation axis and the direction to Saturn. South polar activity is concentrated along the four tiger stripe fractures, which radiate heat at temperatures up to at least 167 K and are the source of multiple plumes ejecting ~200 kilograms per second of H2O vapor along with significant N2 (or C2H4), CO2, CH4, NH3, and higher-mass hydrocarbons. The escaping gas maintains Saturn's neutral gas torus, and the plumes also eject a large number of micron-sized H2O ice grains that populate Saturn's E-ring. The mechanism that powers the plumes is not well understood, and whether liquid water is involved is a subject of active debate (but likely nonetheless). Enceladus provides a promising potential habitat for life in the outer solar system, and the active plumes allow the unique opportunity for direct sampling of that zone. Enceladus is thus a prime target for Cassini's continued exploration of the Saturn system, and will be a tempting target for future missions.
Spencer, J. R.↗
Simultaneous far-infrared, near-infrared, and radio observations of OH/IR stars
Simultaneous far-infrared, near-infrared, and radio observations have been made of five infrared stars which show OH maser emission at 1612 MHz. These stars have very thick circumstellar dust shells and are not seen optically. The data permit a direct comparison of the far-infrared and maser emission from these sources, which strongly supports the hypothesis that the maser emission is pumped by 35 micron photons. A comparison with data obtained at earlier epochs suggests that the maser emission is saturated. The infrared and radio data are used together with estimates of the source distances to determine the luminosities and mass loss rates for these objects. The luminosities lie in the range 2000-30,000 solar luminosities and are consistent with either Mira variable or M supergiant classifications for the underlying stars. The estimated mass loss rates lie between 0.000005-0.00007 solar mass/year.
Werner, M. W.↗
Observations of ultraviolet-bright stars in globular clusters with the Hopkins Ultraviolet Telescope
Two UV-bright stars in globular clusters, UV5 in NGC 1851 and vZ 1128 in M3, were observed with the Hopkins Ultraviolet Telescope (HUT) during the Astro-1 space shuttle mission in 1990 December. The stars' spectra show weak absorption features and no significant emission features other than well known geocoronal lines. Detailed fitting of Kurucz (1991) stellar atmosphere models using a chi(sup 2) minimization technique indicates T(sub eff) = 16 000 K, log g = 2.5, and abundance (-1.0) (logarithm of abundance of elements heavier than helium relative to solar) for UV5, and T(sub eff) = 35 000 K, log g = 4.0, and abundance (-3.5) for vZ 1128. The Kurucz model which best fits vZ 1128 overpredicts the flux in the region below approximately 1000 A, an effect seen in previous models of O-type stars. Our results are robust (to within approximately 1000 K) with respect to uncertainties in interstellar reddening and atomic and molecular hydrogen column densities. We do not see significant molecular hydrogen absorption, which might have indicated material in a circumstellar shell, in either star's spectrum. We estimate the stellar luminosities to be log L/solar luminosity = 3.33 +/- 0.15 for UV5 and log L/solar luminosity = 3.21 +/- 0.12 for vZ 1128. These atmospheric parameters place both stars on the Schoenberner (post-AGB) tracks, though the stellar masses derived from the best-fitting Kurucz models are somewhat less than those predicted by the Schoenberner models. Examination of individual absorption line strengths reveals no significant abundance anomalies in either star.
Van Dyke Dixon, W.↗
Discovery of a shell around Alpha Lyrae
IRAS observations of Alpha Lyrae reveal a large infrared excess beyond 12 microns. The excess over an extrapolation of a 10,000 K blackbody is a factor of 1.3 at 25 microns, 7 at 60 microns, and 16 at 100 microns. The source of 60 microns emission has a diameter of about 20 arcsec. This is the first detection of a large infrared excess from a main-sequence star without significant mass loss. The most likely origin of the excess is thermal radiation from solid particles more than a millimeter in radius, located approximately 85 AU from Alpha Lyr and heated by the star to an equilibrium temperature of 85 K. These results provide the first direct evidence outside of the solar system for the growth of large particles from the residual of the prenatal cloud of gas and dust.
