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At least 1,189 records · Page 66

Electronic and vibrational spectra of matrix isolated anthracene radical cations - Experimental and theoretical aspects

The IR vibrational and visible/UV electronic absorption spectra of the anthracene cation, An(+), were studied experimentally, in argon matrices at 12 K, as well as theoretically, using ab initio calculations for the vibrational modes and enhanced semiempirical methods with configuration interaction for the electronic spectra. It was found that both approaches predicted well the observed photoelectron spectrum. The theoretical IR intensities showed some remarkable differences between neutral and ionized species (for example, the CH in-plane bending modes and CC in-plane stretching vibrations were predicted to increase by several orders of magnitude upon ionization). Likewise, estimated experimental IR intensities showed a significant increase in the cation band intensities over the neutrals. The implication of these findings for the hypothesis that polycyclic aromatic hydrocarbon cations are responsible for the unidentified IR emission bands from interstellar space is discussed.

Szczepanski, Jan↗

Effects of Shocks on Emission from Central Engines of Active Galactic Nuclei. I

In this paper we show that perturbations of the accretion flow within the central engines of some active galactic nuclei (AGNS) are likely to form shock waves in the accreting plasma. Such shocks, which may be either collisional or collisionless, can contribute to the observed high-energy temporal and spectral variability. Our rationale is the following: Observations show that the continuum emission probably originates in an optically thin, hot plasma in the AGN central engine. The flux and spectrum from this hot plasma varies significantly over light crossing timescales. Several authors have suggested that macroscopic perturbations contained within this plasma are the sources of this variability. In order to produce the observed emission the perturbations must be radiatively coupled with the optically thin hot matter and must also move with high velocities. We suggest that shocks, which can be very effective in randomizing the bulk motion of the perturbations, are responsible for this coupling. Shocks should form in the central engine, because the temperatures and magnetic fields are probably reduced below their virial values by radiative dissipation. Perturbations moving at Keplerian speeds, or strong non-linear excitations, result in supersonic and super-Alfvenic velocities leading to shock waves within the hot plasma. We show that even a perturbation smaller than the emitting region can form a shock that significantly modifies the continuum emission in an AGN, and that the spectral and temporal variability from such a shock generally resembles those of radio-quiet AGNS. As an example, the shock inducing perturbation in our model is a small main-sequence star, the capturing and eventual accretion of which are known to be a plausible process. We argue that shocks in the central engine may also provide a natural triggering mechanism for the "cold" component of Guilbert & Rees two-phase medium and an efficient mecha- nism for angular momentum transfer. Current and future missions, such as ASCA, XTE, XMM, AXAF, and ASTRO-E may determine the importance of shock-related emission from the central engines of AGNS.

Sivron, R.↗

Steps toward determination of the size and structure of the broad-line region in active nuclei. 7: Variability of the optical spectrum of NGC 5548 over years

We report on the results of a continuation of a large monitoring program of optical spectroscopy of the Seyfert 1 galaxy NGC 5548. The new observations presented here were obtained between 1990 December and 1992 October, and extend the existing database to nearly 1400 days, dating back to 1988 December. The continuum variations are generally smooth and well-resolved, except during the third year of this 4 year project, when the variations were apparently more rapid and of lower amplitude than observed at other times. The broad H(beta) emission line is found to vary in response to the continuum variations with a lag of about 18 days, but with some changes from year to year. The H(beta) transfer functions for each of the 4 yr and for the entire 4 yr database are derived by using a maximum entropy method.

