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At least 919 records · Page 51

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DOE OSTI2020

Magnetic impurities in Kondo insulators: An application to samarium hexaboride

Impurities and defects in Kondo insulators can have an unusual impact on dynamics that blends with effects of intrinsic electron correlations. Such crystal imperfections are difficult to avoid, and their consequences are incompletely understood. In this work, we study magnetic impurities in Kondo insulators via perturbation theory of the s-d Kondo impurity model adapted to small-band-gap insulators. The calculated magnetization and specific heat agree with recent thermodynamic measurements in samarium hexaboride (SmB 6 ). This qualitative agreement supports the physical picture of multichannel Kondo screening of local moments by electrons and holes involving both intrinsic and impurity bands. Specific heat is thermally activated in zero field by Kondo screening through subgap impurity bands and exhibits a characteristic upturn as the temperature is decreased. In contrast, magnetization obtains a dominant quantum correction from partial screening by virtual particle-hole pairs in intrinsic bands. We point out that magnetic impurities could impact de Haas–van Alphen quantum oscillations in SmB6, through the effects of Landau quantization in intrinsic bands on the Kondo screening of impurity moments.

36 MATERIALS SCIENCE↗

NASA NTRS1972

A simple Fourier analysis technique for measuring the dynamic response of manual control systems.

From a practical standpoint most dynamic response analysis techniques are complicated, expensive, and time consuming to mechanize and operate. Adaptive parameter tracking techniques partially overcome these faults, but they have prescribed forms which is an undesirable restriction for basic research. To overcome these drawbacks, an on-line Fourier analysis technique has been developed which deals only with the input and error signals in a manual feedback control system. Several sine waves are used for the input, and the on-line data measurement includes the error variance and a simple means for obtaining the sine and cosine transforms of the error signal at each of the input frequencies. From this relatively small amount of data, we show simple ways to compute the open- and closed-loop dynamic response at input frequencies and the relative amount of linearly correlated power in the error signal.

Allen, R. W.↗

NASA NTRS1984

Nickel-iron battery system safety

The generated flow rates of gaseous hydrogen and gaseous oxygen from an electrical vehicle nickel-iron battery system were determined and used to evaluate the flame quenching capabilities of several candidate devices to prevent flame propagation within batteries having central watering/venting systems. The battery generated hydrogen and oxygen gases were measured for a complete charge and discharge cycle. The data correlates well with accepted theory during strong overcharge conditions indicating that the measurements are valid for other portions of the cycle. Tests confirm that the gas mixture in the cells is always flammable regardless of the battery status. The literature indicated that a conventional flame arrestor would not be effective over the broad spectrum of gassing conditions presented by a nickel-iron battery. Four different types of protective devices were evaluated. A foam-metal arrestor design was successful in quenching gaseous hydrogen and gaseous oxygen flames, however; the application of this flame arrestor to individual cell or module protection in a battery is problematic. A possible rearrangement of the watering/venting system to accept the partial protection of simple one-way valves is presented which, in combination with the successful foam-metal arrestor as main vent protection, could result in a significant improvement in battery protection.

Saltat, R. C.↗

NASA NTRS1991

A search for periodicity in the x ray spectrum of black hole candidate A0620-00

The archived data from the SAS-3 observations of the X-ray nova A0620-00, the best of the stellar blackhole candidates, were exhaustively examined for evidence of variable phenomena correlated with the orbital motion of the binary system of which it is a member. The original analysis of these data was completed before discovery of the binary companion and determination of the orbital period of the system. New interest was drawn to the task of a reexamination of the archive data by the recent discovery of the massive nature of the X-ray source through analysis of the Doppler variations and ellipsoidal light variations of the faint K-star companion by McClintock and Remillard. The archive research, carried out under the supervision of the principal investigator, was the topic of the thesis submitted to the MIT Department of Physics by Kenneth Plaks in partial fulfillment of the requirements for the degree of Master of Science. Plaks' effort was focused on the elimination of fluctuations in the data due to errors in attitude solutions and other extraneous causes. The first products of his work were long-term light curves of the X-ray intensities in the various energy channels as functions of time during the time from outbursts in August 1975 to quiescence approximately 6 months later. These curves, are refined versions of the preliminary results published in 1976 (Matilsky et al. 1976). Smooth exponentials were fitted to these long term light curves to provide the basis for detrending the data, thereby permitting a calculation of residuals derived by subtracting the fitted curve from the data. The residuals were then analyzed by Fourier analysis to search for variations with the period of the binary orbit, namely 7.75 hours. No evidence of an orbital periodicity was found. However, the refined light curve provides a much clearer picture of the outburst and subsequent decay of the X-ray luminosity. In fact, there were two outbursts, each followed by an exponential decay with similar time constants of about 25 days. Previous evidence of a three-oscillation variation with a 7.8 day period were confirmed. Substantial theoretical effort has been devoted to attempts to account for the decay characteristics as the result of the gradual eating up of an accretion disk by a stellar-mass blackhole (e.g., Huang and Wheeler 1989). The improved decay curves will provide significant new constraints on the theoretical analyses.