Aumann, H. H.↗
Collaborative Research Activities of the Arase and Van Allen Probes
This paper presents the highlights of joint observations of the inner magnetosphere by the Arase spacecraft, the Van Allen Probes spacecraft, and ground-based experiments integrated into spacecraft programs. The concurrent operation of the two missions in 2017–2019 facilitated the separation of the spatial and temporal structures of dynamic phenomena occurring in the inner magnetosphere. Because the orbital inclination angle of Arase is larger than that of Van Allen Probes, Arase collected observations at higher L-shells up to L ~ 10. After March 2017, similar variations in plasma and waves were detected by Van Allen Probes and Arase. We describe plasma wave observations at longitudinally separated locations in space and geomagnetically-conjugate locations in space and on the ground. The results of instrument intercalibrations between the two missions are also presented. Arase continued its normal operation after the scientific operation of Van Allen Probes completed in October 2019. The combined Van Allen Probes (2012-2019) and Arase (2017-present) observations will cover a full solar cycle. This will be the first comprehensive long-term observation of the inner magnetosphere and radiation belts.
97 MATHEMATICS AND COMPUTING↗
Model for the circumstellar gas around alpha Orionis
Models are presented to explain the physical conditions in the circumstellar envelope surrounding the red supergiant Alpha Orionis. The models of the CO density and neutral atomic potassium density are calculated for the outer shell to reproduce simultaneously both the radio detection of CO and optical measurements of the amount of scattering by neutral potassium around Alpha Ori. CO and potassium loss rates of 7 x 10 to the 39th/sec and 8 x 10 to the 37th/sec are obtained, which imply a potassium to carbon ratio greater than that of the sun by about a factor of 25. The low carbon abundance may be attributed to extensive CNO processing, and, together with the potassium abundance, indicates a total mass loss rate of 0.000015 solar masses/year. The mass loss, mass and abundance properties of Alpha Ori suggest it to be the progenitor of a Type II supernova such as Cas A.
Jura, M.↗
Building and testing correlations for the estimation of one‐electron reduction potentials of a diverse set of organic molecules
We describe and evaluate a method for computationally predicting reduction potentials of a diverse group of organic molecules by linearly correlating calculated lowest unoccupied molecular orbital energies with ground state reduction potentials measured in acetonitrile. The approach is shown to provide a unique combination of extreme computational simplicity and excellent accuracy across a diverse range of organic structures and a wide window of reduction potentials. A disparate set of molecules (74 compounds belonging to six distinct structural families, comprised of molecules containing C, H, N, O, F, Cl, and Br, with functional groups including esters, ketones, halides, nitriles, quinones, alkenes, arenes, heteroarenes, and pyridinium and higher benzologs, all containing conjugated pi systems, spanning a 3.5‐V range of reduction potentials) was used to build the correlations. This methodology was found to be computationally inexpensive compared with other approaches and to permit the useful prediction of reduction potentials of additional molecules of diverse structural types not included in the families used to determine the correlation parameters. The effects of varying the basis set used in the B3LYP electronic structure calculations and including solvent (compared with calculations in gas phase) were also examined. It was found that the inclusion of a continuum solvent model in the calculations was required for accurate results, particularly when including cationic species in the correlations (although when only neutral molecules were examined, reasonable results could even be obtained in vacuo ). Several of the best correlations were used to predict the reduction potentials of seven much larger and structurally diverse chromophores that were not included in the correlation data set. Strong correlations ( r 2 values > 0.99) with very good predictive abilities (root mean square deviation < 60 mV) were found. This extremely simple and computationally efficient entirely closed‐shell methodology is proven robust and useful for the design of new molecules capable of participating in redox processes, including electron transfer reactions. Copyright © 2015 John Wiley & Sons, Ltd.