Peterson, B. M.↗

Response of the Alliance 1 Proof-of-Concept Airplane Under Gust Loads

This report presents the work performed by Lockheed Martin's Langley Program Office in support of NASA's Environmental Research Aircraft and Sensor Technology (ERAST) program. The primary purpose of this work was to develop and demonstrate a gust analysis method which accounts for the span-wise variation of gust velocity. This is important because these unmanned aircraft having high aspect ratios and low wing loading are very flexible, and fly at low speeds. The main focus of the work was therefore to perform a two-dimensional Power Spectrum Density (PSD) analysis of the Alliance 1 Proof-of-Concept Unmanned Aircraft, As of this writing, none of the aircraft described in this report have been constructed. They are concepts represented by analytical models. The process first involved the development of suitable structural and aeroelastic Finite Element Models (FEM). This was followed by development of a one-dimensional PSD gust analysis, and then the two-dimensional (PSD) analysis of the Alliance 1. For further validation and comparison, two additional analyses were performed. A two-dimensional PSD gust analysis was performed on a simplet MSC/NASTRAN example problem. Finally a one-dimensional discrete gust analysis was performed on Alliance 1. This report describes this process, shows the relevant comparisons between analytical methods, and discusses the physical meanings of the results.

Naser, A. S.↗

DNA Repair Domain Modeling Can Predict Cell Death and Mutation Frequency for Wide Range Spectrum of Radiation

Exploration missions to Mars and other destinations raise many questions about the health of astronauts. The continuous exposure of astronauts to galactic cosmic rays is one of the main concerns for long-term missions. Cosmic ionizing radiations are composed of different ions of various charges and energies notably, highly charged energy (HZE) particles. The HZE particles have been shown to be more carcinogenic than low-LET radiation, suggesting the severity of chromosomal aberrations induced by HZE particles is one possible explanation. However, most mathematical models predicting cell death and mutation frequency are based on directly fitting various HZE dose response and are in essence empirical approaches. In this work, we assume a simple biological mechanism to model DNA repair and use it to simultaneously explain the low- and high-LET response using the exact same fitting parameters. Our work shows that the geometrical position of DNA repair along tracks of heavy ions are sufficient to explain why high-LET particles can induce more death and mutations. Our model is based on assuming DNA double strand breaks (DSBs) are repaired within repair domain, and that any DSBs located within the same repair domain cluster into one repair unit, facilitating chromosomal rearrangements and increasing the probability of cell death. We introduced this model in 2014 using simplified microdosimetry profiles to predict cell death. In this work, we collaborated with NASA Johnson Space Center to generate more accurate microdosimetry profiles derived by Monte Carlo techniques, taking into account track structure of HZE particles and simulating DSBs in realistic cell geometry. We simulated 224 data points (D, A, Z, E) with the BDSTRACKS model, leading to a large coverage of LET from ~10 to 2,400 keV/μm. This model was used to generate theoretical RBE for various particles and energies for both cell death and mutation frequencies. The RBE LET dependence is in agreement with experimental data known in human and murine cells. It suggests that cell shape and its orientation with respect to the HZE particle beam can modify the biological response to radiation. Such discovery will be tested experimentally and, if proven accurate, will be another strong supporting evidence for DNA repair domains and their critical role in interpreting cosmic radiation sensitivity.

Viger, Louise↗

Specific resonance mode enhancement and suppression using non-uniform polarization of piezoelectric wafers: Theory and experiments

In this work, we present experimental demonstration of specific resonance mode enhancement and suppression in circular and rectangular piezoelectric wafers with engineered non-uniform polarization profiles. The polarization profiles are designed based on the electromechanical impedance response of non-uniformly polarized wafers as obtained from the theory. The circular wafers are fabricated with non-uniform polarization profiles that involve a central polarized region surrounded by an unpolarized region. The radius of the polarization zone is designed based on the condition for specific mode enhancement obtained from the electromechanical impedance response of non-uniformly polarized wafers. We actually show how the condition can not only be used to enhance but also to suppress electromechanical resonances. Two kinds of wafers are designed and fabricated to specifically suppress second and third radial modes respectively. Similarly, rectangular wafers are designed with two different kinds of non-uniform polarization profiles — the first of which enhances the second in-plane extensional mode in the impedance spectrum and the second polarization profile suppresses all the electromechanical resonances pertaining to the in-plane extensional modes and selectively excites only the in-plane bending modes. The proposed approach of using non-uniformly polarized wafers finds application in designing multi-frequency sensors/transducers, frequency-tuned receivers, acoustic beamforming, and other non-traditional applications such as information storage.

