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At least 379 records · Page 21

Libration of hydroxyl groups in layered aluminum (oxy)hydroxides and other material analogs: insights from inelastic neutron scattering and theory

We analyzed the hydroxyl librational signatures of five structurally related aluminum (oxy)hydroxides, using inelastic neutron scattering (INS) and plane-wave lattice dynamics simulations. A clear trend across these aluminum-containing phases illustrates the relationship between hydrogen bonding, local atomic structure, and the spectral location and profile of the librational bands. The INS spectra have been compared to previous optical spectroscopy and computational studies, highlighting the complementary nature of the INS technique. Taking into account other structurally or chemically related material analogs, we have identified a correlation between a blueshift (to higher energy) of the upper librational band edge and the geometry of the hydrogen bond interactions, mirroring (with opposite correlation) the well-known redshift in the intramolecular O–H stretching energy with increasing hydrogen bond strength. For hydroxyl groups that do not participate in hydrogen bonding effectively, the bending librations occur at lower energies and hybridize with metal–oxygen lattice modes. Standard density functional theory approximations, including dispersion corrections, struggle to correctly predict vibrational frequencies of motions dominated by H but perform well for metal–oxygen modes, allowing us to make detailed mode assignments in several cases, including a demonstration of how layer-to-layer disorder in boehmite hydrogen bond orientations is reflected in the sharp but minor low energy peaks (at ∼70–80 meV) of the INS spectrum.

Wang, Hsiu-Wen [Oak Ridge National Laboratory (ORN↗

The influence of stray magnetic fields on ion beam neutralization

An experimental investigation is described of a comparison between the ion beam neutralization characteristics of a local neutralizer (within approximately 5 cm of the beam edge) and those associated with a distant one (approximately 1 meter away from the thruster). The influence of magnetic fields in the vicinity of the neutralizer cathode orifice which are either parallel or normal to the neutralizer axis is assessed. The plasma property profiles which reflect the influence of the magnetic fields are measured. The results suggest that magnetic fields at the region of a neutralizer cathode orifice influence its ability to couple to the ion beam. They reveal that there is a potential jump from the neutralizer cathode orifice to the plasma which exists close to the orifice. This potential drop is found to increase as the axial component of magnetic flux density increases. A magnetic field perpendicular to the neutralizer axis induces a potential rise a few centimeters downstream from the neutralizer cathode.

Feng, Y.-C.↗

Dissecting the EUV spectrum of Capella

Extreme ultraviolet spectra of Capella, obtained at various orbital phases over the past two years by the EUVE satellite, show strong emission lines from a continuous distribution of temperatures (approximately 10(exp 5 -10(exp 7.3) K). In addition to the strong He II lambda 303.8, the spectra are dominated by emission lines of highly ionized iron. Strong lines of Fe IX, XV, XVI, and XVIII-XXIV are used to construct emission measure distributions for the individual pointings, which show several striking features, including a minimum near 10(exp 6) K and a local maximum at 10(exp 6.8) K. Furthermore, intensities of the highest temperature lines (Te is greater than 10(exp 7) K) show variations (factors of 2-3) at different orbital phases, while the lower temperature Fe lines show variations of about 30% or less. The low variability of most of the strong low temperature features motivates a detailed analysis of the summed spectrum. With approximately 280 ksec of total exposure time, we have measured over 200 emission features with S/N greater than or equal to 3.0 in the summed spectrum. We report here initial results from the analysis of this spectrum. We can now identify lines of Fe VIII and X-XIV, as well as a number of electron density and abundance diagnostic lines. We also report here the first direct measurement of the continuum flux around approximately 100 A in a cool star atmosphere with EUVE. The continuum flux can be predicted from the emission measure model based on Fe line emission, and demonstrates that the Fe/H abundance ratio is dose to the solar photospheric value.