Clark, George W.↗

DOE OSTI2023

Staggered scheme for the compressible fluctuating hydrodynamics of multispecies fluid mixtures

Here, we present a numerical formulation for the solution of nonisothermal, compressible Navier-Stokes equations with thermal fluctuations to describe mesoscale transport phenomena in multispecies fluid mixtures. The novelty of our numerical method is the use of staggered grid momenta along with a finite volume discretization of the thermodynamic variables to solve the resulting stochastic partial differential equations. The key advantages of the numerical scheme are that it significantly simplifies the discretization of diffusive and stochastic momentum fluxes into a more compact form, and it provides an unambiguous prescription of boundary conditions involving pressure. The staggered grid scheme more accurately reproduces the equilibrium static structure factor of hydrodynamic fluctuations in gas mixtures compared to a collocated scheme described previously by Balakrishnan et al. [Phys. Rev. E 89, 013017 (2014)1539-375510.1103/PhysRevE.89.013017]. The numerical method is tested for ideal noble gases mixtures under various nonequilibrium conditions, such as applied thermal and concentration gradients, to assess the role of cross-diffusion effects, such as Soret and Dufour, on the long-ranged correlations of hydrodynamic fluctuations, which are also more accurately reproduced compared to the collocated scheme. We numerically study giant nonequilibrium fluctuations driven by concentration gradients and fluctuation-driven Rayleigh-Taylor instability in gas mixtures. Wherever applicable, excellent agreement is observed with theory and measurements from the direct simulation Monte Carlo method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Crystal Chemistry and Structural Variations for Zircon Samples from Various Localities

This study investigates the variations of structural parameters and chemistry of a partially metamict and seven detrital zircon samples from different localities using single-crystal X-ray diffraction, synchrotron high-resolution powder X-ray diffraction, and electron-probe micro-analysis techniques. The unit-cell parameters for the eight zircon samples vary linearly with increasing unit-cell volume, V. A zircon sample from the Canadian Arctic Islands has the smallest unit-cell parameters, bond distances, ideal stoichiometric composition, unaffected by α-radiation damage, and is chemically pure. A zircon sample from Jemaa, Nigeria has the largest unit-cell parameters because of the effect of α-radiation doses received over a long time (2384 Ma). All the samples show good correlations between Zr and Si apfu (atom per formula unit) versus unit-cell volume, V. The α-radiation doses in the samples are lower than ~3.5 × 1015 α-decay events/mg. Substitutions of other cations at the Zr and Si sites control the variations of the structural parameters. Relatively large unit-cell parameters and bond distances occur because the Zr site accommodates other cations that have larger ionic radii than the Zr atom. Geological age increases the radiation doses in zircon and it is related to V.

58 GEOSCIENCES↗

NASA NTRS1992

Nonadiabatic heating of the central plasma sheet at substorm onset

Heating events in the plasma sheet boundary layer and central plasma sheet are found to occur at the onset of expansive phase activity. The main effect is a dramatic increase in plasma temperature, coincident with a partial dipolarization of the magnetic field. Fluxes of energetic particles increase without dispersion during these events which occur at all radial distances up to 23 RE, the apogee of the ISEE spacecraft. A major difference between these heating events and those observed at geosynchronous distances lies in the heating mechanism which is nonadiabatic beyond 10 RE but may be adiabatic closer to earth. The energy required to account for the increase in plasma thermal energy is comparable with that required for Joule heating of the ionosphere. The plasma sheet must be considered as a major sink in the energy balance of a substorm. Lobe magnetic pressures during these events are estimated. Change in lobe pressure are generally not correlated with onsets or intensifications of expansive phase activity.