36 MATERIALS SCIENCE↗

Ion and Electron Acceleration in Fully Kinetic Plasma Turbulence

Turbulence is often invoked to explain the origin of nonthermal particles in space and astrophysical plasmas. By means of 3D fully kinetic particle-in-cell simulations, we demonstrate that turbulence in low-β plasmas (β is the ratio of plasma pressure to magnetic pressure) accelerates ions and electrons into a nonthermal energy distribution with a power-law energy range. The ion spectrum is harder than the electron one, and both distributions get steeper for higher β. We show that the energization of electrons is accompanied by a significant energy-dependent pitch-angle anisotropy, with most electrons moving parallel to the local magnetic field, while ions stay roughly isotropic. We demonstrate that particle injection from the thermal pool occurs in regions of high current density. Parallel electric fields associated with magnetic reconnection are responsible for the initial energy gain of electrons, whereas perpendicular electric fields control the overall energization of ions. Our findings have important implications for the origin of nonthermal particles in space and astrophysical plasmas.

79 ASTRONOMY AND ASTROPHYSICS↗

Interpretation of the Minkowski bands in Grw + 70 deg 8247.

Demonstration on the basis of the spectral structure of circular polarization in Grw + 70 deg 8247, that the absorption bands are at least in part molecular in origin. The spectrum of molecular helium has strong bands coincident with several of the Minkowski bands and, in particular, at high temperature shows a strong band head at about 4125 A. Helium molecules could be formed in sufficient density to give the absorption features in the star if it has a pure helium atmosphere. The Zeeman effect in molecular helium can explain in general the observed spectral features in the polarization and also may be responsible for the continuum polarization.

Angel, J. R. P.↗

Lyman-alpha emission from nonthermal proton beams

Nonthermal fast protons penetrating an atmosphere containing neutral hydrogen will produce some nonthermal fast neutrals which will radiate Doppler-shifted photons. The hydrogen line profiles observed from such an atmosphere will thus have nonthermal, partially polarized wings that contain information on the flux, energy spectrum, and direction of the incident proton beam. This paper develops the theory of this effect and applies it to proton beams from impulsive solar flares impacting on the sun's atmosphere. Calculations of the L-alpha profile from the region of impact have been made for the Vernazza-Avrett-Loeser solar atmosphere assuming proton energy fluxes and power-law spectra similar to those inferred for the electron beams believed responsible for hard X-ray bursts. The resulting profiles show that the effect should be detectable and that it could serve as a diagnostic for flare protons near their place of origin on the sun.

Orrall, F. Q.↗

Microwave emission from a sunspot. I - Implications for the sunspot magnetic structure

The magnetic field strength of a sunspot can be determined from the gyroresonance brightness temperature spectrum by using the property that microwave brightness is limited above a frequency given by an integer-multiple of the gyrofrequency. This concept is used to find the radial distribution of the magnetic field at the coronal base of a sunspot in the active region NOAA 4741. It is shown that the o-mode emission must arise primarily from the second harmonic of the gyrofrequency, and that the third harmonic is responsible for the x-mode emission. An expression is given to describe the radial distribution of magnetic fields at the coronal base of a sunspot. Coronal magnetic fields are found to originate mainly in the photospheric umbral region. Finally, while it is possible to approximate roughly the derived vertical variation of magnetic fields by means of a dipole model, the radial field distribution at coronal heights is determined to be more confined than predicted by this model.