Brickhouse, Nancy S.↗

Cosmological quasiparticles and the cosmological collider

The interplay between cosmology and strongly coupled dynamics can yield transient spectral features that vanish at late times, but which may leave behind phenomenological signatures in the spectrum of primordial fluctuations. Of particular interest are strongly coupled extensions of the standard model featuring approximate conformal invariance. In flat space, the spectral density for a scalar operator in a conformal field theory is characterized by a continuum with scaling law governed by the dimension of the operator, and is otherwise featureless. Anti–de Sitter/conformal field theory arguments suggest that for large 𝑁, in an inflationary background with Hubble rate 𝐻, this continuum is gapped. We demonstrate that there can be additional peak structures that become sharp and particlelike at phenomenologically interesting regions in parameter space, and we estimate their contribution to cosmological observables. We find phenomena that are potentially observable in future experiments that are unique to these models, including displaced oscillatory features in the squeezed limit of the bispectrum. These particles can be either fundamental, and localized to a UV brane, or composite at the Hubble scale, 𝐻, and bound to a horizon in the bulk of the 5D geometry. We comment on how stabilization of conformal symmetry breaking vacua can be correlated with these spectral features and their phenomenology.

conformal field theory↗

The GONG Data Reduction and Analysis System

Each of the six GONG observing stations will produce three, 16-bit, 256X256 images of the Sun every 60 sec of sunlight. These data will be transferred from the observing sites to the GONG Data Management and Analysis Center (DMAC), in Tucson, on high-density tapes at a combined rate of over 1 gibabyte per day. The contemporaneous processing of these data will produce several standard data products and will require a sustained throughput in excess of 7 megaflops. Peak rates may exceed 50 megaflops. Archives will accumulate at the rate of approximately 1 terabyte per year, reaching nearly 3 terabytes in 3 yr of observing. Researchers will access the data products with a machine-independent GONG Reduction and Analysis Software Package (GRASP). Based on the Image Reduction and Analysis Facility, this package will include database facilities and helioseismic analysis tools. Users may access the data as visitors in Tucson, or may access DMAC remotely through networks, or may process subsets of the data at their local institutions using GRASP or other systems of their choice. Elements of the system will reach the prototype stage by the end of 1988. Full operation is expected in 1992 when data acquisition begins.

Pintar, James A.↗

Mariner 9 Ultraviolet Spectrometer Experiment: Mars Atomic Oxygen 1304-A Emission

Selected results are presented for an analysis of Mariner 9 1304-A data from the first 100 passes. Based on a comparison of limb data, the exospheric temperature appears lower on several Mariner 9 passes than when Mariner 6 and 7 encountered the planet in 1969. Temperatures of 300 and 350 K are considered in the atmospheric modeling. At 300 K, derived values of the atomic oxygen concentration are typically between 0.5 and 1 percent of the total density at 135 km, based on fitting theoretical intensities to limb data from several passes. Structure in the limb data below 200 km suggests the possibility that approximately 0.2 kR of the observed approximately 0.8 kR near 150 km is due to dissociative excitation of CO2. There is variability in limb profiles indicating changes in the O distribution with time. The variability does not appear to follow a recognizable pattern. Interpretation of the 1304-A disc data shows a correlation in intensity with the 10.7 cm solar flux and larger O concentrations in the afternoon than in the morning. The correlation in intensity with the 10.7 cm flux is probably due largely to variation in the solar 1304-A fluxes. Selected disc data show localized and random enhancements in the intensity.

Strickland, D. J.↗

How Many Bursts Does It Take to Form a Core at the Center of a Galaxy?

