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At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Chemical characterization of SOA formed from aqueous-phase reactions of phenols with the triplet excited state of carbonyl and hydroxyl radical

Phenolic compounds, which are emitted in significant amounts from biomass burning, can undergo fast reactions in atmospheric aqueous phases to form secondary organic aerosol (aqSOA). In this study, we investigate the reactions of phenol (compound with formula C 6 H 5 OH)), guaiacol (2-methoxyphenol), and syringol (2,6-dimethoxyphenol) with two major aqueous-phase oxidants – the triplet excited states of an aromatic carbonyl ( 3 C * ) and hydroxyl radical (· OH). We thoroughly characterize the low-volatility species produced from these reactions and interpret their formation mechanisms using aerosol mass spectrometry (AMS), nanospray desorption electrospray ionization mass spectrometry (nano-DESI MS), and ion chromatography (IC). A large number of oxygenated molecules are identified, including oligomers containing up to six monomer units, functionalized monomer and oligomers with carbonyl, carboxyl, and hydroxyl groups, and small organic acid anions (e.g., formate, acetate, oxalate, and malate). The average atomic oxygen-to-carbon (O / C) ratios of phenolic aqSOA are in the range of 0.85–1.23, similar to those of low-volatility oxygenated organic aerosol (LV-OOA) observed in ambient air. The aqSOA compositions are overall similar for the same precursor, but the reactions mediated by 3 C * are faster than · OH-mediated reactions and produce more oligomers and hydroxylated species at the point when 50% of the phenolic compound has reacted. Profiles determined using a thermodenuder indicate that the volatility of phenolic aqSOA is influenced by both oligomer content and O / C ratio. In addition, the aqSOA shows enhanced light absorption in the UV–visible region, suggesting that aqueous-phase reactions of phenols may contribute to formation of secondary brown carbon in the atmosphere, especially in regions influenced by biomass burning.

Yu, L.↗
NASA NTRS1965

Studies in Perturbation Theory. XI. Lower Bounds to Energy Eigenvalues, Ground State, and Excited States

The bracketing theorem in the partitioning technique for solving the Schrödinger equation may be used in principle to determine upper and lower bounds to energy eigenvalues. Practical lower bounds of any accuracy desired may be evaluated by utilizing the properties of ``inner projections'' on finite manifolds in the Hilbert space. The method is here applied to the ground state and excited states of a Hamiltonian H=H(sub 0)+V having a positive definite perturbation V. Even if inspiration is derived from the method of intermediate Hamiltonians, the final results are of bracketing type and independent of this approach. The method is numerically illustrated in some accompanying papers.

Loewdin, Per-Olov↗
NASA NTRS1975

LANDSAT-1 data as it has been applied for land use and water quality data by the Virginia State Water Control Board. 1: The state project. 2: Monitoring water quality from LANDSAT

LANDSAT-1 imagery has been used for water quality and land use monitoring in and around the Swift Creek and Lake Chesdin Reservoirs in Virginia. This has proved useful by (1) helping determine valid reservoir sampling stations, (2) monitoring areas not accessible by land or water, (3) giving the State a viable means of measuring Secchi depth readings in these inaccessible areas, (4) giving an overview of trends in changing sedimentation loadings over a given time period and classifying these waters into various categories, (5) enabling the State to inventory all major lakes and reservoirs and computing their acreage, (6) monitoring land use changes in any specific area, (7) evaluating possible long-term environmental effects of nearby developments, and (8) monitoring and predicting population shifts with possible impact on water quality problems. The main problems in the long-term use of such imagery appear to be cost and lack of consistency due to cloud cover limitations.

Trexler, P. L.↗
NASA NTRS1981

GaAs-oxide interface states - A gigantic photoionization effect and its implications to the origin of these states

Gigantic photoionization was discovered on GaAs-oxide interfaces leading to the discharge of deep surface states with rates exceeding 1000 times those of photoionization transitions to the conduction band. It exhibits a peak similar to acceptor-donor transitions and is explained as due to energy transfer from photo-excited donor-acceptor pairs to deep surface states. This new process indicates the presence of significant concentrations of shallow donor and acceptor levels not recognized in previous interface models.