Lee, Jeongwoo W.↗

Variations in the Peak Position of the 6.2 micron Interstellar Emission Feature: A Tracer of N in the Interstellar Polycyclic Aromatic Hydrocarbon Population

This paper presents the results of an investigation of the molecular characteristics that underlie the observed peak position and profile of the nominal 6.2 micron interstellar emission band generally attributed to the CC stretching vibrations of polycyclic aromatic hydrocarbons (PAHs). It begins with a summary of recent experimental and theoretical studies ofthe spectroscopic properties of large (>30 carbon atoms) PAH cations as they relate to this aspect of the astrophysical problem. It then continues with an examination of the spectroscopic properties of a number of PAH variants within the context of the interstellar 6.2 micron emission, beginning with a class of compounds known as polycyclic aromatic nitrogen heterocycles (PANHs; PAHs with one or more nitrogen atoms substituted into their carbon skeleton). In this regard, we summarize the results of recent relevant experimental studies involving a limited set of small PANHs and their cations and then report the results of a comprehensive computational study that extends that work to larger PANH cations including many nitrogen-substituted variants of coronene(+) (C24H12(+)), ovalene(+) (C32H14(+)), circumcoronene(+) (C54H18(+)), and circum-circumcoronene(+) (C96H24(+)). Finally, we report the results of more focused computational studies of selected representatives from a number of other classes of PAH variants that share one or more of the key attributes of the PANH species studied. These alternative classes of PAH variants include (1) oxygen- and silicon-substituted PAH cations; (2) PAH-metal ion complexes (metallocenes) involving the cosmically abundant elements magnesium and iron; and (3) large, asymmetric PAH cations. Overall, the studies reported here demonstrate that increasing PAH size alone is insuEcient to account for the position of the shortest wavelength interstellar 6.2 micron emission bands, as had been suggested by earlier studies. On the other hand, this work reveals that substitution of one or more nitrogen atoms within the interior of the carbon skeleton of a PAH cation induces a significant blueshift in the position of the dominant CC stretching feature of these compounds that is suf6cient to account for the position of the interstellar bands. Subsequent studies of the effects of substitution by other heteroatoms (O and Si), metal ion complexation (Fe(+), Mg(+), and Mg(2+)), and molecular symmetry variation-all of which fail to reproduce the blueshift observed in the PANH cations-indicate that N appears to be unique in its ability to accommodate the position of the interstellar 6.2 micron bands while simultaneously satisfying the other constraints of the astrophysical problem. This result implies that the peak position of the interstellar feature near 6.2 micron traces the degree of nitrogen substitution in the population, that most of the PAHs responsible for the interstellar IR emission features incorporate nitrogen within their aromatic networks, and that a lower limit of 1%-2% of the cosmic nitrogen is sequestered within the interstellar PAH population. Finally, in view of the ubiquity and abundance of interstellar PAHs and the permanent dipoles and distinctive electronic structures of these nitrogen-substituted variants, this work impacts a wide range of observational phenomena outside of the infrared region of the spectrum including the forest of unidentified molecular rotational features and the anomalous Galactic foreground emission in the microwave, and the diffuse interstellar bands (DIBs) and other structure in the interstellar extinction curve in the ulhviolet/visible. These astrophysical ramifications are discussed, and the dipole moments and rotational constants are tabulated to facilitate further investigations of the astrophysical role of nitrogen-substituted aromatic compounds.

Hudgins, Douglas M.↗

Effects of White Leds on Growth and Phytonutrients of Outredgeous Romaine Lettuce When Supplemented with Various Monochromatic Wavelengths

Growing plants in space will be an essential part of sustaining astronauts during long-range missions. To drive photosynthesis, light-emitting diodes (LEDs) are becoming superior because of their efficiency, longevity, small size, safety, and wavelength versatility. Isolating the effects of certain wavelengths on plant growth when combined with white light is attracting attention. To optimize crop production/quality in space, this study has aimed to configure novel light recipes for the Advanced Plant Habitat currently aboard the International Space Station (ISS). By using white light as a background to maintain normal growth, the addition of monochromatic wavelengths provides a clearer understanding of how each part of the visible spectrum affects plant growth. By growing Outredgeous lettuce under six treatments of White (W) LEDs, W + blue (B), W+ green (G), W + red (R), W + far red (FR), and RGB + FR LEDs with ratios similar to natural sunlight, this investigation has assessed differences in biomass, morphology, chlorophyll, and the synthesis of key phytonutrients. The potential for Outredgeous to produce anthocyanin, lutein, potassium, magnesium, and iron is paramount to maintaining astronaut health. The crop responses to each treatment have been evaluated and the optimal LED combination for both plant yield and nutrient content will be presented.