Méndez‐Hernández, Dalvin D.↗
Nucleosynthesis Predictions for Intermediate-Mass AGB Stars: Comparison to Observations of Type I Planetary Nebulae
Type I planetary nebulae (PNe) have high He/H and N/O ratios and are thought to be descendants of stars with initial masses of approx. 3-8 Stellar Mass. These characteristics indicate that the progenitor stars experienced proton-capture nucleosynthesis at the base of the convective envelope, in addition to the slow neutron capture process operating in the He-shell (the s-process). We compare the predicted abundances of elements up to Sr from models of intermediate-mass asymptotic giant branch (AGB) stars to measured abundances in Type I PNe. In particular, we compare predictions and observations for the light trans-iron elements Se and Kr, in order to constrain convective mixing and the s-process in these stars. A partial mixing zone is included in selected models to explore the effect of a C-13 pocket on the s-process yields. The solar-metallicity models produce enrichments of [(Se, Kr)/Fe] less than or approx. 0.6, consistent with Galactic Type I PNe where the observed enhancements are typically less than or approx. 0.3 dex, while lower metallicity models predict larger enrichments of C, N, Se, and Kr. O destruction occurs in the most massive models but it is not efficient enough to account for the greater than or approx. 0.3 dex O depletions observed in some Type I PNe. It is not possible to reach firm conclusions regarding the neutron source operating in massive AGB stars from Se and Kr abundances in Type I PNe; abundances for more s-process elements may help to distinguish between the two neutron sources. We predict that only the most massive (M grester than or approx.5 Stellar Mass) models would evolve into Type I PNe, indicating that extra-mixing processes are active in lower-mass stars (3-4 Stellar Mass), if these stars are to evolve into Type I PNe.
Karakas, Amanda I.↗
Ion Chemistry in Atmospheric and Astrophysical Plasmas
There are many differences and also remarkable similarities between the ion chemistry and physics of planetary ionospheres and the ion chemistry and physics of astronomical environments beyond the solar system. In the early Universe, an expanded cooling gas of hydrogen and helium was embedded in the cosmic background radiation field and ionized by it. As the Universe cooled by adiabatic expansion, recombination occurred and molecular formation was driven by catalytic reactions involving the relict electrons and protons. Similar chemical processes are effective in the ionized zones of gaseous and planetary nebulae and in stellar winds where the ionization is due to radiation from the central stars, in the envelopes of supernovae where the ionization is initiated by the deposition of gamma-rays, in dissociative shocks where the ionization arises from electron impacts in a hot gas and in quasar broad-line region clouds where the quasar is responsible for the ionization. At high altitudes in the atmospheres of the Jovian planets, the main constituents are hydrogen and helium and the ion chemistry and physics is determined by the same processes, the source of the ionization being solar ultraviolet radiation and cosmic rays. After the collapse of the first distinct astronomical entities to emerge from the uniform flow, heavy elements were created by nuclear burning in the cores of the collapsed objects and distributed throughout the Universe by winds and explosions. The chemistry and physics became more complicated. Over 90 distinct molecular species have been identified in interstellar clouds where they are ionized globally by cosmic ray impacts and locally by radiation and shocks associated with star formation and evolution. Complex molecules have also been found in circumstellar shells of evolved stars. At intermediate and low altitudes in the Jovian atmospheres, the ion chemistry is complicated by the increasing abundance of heavy elements such as carbon, and an extensive array of complex molecules has been predicted. Reactions involving heavy elements dominate the structure of the ionspheres of the terrestrial planets and the satellites Titan and Triton.
Dalgarno, A.↗
Lunar and Planetary Science XXXVI, Part 8
The following topics were discussed: Why Small is Beautiful, and How to Detect Another 10 Billion Small Main Belt Asteroids; Basalts in Mare Humorum and S.E. Procellarum; Basalts in Mare Serenitatis, Lacus Somniorum, Lacus Mortis and Part of Mare Tranquillitatis; Revised Thorium Abundances for Lunar Red Spots; Integrating Global-Scale Mission Datasets - Understanding the Martian Crust; Comparing Goldstone Solar System Radar Earth-based Observations of Mars with Orbital Datasets; Water Ice Clouds in the Martian Atmosphere: A View from MGS TES; Lunar Meteorite Northeast Africa 001: An Anorthositic Regolith Breccia with Mixed Highland/Mare Components; One Spectrometer, Two Spectra: Complementary Hemispherical Reflectance and Thermal Emission Spectroscopy Using a Single FTIR Instrument; Alteration Phases Associated with High Concentrations of Orthopyroxene and Olivine on Mars; Experimental Crystallization of Fe-rich Basalt: Application to Cooling Rate and Oxygen Fugacity of Nakhlite MIL-03346; Thermo-Chemical Convection in Europa s Icy Shell with Salinity; Tectonic Pressurization of Aquifers in the Formation of Mangala and Athabasca Valles on Mars; 3D Structural Interpretation of the Eagle Butte Impact Structure, Alberta, Canada; Ultraviolet Views of Enceladus, Tethys, and Dione; Crustal Plateaus as Ancient Large Impact Features: A Hypothesis; New Observations of Crustal Plateau Surface Histories, Venus: Implications for Crustal Plateau Hypotheses; Detailed Mineralogical Characterizations of Four S-Asteroids: 138 Tolosa, 306 Unitas, 346 Hermentaria, and 480 Hansa; Working with Planetary Coordinate Reference Systems; Bilingual Map of Mercury; and The Io Mountain Online Database.