Huang, C. Y.↗

NASA NTRS2003

Crustal Structure of the Iceland Region from Spectrally Correlated Free-air and Terrain Gravity Data

Seismic refraction studies have provided critical, but spatially restricted constraints on the structure of the Icelandic crust. To obtain a more comprehensive regional view of this tectonically complicated area, we spectrally correlated free-air gravity anomalies against computed gravity effects of the terrain for a crustal thickness model that also conforms to regional seismic and thermal constraints. Our regional crustal thickness estimates suggest thickened crust extends up to 500 km on either side of the Greenland-Scotland Ridge with the Iceland-Faeroe Ridge crust being less extended and on average 3-5 km thinner than the crust of the Greenland-Iceland Ridge. Crustal thickness estimates for Iceland range from 25-35 km in conformity with seismic predictions of a cooler, thicker crust. However, the deepening of our gravity-inferred Moho relative to seismic estimates at the thermal plume and rift zones of Iceland suggests partial melting. The amount of partial melting may range from about 8% beneath the rift zones to perhaps 20% above the plume core where mantle temperatures may be 200-400 C above normal. Beneath Iceland, areally limited regions of partial melting may also be compositionally and mechanically layered

Leftwich, T. E.↗

NASA NTRS2003

Crustal Structure of the Iceland Region from Spectrally Correlated Free-air and Terrain Gravity Data

Leftwich, T. E.↗

NASA NTRS2015

Improvements in Modeling Thruster Plume Erosion Damage to Spacecraft Surfaces

Spacecraft bipropellant thrusters impact spacecraft surfaces with high speed droplets of unburned and partially burned propellant. These impacts can produce erosion damage to optically sensitive hardware and systems (e.g., windows, camera lenses, solar cells and protective coatings). On the International Space Station (ISS), operational constraints are levied on the position and orientation of the solar arrays to mitigate erosion effects during thruster operations. In 2007, the ISS Program requested evaluation of erosion constraint relief to alleviate operational impacts due to an impaired Solar Alpha Rotary Joint (SARJ). Boeing Space Environments initiated an activity to identify and remove sources of conservatism in the plume induced erosion model to support an expanded range of acceptable solar array positions  The original plume erosion model over-predicted plume erosion and was adjusted to better correlate with flight experiment results. This paper discusses findings from flight experiments and the methodology employed in modifying the original plume erosion model for better correlation of predictions with flight experiment data. The updated model has been successful employed in reducing conservatism and allowing for enhanced flexibility in ISS solar array operations.

Soares, Carlos↗

DOE OSTI2022

Superconducting phase of Ti x O y thin films grown by molecular beam epitaxy

Here we investigate the complex relationship between the growth conditions and the structural and transport properties of Ti x O y thin films grown by molecular beam epitaxy. Transport properties ranging from metallicity to superconductivity and insulating states are stabilized by effectively tuning the O/Ti ratio via the Ti flux rate and the O partial pressure P Ox for films grown on (0001)-Al 2 O 3 substrates at 850° C. A cubic c-TiO 1±δ buffer layer is formed for low O/Ti ratios, while a corundum cr-Ti 2 O 3 layer is formed under higher-oxidizing conditions. Metallicity is observed for c-TiO 1-δ buffer layers. The superconducting γ -Ti 3 O 5 Magnéli phase is found to nucleate on a c-TiO 1-δ buffer for intermediate POx conditions, and an insulator-superconducting transition is observed at 4.5 K (T$^{onset}_{C}$ = 6K) for 85 nm thick films. Strain relaxation of γ -Ti 3 O 5 occurs with increasing film thickness and correlates with a thickness-dependent increase in T C observed for Ti x O y thin films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2015

Extension and Statistical Analysis of the GACP Aerosol Optical Thickness Record.