We present a novel method for systematically assessing the impact of the central potential fluctuations associated with bursty outflows on the structures of dark matter halos for classical and ultrafaint dwarf (UFD) galaxies. Specifically, we use dark-matter-only simulations augmented with a manually added massive particle that modifies the central potential and approximately accounts for a centrally concentrated baryonic component. This approach enables precise control over the magnitude, frequency, and timing of rapid outflow events. We demonstrate that this method can reproduce the established result of core formation for systems that undergo multiple episodes of bursty outflows. In contrast, we also find that equivalent models involving only single (or a small number of) burst episodes do not form cores with the same efficacy. This is important because many UFDs in the local Universe are observed to have tightly constrained star formation histories that are best described by a single early burst of star formation. Using a suite of cosmological zoom-in simulations, we identify the regimes in which single bursts can and cannot form a cored density profile. Our results suggest that it may be difficult to form cores in UFD-mass systems with a single early burst, regardless of its magnitude.

cold dark matter↗

Some possible effects of Jupiter's rings on the Jovian inner plasmasphere

The ionospheric plasma density on magnetic field lines threading the Jovian rings which are located inside approximately 1.8 Jupiter radii on the jovigraphic equatorial plane is calculated by using a rotating ion exosphere model. It is found that the bulk of the ionospheric particles on these field lines are on ballistic trajectories. On field lines approximately symmetric with respect to the jovigraphic equator, the ring, which to a first approximation would absorb the population of trapped particles, consequently has little effect. On field lines which are made asymmetric by the higher-order multipoles of Jupiter's field and the tilt of the dipole axis, the rings may have a significant effect. It is suggested that better definition of the rings' atmospheric and ionospheric properties is required to model these localized effects. If the rings are found to be an important plasma source for the inner magnetosphere, the present exospheric model will have to be revised.

Luhmann, J. G.↗

Simulations of Quantum Approximate Optimization Algorithm on HPC-QC Integrated Systems

The Quantum Approximate Optimization Algorithm (QAOA) has emerged as a promising tool for accelerating optimization processes in the Noisy Intermediate-Scale Quantum (NISQ) era. Compared to classical methods, QAOA efficiently solves optimization problems, often formulated as Quadratic Unconstrained Binary Optimization (QUBO) problems. Classical quantum simulators are crucial for evaluating quantum algorithms due to limited quantum resources. However, QAOA's performance can vary with different simulation methods. This study analyzes QAOA's performance using various quantum simulators (e.g., density _matrix, statevector, and matrix_product_state) and demonstrates the benefits of HPC-QC integrated systems in solving QUBO problems on an active learning workflow. By simulating QAOA on dense, large-matrix QUBO problems, we evaluate accuracy and problem-solving time. We also assess QAOA's performance on local computers and HPC-QC inte-grated systems, using Oak Ridge Leadership Computing Facility (OLCF)'s Frontier supercomputer with local Qiskit Aer and remote IBM Quantum simulators.

Kim, Seongmin [ORNL] (ORCID:0000000159063004)↗

The galactic spheroid

Analytic approximations and numerical simulations are used to derive the characteristic behavior of star counts in a galactic spheroidal population, whose visible stars' stellar luminosity function is obtainable for galactocentric distances between about 4 and 12 kpc from star count observations above 30 deg galactic latitude. The total densities of stars and of mass in the spheroid at the solar position are evaluated using different assumed luminosity functions, in order to extrapolate the measured values to a wider range of absolute magnitudes. The upper limits to the frequency of intermediate population stars are derived for the absolute visual magnitude range of 5-8. If such stars occur in either a flat disk with a scale height of 3 kpc or a spheroid with an ellipticity of 0.5, their local surface density is less than 1.8 times that of the spheroid.

Bahcall, J. N.↗

Effects of the Mount Pinatubo eruption on the radiative and chemical processes in the troposphere and stratosphere