Food Production↗

Bigness is in the eye of the beholder

This report reviews an investigation of judgments of size and distance as required of pilots in flight. The experiments covered a broad spectrum of basic psychophysiological issues involving the measurement of visual accommodation and its correlation with various other dependent variables. Psychophysiological issues investigated included the size-distance invariance hypothesis, the projection of afterimages, the moon illusion, night and empty-field myopia, the dark focus and its so-called Mandelbaum effect, the nature and locus of the accommodative stimulus, the relation between accommodation, retinal size, and perceived size, and possible relationships among accommodative responses, autonomic balance, and personality variables.

Roscoe, S. N.↗

Complete field-induced spectral response of the spin-1/2 triangular-lattice antiferromagnet CsYbSe 2

Fifty years after Anderson’s resonating valence-bond proposal, the spin-1/2 triangular-lattice Heisenberg antiferromagnet (TLHAF) remains the ultimate platform to explore highly entangled quantum spin states in proximity to magnetic order. Yb-based delafossites are ideal candidate TLHAF materials, which allow experimental access to the full range of applied in-plane magnetic fields. We perform a systematic neutron scattering study of CsYbSe 2 , first proving the Heisenberg character of the interactions and quantifying the second-neighbor coupling. We then measure the complex evolution of the excitation spectrum, finding extensive continuum features near the 120°-ordered state, throughout the 1/3-magnetization plateau and beyond this up to saturation. We perform cylinder matrix-product-state (MPS) calculations to obtain an unbiased numerical benchmark for the TLHAF and spectacular agreement with the experimental spectra. The measured and calculated longitudinal spectral functions reflect the role of multi-magnon bound and scattering states. These results provide valuable insight into unconventional field-induced spin excitations in frustrated quantum materials.

36 MATERIALS SCIENCE↗

Development of an MC&A toolbox for liquid-fueled molten salt reactors with online reprocessing (Final Report)

A critical barrier to the deployment of MSRs is the absence of a well-defined nuclear material control and accounting (MC&A) approach, a vital prerequisite to meet NRC licensing requirements as well as facilitating future international exports. Liquid-fueled MSR variants (especially those incorporating online refueling or reprocessing) present a unique set of challenges to traditional nuclear material control and accountancy. Unlike solid-fueled light-water reactors, traditional item-counting methods cannot be applied as an accountancy strategy. Rather, MC&A approaches to MSR variants (including both uranium and thorium fueled designs) are more analogous to bulk material handling facilities (e.g., enrichment and reprocessing); yet further complicating matters is the fact that fuel medium is also highly radioactive. Meanwhile, the space of MSRs covers a broad range of design parameters, including thermal and fast spectra designs; operation in actinide breeder or burner modes, choice of actinide fuel used (e.g., 235 U, 232 Th / 233 U, denatured 233 U, etc.), pool or loop-type configuration, and even different salt chemistry. Each of these design choices introduce significant challenges to MC&A approaches within MSR facilities. We propose to bridge this gap for liquid-fueled MSRs by developing a modular, component-based test framework for evaluating viable process monitoring and MC&A techniques specifically suited to liquid-fueled MSR system variants employing online refueling or reprocessing. This test platform will consist of a toolbox of independent process modules representing discrete physical units (such as the reactor core, off-gas processing, decay tanks, and actinide separation units), each with its own self-contained physics responsive to the input mass flow, along with appropriate measurement models that can be coupled to key flow points. These dynamic physical signatures thus afford the ability to test the viability and efficacy of potential accountancy techniques under the full range of reactor operating conditions. As process modules are connected via mass flows, the result is a reconfigurable, generic MSR mass flow model capable of serving as an MC&A test platform for a broad spectrum of possible MSR configurations. The resulting MSR MC&A toolbox will enable robust assessment of accountancy strategies for this unique facility type, including analysis of physical feedbacks arising both from depletion of the fuel over time as well as from potential off-normal events, including those introduced by equipment failures (e.g., a pump failure) as well as by malicious action (i.e., attempts to divert material). The proposed toolbox both addresses a critical needs area for the MPACT analysis toolkit while leveraging existing MPACT-sponsored tools, especially with respect to simulation of measurement and accountancy techniques for advanced fuel cycle facilities. Beyond enabling new analysis capabilities for MSR systems, the design of this toolbox will be to such to maximize compatibility with existing MPACT tools, such to enhance existing facility MC&A analysis capabilities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The direct deconvolution of X-ray spectra