Lagowski, J.↗
NASA NTRS1988

Autioionizing states in the photionization of the 3s(2)3p(4) (3)Pe ground state of sulfur

The partial and total photoionization cross sections for the S(3s/2/3p/4/ /3/Pe) ground state are calculated in both the dipole length and velocity forms. The prominent features in the cross sections are the autoionization Rydberg series converging to S+(3s/2/p/3/ /2/D/0/, /2/P/0/) excited-state thresholds. The results are pertinent to the study of sulfur in the plasma of Jupiter's satellite Io.

Tayal, S. S.↗
NASA NTRS1989

Spectroscopic analysis of transition state energy levels - Bending-rotational spectrum and lifetime analysis of H3 quasibound states

Converged quantum mechanical calculations of scattering matrices and transition probabilities are reported for the reaction of H with H2 with total angular momentum 0, 1, and 4 as functions of total energy in the range 0.85-1.15 eV on an accurate potential energy surface. The resonance structure is illustrated with Argand diagrams. State-to-state reactive collision delay times and lifetimes are presented. For J = 0, 1, and 4, the lowest-energy H3 resonance is at total energies of 0.983, 0.985, and 1.01 eV, respectively, with lifetimes of about 16-17 fs. For J = 1 and 4 there is a higher-energy resonance at 1.10-1.11 eV. For J = 1 the lifetime is about 4 fs and for J = 4 it is about 1 fs.

Zhao, Meishan↗
NASA NTRS1993

Supersqueezed states from squeezed states

Using super-Baker-Campbell-Hausdorff relations on the elements of the supergroup OSP(2/2), we derive the supersqueeze operator and the supersqueezed states, which are the supersymmetric generalization of the squeezed states of the harmonic oscillator.

Nieto, Michael Martin↗
NASA NTRS2013

Adaptive Disturbance Tracking Theory with State Estimation and State Feedback for Region II Control of Large Wind Turbines

A theory called Adaptive Disturbance Tracking Control (ADTC) is introduced and used to track the Tip Speed Ratio (TSR) of 5 MW Horizontal Axis Wind Turbine (HAWT). Since ADTC theory requires wind speed information, a wind disturbance generator model is combined with lower order plant model to estimate the wind speed as well as partial states of the wind turbine. In this paper, we present a proof of stability and convergence of ADTC theory with lower order estimator and show that the state feedback can be adaptive.

Balas, Mark J.↗
DOE OSTI2015

Detection of gamma-neutron radiation by solid-state scintillation detectors. Detection of gamma-neutron radiation by novel solid-state scintillation detectors