The primary product of the Global Aerosol Climatology Project (GACP) is a continuous record of the aerosol optical thickness (AOT) over the oceans. It is based on channel-1 and -2 radiance data from the Advanced Very High Resolution Radiometer (AVHRR) instruments flown on successive National Oceanic and Atmospheric Administration (NOAA) platforms. We extend the previous GACP dataset by four years through the end of 2009 using NOAA-17 and -18 AVHRR radiances recalibrated against MODerate resolution Imaging Spectroradiometer (MODIS) radiance data, thereby making the GACP record almost three decades long. The temporal overlap of over three years of the new NOAA-17 and the previous NOAA-16 record reveals an excellent agreement of the corresponding global monthly mean AOT values, thereby confirming the robustness of the vicarious radiance calibration used in the original GACP product. The temporal overlap of the NOAA-17 and -18 instruments is used to introduce a small additive adjustment to the channel-2 calibration of the latter resulting in a consistent record with increased data density. The Principal Component Analysis (PCA) of the newly extended GACP record shows that most of the volcanic AOT variability can be isolated into one mode responsible for ~12% of the total variance. This conclusion is confirmed by a combined PCA analysis of the GACP, MODIS, andMulti-angle Imaging SpectroRadiometer (MISR) AOTs during the volcano-free period fromFebruary 2000 to December 2009.We show that the modes responsible for the tropospheric AOT variability in the three datasets agree well in terms of correlation and spatial patterns. A previously identified negative AOT trend which started in the late 1980s and continued into the early 2000s is confirmed. Its magnitude and duration indicate that it was caused by changes in tropospheric aerosols. The latest multi-satellite segment of the GACP record shows that this trend tapered off, with no noticeable AOT change after 2002. This result is consistent with the MODIS andMISR AOT records as well as with the recent gradual reversal frombrightening to dimming revealed by surface flux measurements in many aerosol producing regions. Thus the robustness of the GACP record is confirmed, increasing our confidence in the validity of the negative trend. Although the nominal negative GACP AOT trend could partially be an artifact of increasing aerosol absorption, we argue that the time dependence of the GACP record, including the latest flat period, is more consistent with the actual decrease in the tropospheric AOT.

aerosols↗

DOE OSTI2024

A new framework for higher loop Witten diagrams

The differential representation is a novel formalism for studying boundary correlators in (d + 1)-dimensional anti-de Sitter space. In this letter, we generalize the differential representation beyond tree level using the notion of operator-valued integrals. We use the differential representation to compute three-point bubble and triangle Witten diagrams with external states of conformal dimension ∆ = d. We compare the former to a position space computation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Assessing the predictive impact of factor fixing with an adaptive uncertainty-based approach .

Despite widespread use of factor fixing in environmental modeling, its effect on model predictions has received little attention and is instead commonly presumed to be negligible. We propose a proof-of-concept adaptive method for systematically investigating the impact of factor fixing. The method uses Global Sensitivity Analysis methods to identify groups of sensitive parameters, then quantifies which groups can be safely fixed at nominal values without exceeding a maximum acceptable error, demonstrated using the 21-dimensional Sobol’ G-function. Furthermore, three error measures are considered for quantities of interest, namely Relative Mean Absolute Error, Pearson Product-Moment Correlation and Relative Variance. Results demonstrate that factor fixing may cause large errors in the model results unexpectedly, when preliminary analysis suggests otherwise, and that the default value selected affects the number of factors to fix. To improve the applicability and methodological development of factor fixing, a new research agenda encompassing five opportunities is discussed for further attention.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Incorporation of Melittin Enhances Interfacial Fluidity of Bicontinuous Microemulsions

The effect of an antimicrobial peptide, melittin, on the long-range collective and local undulation motions of bicontinuous microemulsions (BμEs) was evaluated using dynamic light scattering (DLS) and neutron spin echo (NSE) spectroscopy. Small-angle neutron scattering (SANS) was also used to study the effect of melittin on the structure and the correlation length of BμEs. BμEs were isolated from Winsor-III systems formed by mixing aqueous melittin solutions containing sodium dodecyl sulfate with dodecane/1-pentanol mixtures at optimal salinity. An increase of melittin concentration linearly increased the diffusivity of the microemulsions (D DLS ) and decreased the bending rigidity (κ NSE ) up to an aqueous melittin concentration of 2 g/L, thus indicating an increase of interfacial fluidity. Further increase of melittin concentration above 2 g/L did not change D DLS and slightly increased κ NSE . The changes reflect differences of interaction between melittin and BμE surfactant monolayers at different melittin concentrations. At low concentrations, melittin is highly associated with the surfactant monolayers, likely ion-paired to the sulfate surfactant head groups and perhaps partially penetrating into the surfactant tail region. Above 2 g/L, an apparent saturation concentration, added melittin is less strongly associated with the monolayers. In contrast, the bare bending constant derived from SANS data (κ bare ) underwent only a minor decrease. Noting that κ bare reflects contributions from both the elasticity and saddle-splay moduli, this suggests that κ bare is not an effective indicator of dynamics for the BμEs investigated. Our study demonstrates that amphiphilic solubilizates can have a complex impact on dynamics of surfactant monolayers in microemulsions, with implications for transmembrane diffusion and the kinetics of release from the microemulsion phase, which are important characteristics for the use of BμEs as delivery vehicles and host systems for (bio)chemical reactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Thermally Driven Structure and Performance Evolution of Atomically Dispersed FeN[subscript 4] Sites for Oxygen Reduction