The Lawrence Livermore National Laboratory two-dimensional zonally-averaged chemical-radiative-transport model of the global atmosphere was used to study the effects of the 15 June 1991 eruption of the Mt. Pinatubo volcano on stratospheric processes. SAGE 2 time-dependent aerosol surface area density and optical extinction data were used as input into the model. By 22 December 1991, a maximum equatorial change of -1.8 percent in column ozone was derived from heterogeneous chemical processes that convert NO(x) into HNO3 on sulfuric acid aerosols. Radiative feedbacks from increased aerosol optical thickness independently changes column ozone by approximately -3.5 percent for the same period. This occurs from increasing the net heating of the lower stratosphere, which indirectly increases chemical reaction rates via their temperature dependence and from changes in actinic fluxes, which directly modify photodissociation rates. Including both heterogeneous and radiative effects changes column ozone by -5.5 percent. The model-derived change overestimates the decrease in column ozone relative to the TOMS instrument on the Nimbus 7 satellite. Maximum local ozone decreases of 12 percent were derived in the equatorial region, at 25 km. Model-derived column NO2 peaked (-14 percent) at 30 deg S in October 1991. The timing of the NO2 peak is consistent with observation, but the model underestimates the magnitude of the decrease. Local concentrations of NO(x) (NO + NO2), ClO(x) (Cl + ClO), and HO(x) (OH + HO2), in the lower stratosphere between 30 deg S and 30 deg N, were calculated to have changed by -40 percent, +100 to +160 percent, and +120 to +140 percent respectively.

Kinnison, Douglas E.↗

Model Insensitive and Calibration Independent Method for Determination of the Downstream Neutral Hydrogen Density Through Ly-alpha Glow Observations

Our knowledge of the various heliospheric phenomena (location of the solar wind termination shock, heliopause configuration and very local interstellar medium parameters) is limited by uncertainties in the available heliospheric plasma models and by calibration uncertainties in the observing instruments. There is, thus, a strong motivation to develop model insensitive and calibration independent methods to reduce the uncertainties in the relevant heliospheric parameters. We have developed such a method to constrain the downstream neutral hydrogen density inside the heliospheric tail. In our approach we have taken advantage of the relative insensitivity of the downstream neutral hydrogen density profile to the specific plasma model adopted. We have also used the fact that the presence of an asymmetric neutral hydrogen cavity surrounding the sun, characteristic of all neutral densities models, results in a higher multiple scattering contribution to the observed glow in the downstream region than in the upstream region. This allows us to approximate the actual density profile with one which is spatially uniform for the purpose of calculating the downstream backscattered glow. Using different spatially constant density profiles, radiative transfer calculations are performed, and the radial dependence of the predicted glow is compared with the observed I/R dependence of Pioneer 10 UV data. Such a comparison bounds the large distance heliospheric neutral hydrogen density in the downstream direction to a value between 0.05 and 0.1/cc.

Gangopadhyay, P.↗

Bidirectional Reflectance of a Macroscopically Flat, High-Albedo Particulate Surface: An Efficient Radiative Transfer Solution and Applications to Regoliths

Many remote sensing applications rely on accurate knowledge of the bidirectional reflection function (BRF) of surfaces composed of discrete, randomly positioned scattering particles. Theoretical computations of BRFs for plane-parallel particulate layers are usually reduced to solving the radiative transfer equation (RTE) using one of existing exact or approximate techniques. Since semi-empirical approximate approaches are notorious for their low accuracy, violation of the energy conservation law, and ability to produce unphysical results, the use of numerically exact solutions of RTE has gained justified popularity. For example, the computation of BRFs for macroscopically flat particulate surfaces in many geophysical publications is based on the adding-doubling (AD) and discrete ordinate (DO) methods. A further saving of computer resources can be achieved by using a more efficient technique to solve the plane-parallel RTE than the AD and DO methods. Since many natural particulate surfaces can be well represented by the model of an optically semi-infinite, homogeneous scattering layer, one can find the BRF directly by solving the Ambartsumian's nonlinear integral equation using a simple iterative technique. In this way, the computation of the internal radiation field is avoided and the computer code becomes highly efficient and very accurate and compact. Furthermore, the BRF thus obtained fully obeys the fundamental physical laws of energy conservation and reciprocity. In this paper, we discuss numerical aspects and the computer implementation of this technique, examine the applicability of the Henyey-Greenstein phase function and the sigma-Eddington approximation in BRF and flux calculations, and describe sample applications demonstrating the potential effect of particle shape on the bidirectional reflectance of flat regolith surfaces. Although the effects of packing density and coherent backscattering are currently neglected, they can also be incorporated. The FORTRAN implementation of the technique is available on the World Wide Web, and can be applied to a wide range of remote sensing problems. BRF computations for undulated (macroscopically rough) surfaces are more complicated and often rely on time consuming Monte Carlo procedures. This approach is especially inefficient for optically thick, weakly absorbing media (e.g., snow and desert surfaces at visible wavelengths since a photon may undergo many internal scattering events before it exists the medium or is absorbed. However, undulated surfaces can often be represented as collections of locally flat tilted facets characterized by the BRF found from the traditional plane parallel RTE. In this way the MOnte Carlo procedure could be used only to evaluate the effects of surface shadowing and multiple surface reflections, thereby bypassing the time-consuming ray tracing inside the medium and providing a great savings of CPU time.