It is known that solid-state scintillators can be used for detection of both gamma radiation and neutron flux. In the past, neutron detection efficiencies of such solid-state scintillators did not exceed 5-7%. At the same time it is known that the detection efficiency of the gamma-neutron radiation characteristic of nuclear fissionable materials is by an order of magnitude higher than the efficiency of detection of neutron fluxes alone. Thus, an important objective is the creation of detection systems that are both highly efficient in gamma-neutron detection and also capable of exhibiting high gamma suppression for use in the role of detection of neutron radiation. In this work, we present the results of our experimental and theoretical studies on the detection efficiency of fast neutrons from a {sup 239}Pu-Be source by the heavy oxide scintillators BGO, GSO, CWO and ZWO, as well as ZnSe(Te, O). The most probable mechanism of fast neutron interaction with nuclei of heavy oxide scintillators is the inelastic scattering (n, n'γ) reaction. In our work, fast neutron detection efficiencies were determined by the method of internal counting of gamma-quanta that emerge in the scintillator from (n, n''γ) reactions on scintillator nuclei with the resulting gamma energies of ∼20-300 keV. The measured efficiency of neutron detection for the scintillation crystals we considered was ∼40-50 %. The present work included a detailed analysis of detection efficiency as a function of detector and area of the working surface, as well as a search for new ways to create larger-sized detectors of lower cost. As a result of our studies, we have found an unusual dependence of fast neutron detection efficiency upon thickness of the oxide scintillators. An explanation for this anomaly may involve the competition of two factors that accompany inelastic scattering on the heavy atomic nuclei. The transformation of the energy spectrum of neutrons involved in the (n, n'γ) reactions towards lower energies and the isotropic character of scattering of the secondary neutrons may lead to the observed limitation of the length of effective interaction, since a fraction of the secondary neutrons that propagate in the forward direction are not subject to further inelastic scattering because of their substantially lower energy. At these reduced energies, it is the capture cross-section (n, γ) that becomes predominant, resulting in lower detection efficiency. Based on these results, several types of detectors have been envisioned for application in detection systems for nuclear materials. The testing results for one such detector are presented in this work. We have studied the possibility of creation of a composite detector with scintillator granules placed inside a transparent polymer material. Because of the low transparency of such a dispersed scintillator, better light collection conditions are ensured by incorporation of a light guide between the scintillator layers. This guide is made of highly transparent polymer material. The use of a high-transparency hydrogen-containing polymer material for light guides not only ensures optimum conditions of light collection in the detector, but also allows certain deceleration of neutron radiation, increasing its interaction efficiency with the composite scintillation panels; accordingly, the detector signal is increased by 5-8%. When fast neutrons interact with the scintillator material, the resulting inelastic scattering gamma-quanta emerge, having different energies and different delay times with respect to the moment of the neutron interaction with the nucleus of the scintillator material (delay times ranging from 1x10{sup -9} to 1.3x10{sup -6} s). These internally generated gamma-quanta interact with the scintillator, and the resulting scintillation light is recorded by the photo-receiver. Since neutron sources are also strong sources of low-energy gamma-radiation, the use of dispersed ZnSe(Te) scintillator material provides high gamma-radiation detection efficiency in that energy range. This new type of gamma-neutron detector is based on a 'sandwich' structure using a ZnSe composite film and light guide with a fast neutron detection efficiency of about 6%. Its high detection efficiency of low-energy gamma-radiation allows a substantial increase (by an order of magnitude) in the efficiency of detection of neutron sources and transuranic materials by means of simultaneous detection of accompanying gamma-radiation. The design and fabrication technology of this detector allows the creation of gamma-neutron detectors characterized by high sensitivity at relatively low costs (as compared with analogs using oxide scintillators) for portable inspection systems. The sandwich structure can be comprised of any number of plates, with no limitations on thickness or area.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Reactivity from excited state {sup 4}FeO{sup +} + CO sampled through reaction of ground state {sup 4}FeCO{sup +} + N{sub 2}O

The kinetics of the FeCO{sup +} + N{sub 2}O reaction have been studied at thermal energies (300–600 K) using a variable temperature selected ion flow tube apparatus. Rate constants and product branching fractions are reported. The reaction is modestly inefficient, proceeding with a rate constant of 6.2 × 10{sup −11} cm{sup 3} s{sup −1} at 300 K, with a small negative temperature dependence, declining to 4.4 × 10{sup −11} cm{sup 3} s{sup −1} at 600 K. Both Fe{sup +} and FeO{sup +} products are observed, with a constant branching ratio of approximately 40:60 at all temperatures. Calculation of the stationary points along the reaction coordinate shows that only the ground state quartet surface is initially sampled resulting in N{sub 2} elimination; a submerged barrier along this portion of the surface dictates the magnitude and temperature dependence of the total rate constant. The product branching fractions are determined by the behavior of the remaining {sup 4}OFeCO{sup +} fragment, and this behavior is compared to that found in the reaction of FeO{sup +} + CO, which initially forms {sup 6}OFeCO{sup +}. Thermodynamic and kinetic arguments are used to show that the spin-forbidden surface crossing in this region is efficient, proceeding with an average rate constant of greater than 10{sup 12} s{sup −1}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Heat-flux control and solid-state cooling by regulating chemical potential of photons in near-field electromagnetic heat transfer

We consider near-field heat transfer with nonzero chemical potential for photons, as can occur between two semiconductor bodies, held at different temperatures with at least one of the bodies under external bias.We show that the dependence of radiative heat flux on chemical potential enables electronic control of both the direction and magnitude of near-field heat transfer between the two bodies. Moreover such a configuration can operate as a solid-state cooling device whose efficiency can approach the Carnot limit in the ideal case. Furthermore, significant cooling can also be achieved in the presence of inherent nonidealities including Auger recombination and parasitic phonon-polariton heat transfer.

42 ENGINEERING↗