Abstract not provided

Li, Jiazhan↗

DOE OSTI2026

Ultrafast Relaxation of MLCT Excited States in Manganese Tricarbonyl Complexes: Insights from Polarization-Resolved Femtosecond X-ray Absorption Spectroscopy at the Mn and Br K-Edges

Optical absorption features that are often described as metal-to-ligand charge transfer (MLCT) bands underlie the utility of many metal coordination complexes by harnessing the energy of light to drive otherwise inaccessible chemical reactions. Excitation of these bands triggers rapid electronic dynamics that can be challenging to understand, due to complicated potential energy landscapes and highly correlated electronic and nuclear degrees of freedom in metal-containing compounds. The lowest-energy absorption bands in Mn complexes containing alpha-diimine, carbonyl, and halide ligands are particularly interesting, due to the delocalized nature of charge transfer upon excitation. Here, in this study, we report experimental ultrafast dynamics measurements for the series of compounds Mn(CO) 3 ( R bpy)Br ( R bpy = 4,4′-disubstituted-2,2′-bipyridine; R = H, CF 3 , or NO 2 ) using polarization-resolved, femtosecond X-ray absorption spectroscopy (XAS) at both the Mn and Br K edges. The appearance of a new absorption feature in the Br pre-edge spectrum upon optical excitation reveals the instantaneous formation of an electronic hole that is partially localized on the Br atom and has a lifetime that depends on the electron withdrawing character of the R bpy ligand. For two of the complexes (R = H or CF 3 ), a large expansion of the Mn–Br distance results in a rapid redistribution of the hole and a corresponding decrease in anisotropy of the absorption feature within 50 fs, after which the absorption into the hole disappears on a time scale shorter than 300 fs. We observe a different result for the NO 2 substituted compound, for which the Mn–Br bond contracts and the absorption into the Br-centered hole persists beyond the 2 ps time scale of our measurement. The Mn pre-edge spectrum also reveals structural changes for these three complexes, but the new Mn absorption features become evident only after the nuclei respond to the initial excitation, which allows mixing of Mn 3d and 4p orbitals. The combined use of ultrafast Mn and Br K-edge spectroscopy provides unique insight into the ways in which bipyridine substitution alters the excited-state dynamics, including a very different structural response for the most strongly electron withdrawing substituent.

Otolski, Christopher J. [Univ. of Kansas, Lawrence↗

DOE OSTI2021

A non‐intrusive domain‐decomposition model reduction method for linear steady‐state partial differential equations with random coefficients

Abstract Domain decomposition methods have been proved to be an effective strategy to reduce the dimension of parametric partial differential equations (PDEs). However, existing domain decomposition methods for parametric PDEs are usually intrusive, which means domain decomposition based solvers need to be implemented from scratch for each target parametric PDE. To address this issue, we develop a new non‐intrusive domain‐decomposition model reduction method for linear steady‐state PDEs with random‐field coefficients. As a variant of our previous work by Mu and Zhang, the new method only needs access to the final linear system, that is, the global stiffness matrix and the right hand side, of a deterministic PDE solver, in order to build a domain‐decomposition‐based reduced model without intrusive implementation from scratch. The key idea is to remove the interface condition between sub‐domains and rely on the correlation between columns of the linear system to couple the sub‐domains. The non‐intrusive feature enables the applicability of the proposed method to a broader class of uncertainty quantification problems, where many legacy codes/solvers can be fully reused by our method. Two numerical examples including diffusion equations with random diffusivity and convection‐dominated transport with random velocity, are provided to demonstrate the effectiveness and efficiency of our method.

Zhang, Guannan↗