Mishchenko, Michael I.↗

The Effect Stacking Fault Segregation and Phase Transformations have on Creep Strength in Ni-based Superalloys

In this study, two commercially similar polycrystalline Ni-based disk superalloys (LSHR and ME3) were creep tested at 760C and 552MPa to approximately 0.3% plastic strain. LSHR consistently displayed superior creep properties at this stress/temperature regime even though the microstructural characteristics between the two alloys were comparable. High resolution structural and chemical analysis, however, revealed significant differences between the two alloys among active gamma prime shearing modes involving superlattice intrinsic and extrinsic stacking faults. In ME3, Co and Cr segregation and Ni and Al depletion were observed along the intrinsic faults - revealing a gamma prime -to- gamma phase transformation. Conversely in LSHR, an alloy with a higher W content, Co and W segregation was observed along the intrinsic faults. This observation combined with scanning transmission electron microscopy (STEM) simulations confirm a gamma prime-to-D019 phase transformation along the intrinsic faults in LSHR. Using experimental observations and density functional theory calculations, a novel local phase transformation strengthening mechanism is proposed that could be further utilized to improve the high temperature creep capabilities of Ni-base disk alloys.

Superalloy↗

The localized origin of equatorial F region irregularity patches

An intensive study of nighttime irregularities of electron density in the equatorial ionosphere was performed in October 1976 by making 50-MHz radar backscatter measurements at Jicamarca, Peru, and scintillation measurements of 249-MHz transmissions from Les 9 at two ground stations (Ancon and Huancayo, both in Peru) as well as by aircraft flying in the vicinity of the stations. The 137-MHz scintillations from the orbiting Wideband satellite were also recorded at Huancayo. The results of such measurements made on October 16-17, 1976, are discussed in this report. We find that on this particular night a large-scale irregularity patch evolved first in the west, as was detected by the radar at Jicamarca, and drifted eastward to cause successive onsets of scintillation activity on propagation paths from Ancon and Huancayo. The observations indicate the east-west dimension of the large-scale structure to be 400 km drifting eastward at a speed of approximately 100 m/s, having a lifetime of several hours, and containing a hierarchy of irregularity scale sizes in the range of kilometers to meters causing both scintillations at 249 MHz and radar backscatter at 50 MHz.

Aarons, J.↗

Ultrasonic characterization of material heterogeneities in stainless steel components produced by laser powder bed fusion

We introduce pulse-echo ultrasound as a method for characterizing the impact of powder bed fusion parameters on the properties of additively manufactured stainless-steel components, their material anisotropy, and location-dependent heterogeneity. Our results indicate that accurate characterization requires careful selection of ultrasonic propagation paths, which must consider the direction of additive layering, variations in processing parameters, and the component's geometry. We employed two distinct methods to estimate material properties from ultrasonic data: One assumes isotropy, while the other accounts for anisotropic interactions during the propagation of elastic waves. When applied to samples fabricated with laser energy densities ranging from 24 to 42 J/mm³ , these methods revealed transverse isotropy and weak anisotropy (quantified by small Thomsen parameters, ε = 0.0651 and γ = 0.0092) and less than a ∼6 % change in acoustic impedance. The assumption of isotropy, in this case, leads to small errors (less than 4 % or 1 % for Young's modulus in the build or transverse directions) when estimating orthotropic material properties using ultrasonic data measured along just two orthogonal directions, one of which must align with the build direction. By comparing ultrasonic measurements — which aggregate the spatial variability in material properties along the length of elastic wave propagation into a single value — with localized measurements obtained from surface nanoindentation, we uncovered and spatially profiled significant differences between the surface and interior properties. Specifically, the surface Young's modulus decreased from approximately 210 GPa to 180 GPa within a depth of about 3 mm. We attribute this surface-localized heterogeneity in PBF-fabricated components to distinct thermal histories experienced by the surface and interior regions. Collectively, the results of this study establish a framework for the ultrasonic characterization of material heterogeneity and anisotropy in material properties and demonstrate its application in additively manufactured metal components.