Source record↗
Remote and In Situ Observations of an Unusual Earth-Directed Coronal Mass Ejection from Multiple Viewpoints
During June 16-21, 2010, an Earth-directed Coronal Mass Ejection (CME) event was observed by instruments onboard STEREO, SOHO, MESSENGER and Wind. This event was the first direct detection of a rotating CME in the middle and outer corona. Here, we carry out a comprehensive analysis of the evolution of the CME in the interplanetary medium comparing in-situ and remote observations, with analytical models and three-dimensional reconstructions. In particular, we investigate the parallel and perpendicular cross section expansion of the CME from the corona through the heliosphere up to 1 AU. We use height-time measurements and the Gradual Cylindrical Shell (GCS) technique to model the imaging observations, remove the projection effects, and derive the 3-dimensional extent of the event. Then, we compare the results with in-situ analytical Magnetic Cloud (MC) models, and with geometrical predictions from past works. We nd that the parallel (along the propagation plane) cross section expansion agrees well with the in-situ model and with the Bothmer & Schwenn [1998] empirical relationship based on in-situ observations between 0.3 and 1 AU. Our results effectively extend this empirical relationship to about 5 solar radii. The expansion of the perpendicular diameter agrees very well with the in-situ results at MESSENGER ( 0:5 AU) but not at 1 AU. We also find a slightly different, from Bothmer & Schwenn [1998], empirical relationship for the perpendicular expansion. More importantly, we find no evidence that the CME undergoes a significant latitudinal over-expansion as it is commonly assumed
Nieves-Chinchilla, T.↗
On the role of a supernova in the formation of the solar system
Four possible scenarios relating the proto-solar cloud to the 'last-minute' supernova presumed responsible for the isotopic anomalies in Allende and other meteorites are considered. The probability that a chance supernova occurred close enough to an already-collapsing proto-solar cloud to inject sufficient matter is extremely small, even if the sun formed in a region of enhanced supernova activity such as Orion OB1. The ambient level of Al-26 inside a molecular cloud in Orion is also apparently too low to account for the meteorite data, unless the supernova ejecta accumulates at the edges of the cloud and star formation occurs there preferentially. Two modes of supernova-induced star formation are discussed. In one, the supernova shock collapses a preexisting cloud; in the other, stars form within the snowplow shell of the supernova. Canis Major R1 and Monoceros R1 are possible present-day examples of such star formation regions.
Herbst, W.↗
Lead halide perovskite nanowires stabilized by block copolymers for Langmuir-Blodgett assembly
The rapid development of solar cells based on lead halide perovskites (LHPs) has prompted very active research activities in other closely-related fields. Colloidal nanostructures of such materials display superior optoelectronic properties. Especially, one-dimensional (1D) LHPs nanowires show anisotropic optical properties when they are highly oriented. However, the ionic nature makes them very sensitive to external environment, limiting their large scale practical applications. Here, we introduce an amphiphilic block copolymer, polystyrene-block-poly(4-vinylpyridine) (PS-P4VP), to chemically modify the surface of colloidal CsPbBr 3 nanowires. Finally, the resulting core-shell nanowires show enhanced photoluminescent emission and good colloidal stability against water. Taking advantage of the stability enhancement, we further applied a modified Langmuir-Blodgett technique to assemble monolayers of highly aligned nanowires, and studied their anisotropic optical properties.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