The method of deconvolution of proportional counter X-ray spectra as outlined by Blissett and Cruise is reviewed with particular emphasis on low-energy spectra. This method involves the expansion of the incident spectrum in terms of a set of orthonormal singular functions which propagate independently through the detector matrix. When applied to low-energy detectors which typically exhibit absorption features in their efficiency curves, the initial Blissett and Cruise prescription is shown to be unstable. Alternative methods for handling the efficiency are described and evaluated. In the deconvolution of steep spectra, additional distortions are shown to arise as a result of sidelobe oscillations in the effective response functions. A selective weighting procedure is thus introduced to suppress spurious features of this type. Finally, the role of filtering in the deconvolution procedure is discussed and several suitable forms for the filter are suggested.

Kahn, S. M.↗

Raman scattering in the Jovian atmosphere

On December 8 and 9, 1976, the 1024 channel Reticon silicon photodiode array detector in the coude spectrograph of a 2.7 m telescope was used to obtain spectra of Jupiter and the moon. Three separate data sets were obtained, including one of the Jovian equatorial region, one of the Jovian north polar cap, and one of Mare Serenetatis on the moon. A correlation analysis was conducted. The autocorrelation function of the Jovian spectrum was calculated and the autocorrelation function of the lunar spectrum was subtracted from it. The analysis made it possible to detect Raman scattering by H2 in the atmosphere of Jupiter. The pure rotational H2 S(0) and S(1) lines were detected. The ratio of the relative number of Raman scattered photons in the S(0) and S(1) features indicate that the H2 in the Jovian atmosphere is in the equilibrium, rather than the normal state. Therefore some sort of nonradiative process is responsible for transitions between the ortho and para states of H2.

Cochran, W. D.↗

Spectral structure near the 11.3 micron emission feature

If the 11.3 micron emission feature seen in the spectra of many planetary nebulae, H II regions, and reflection nebulae is attributable to polycyclic aromatic hydrocarbons (PAHs), then additional features should be present between 11.3 and 13.0 microns. Moderate resolution spectra of NGC 7027, HD 44179, BD+30 deg 3639, and IRAS 21282+5050 are presented which show evidence for new emission features centered near 12.0 and 12.7 microns. These are consistent with an origin from PAHs and can be used to constrain the molecular structure of the family of PAHs responsible for the infrared features. There is an indication that coronene-like PAHs contribute far more to the emission from NGC 7027 than to the emission from HD 44179. The observed asymmetric profile of the 11.3 micron band in all the spectra is consistent with the slight anharmonicity expected in the C-H out-of-plane bending mode in PAHs. A series of repeating features between 10 and 11 microns in the spectrum of HD 44179 suggests a simple hydride larger than 2 atoms is present in the gas phase in this object.

Witteborn, Fred C.↗