36 MATERIALS SCIENCE↗

Diode Laser Sensors for Arc-Jet Characterization

The development and application of tunable diode laser (TDL) absorption sensors to monitor the health and operating conditions in the large-scale 60 MW arc-heated- plasma wind-tunnel at NASA Ames Research Center is reported. The interactive heating facility (THF) produces re-entry flow conditions by expanding the gas heated in a constricted plasma arc-heater to flow at high velocity over a model located in a test cabin. This facility provides the conditions needed to test thermal protective systems for spacecraft re-entering the earth s atmosphere. TDL sensors are developed to monitor gas flows in both the high-temperature constricted flow and the supersonic expansion flow into test cabin. These sensors utilize wavelength-tuned diode lasers to measure absorption transitions of atomic oxygen near 777.2 nm, atomic nitrogen near 856.8 nm, and atomic copper near 793.3 nm. The oxygen and nitrogen sensors measure the population density in exited electronic states of these atoms. The measurements combined with the assumption of local thermal and chemical equilibrium yield gas temperature (typically near 7,000K). The nitrogen and oxygen population temperatures are redundant, and their close agreement provides an important test of the local thermal equilibrium assumption. These temperature sensors provide time-resolved monitors of the operating conditions of the arc-heater and can be used to verify and control the test conditions. An additional TDL sensor was developed to monitor the copper concentration in the arc-heater flow yielding values as high as 13 ppm. Measurements of copper in the flow can identify flow conditions with unacceptably rapid electrode erosion, and hence this sensor provides valuable information needed to schedule maintenance to avoid costly arc-heater failure. TDL sensors were also developed for measurements in the test cabin, where absorption measurements of the populations of argon and molecular nitrogen in excited metastable electronic states established that the number density of these excited species is much lower than estimated using frozen-chemistry approximations. This key finding suggests that in the post-expansion region there is not a significant energy sequestration in electronically excited species. Finally, TDL measurements of atomic potassium seeded into the test cabin flow were used to directly measure the static temperature of the test gas. The results of this study illustrate the high potential of time-resolved TDL measurements for routine and economical sensing of arc-heater health (gas temperature and electrode erosion) as well as the time-resolved test-cabin-flow conditions in front of the model.

Hanson, Ronald K.↗

Cometary water-group ions in the region surrounding Comet Giacobini-Zinner - Distribution functions and bulk parameter estimates

The bulk parameters (number density and thermal energy density) of cometary water-group ions in the region surrounding Comet Giacobini-Zinner have been derived using data from the EPAS instrument on the ICE spacecraft. The derivation is based on the assumption that the pick-up ion distribution function is isotropic in the frame of the bulk flow, an approximation which has previously been shown to be reasonable within about 400,000 km of the comet nucleus along the spacecraft trajectory. The transition between the pick-up and mass-loaded regions occurs at the cometary shock, which was traversed at a cometocentric distance of about 100,000 km along the spacecraft track. Examination of the ion distribution functions in this region, transformed to the bulk flow frame, indicates the occurrence of a flattened distribution in the vicinity of the local pick-up speed, and a steeply falling tail at speeds above, which may be approximated as an exponential in ion speed.

Staines, K.↗