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DOE OSTI2014

Low-temperature ferromagnetic properties in Co-doped Ag{sub 2}Se nanoparticles

β-Ag{sub 2}Se is a topologically nontrivial insulator. The magnetic properties of Co-doped Ag{sub 2}Se nanoparticles with Co concentrations up to 40% were investigated. The cusp of zero-field-cooling magnetization curves and the low-temperature hysteresis loops were observed. With increasing concentration of Co{sup 2+} ions mainly substituting Ag{sub I} sites in the Ag{sub 2}Se structure, the resistivity, Curie temperature T{sub c}, and magnetization increased. At 10 T, a sharp drop of resistance near T{sub c} was detected due to Co dopants. The ferromagnetic behavior in Co-doped Ag{sub 2}Se might result from the intra-layer ferromagnetic coupling and surface spin. This magnetic semiconductor is a promising candidate in electronics and spintronics.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Real-space Berry phases: Skyrmion soccer (invited)

Berry phases occur when a system adiabatically evolves along a closed curve in parameter space. This tutorial-like article focuses on Berry phases accumulated in real space. In particular, we consider the situation where an electron traverses a smooth magnetic structure, while its magnetic moment adjusts to the local magnetization direction. Mapping the adiabatic physics to an effective problem in terms of emergent fields reveals that certain magnetic textures, skyrmions, are tailormade to study these Berry phase effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

The electronic states of TeH{sup +}: A theoretical contribution

This work reports the first theoretical characterization of a manifold of electronic states of the as yet experimentally unknown monotellurium monohydride cation, TeH{sup +}. Both Λ + S and Ω representations were described showing the twelve states correlating with the three lowest (Λ + S) dissociation channels, and the twenty five states associated with the five lowest Ω channels. The X {sup 3}Σ{sup −} state is split into X{sub 1} 0{sup +} and X{sub 2} 1 separated by 1049 cm{sup −1}; they are followed by the states a 2 (a {sup 1}Δ) and b 0{sup +} (b {sup 1}Σ{sup +}) higher in energy by 8554 and 17 383 cm{sup −1}, respectively. These states can accommodate several vibrational energy levels. The potential energy curves of the Ω states arising from the bound A {sup 3}Π, the weakly bound {sup 1}Π, and the repulsive {sup 5}Σ{sup −} states have a complex structure as shown by the very close avoided crossings just above ∼30 000 cm{sup −1}. In particular, a double minima potential results for the state A{sub 1} 2 that in principle could be probed experimentally through the A{sub 1} 2–X{sub 2} 1 system transitions. The states A{sub 2} 1, b 0{sup +}, and A{sub 4} 0{sup +} offer possible routes to experimental investigations involving the ground state X{sub 1} 0{sup +}. Higher energy states are very dense and mostly repulsive. The high-level of the electronic structure calculations, by providing a global view of the electronic states and reliable spectroscopic parameters, is expected to further guide and motivate experimental studies on this species. Additional discussions on dipole and transition dipole moments, transition probabilities, radiative lifetimes, and a simulation of the single ionization spectrum complement the characterization of this system.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2015

Dependence of inverse-spin Hall effect and spin-rectified voltage on tantalum thickness in Ta/CoFeB bilayer structure

Ta-layer thickness (t{sub Ta}) dependence of the measured DC voltage V from the inverse-spin Hall effect (ISHE) in Ta/CoFeB bilayer structure is experimentally investigated using the ferromagnetic resonance in the TE{sub 011} resonant cavity. The ISHE signals excluding the spin-rectified effect (SRE) were separated from the fitted curve of V against t{sub Ta}. For t{sub Ta} ≈ λ{sub Ta} (Ta-spin diffusion length = 2.7 nm), the deviation in ISHE voltage V{sub ISH} between the experimental and theoretical values is significantly increased because of the large SRE contribution, which also results in a large deviation in the spin Hall angle θ{sub SH} (from 10% to 40%). However, when t{sub Ta} ≫ λ{sub Ta}, the V{sub ISH} values are consistent with theoretical values because the SRE terms become negligible, which subsequently improves the accuracy of the obtained θ{sub SH} within 4% deviation. The results will provide an outline for an accurate estimation of the θ{sub SH} for materials with small λ value, which would be useful for utilizing the spin Hall effect in a 3-terminal spintronic devices in which magnetization can be controlled by in-plane current.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Initiation and early evolution of the coronal mass ejection on 2009 May 13 from extreme-ultraviolet and white-light observations

We present the results of the observations of a coronal mass ejection (CME) that occurred on 2009 May 13. The most important feature of these observations is that the CME was observed from the very early stage (the solar surface) up to a distance of 15 solar radii (R {sub ☉}). Below 2 R {sub ☉}, we used the data from the TESIS extreme-ultraviolet telescopes obtained in the Fe 171 Å and He 304 Å lines, and above 2 R {sub ☉}, we used the observations of the LASCO C2 and C3 coronagraphs. The CME was formed at a distance of 0.2-0.5R {sub ☉} from the Sun's surface as a U-shaped structure, which was observed both in the 171 Å images and in the white light. Observations in the He 304 Å line showed that the CME was associated with an erupting prominence, which was not located above—as the standard model predicts—but rather in the lowest part of the U-shaped structure close to the magnetic X point. The prominence location can be explained with the CME breakout model. Estimates showed that CME mass increased with time. The CME trajectory was curved—its heliolatitude decreased with time. The CME started at a latitude of 50° and reached the ecliptic plane at distances of 2.5 R {sub ☉}. The CME kinematics can be divided into three phases: initial acceleration, main acceleration, and propagation with constant velocity. After the CME, onset GOES registered a sub-A-class flare.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

The Sloan Digital Sky Survey Reverberation Mapping project: Ensemble spectroscopic variability of quasar broad emission lines

We explore the variability of quasars in the Mg ii and Hβ broad emission lines and ultraviolet/optical continuum emission using the Sloan Digital Sky Survey Reverberation Mapping project (SDSS-RM). This is the largest spectroscopic study of quasar variability to date: our study includes 29 spectroscopic epochs from SDSS-RM over 6 months, containing 357 quasars with Mg ii and 41 quasars with Hβ. On longer timescales, the study is also supplemented with two-epoch data from SDSS-I/II. The SDSS-I/II data include an additional 2854 quasars with Mg ii and 572 quasars with Hβ. The Mg ii emission line is significantly variable (Δf/f∼10% on ∼100-day timescales), a necessary prerequisite for its use for reverberation mapping studies. The data also confirm that continuum variability increases with timescale and decreases with luminosity, and the continuum light curves are consistent with a damped random-walk model on rest-frame timescales of ≳5 days. We compare the emission-line and continuum variability to investigate the structure of the broad-line region. Broad-line variability shows a shallower increase with timescale compared to the continuum emission, demonstrating that the broad-line transfer function is not a δ-function. Hβ is more variable than Mg ii (roughly by a factor of ∼1.5), suggesting different excitation mechanisms, optical depths and/or geometrical configuration for each emission line. The ensemble spectroscopic variability measurements enabled by the SDSS-RM project have important consequences for future studies of reverberation mapping and black hole mass estimation of 1<z<2 quasars.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Strain-rate dependence of ramp-wave evolution and strength in tantalum

We have conducted molecular dynamics (MD) simulations of quasi-isentropic ramp-wave compression to very high pressures over a range of strain rates from 10 11 down to 10 8 1/s. Using scaling methods, we collapse wave profiles from various strain rates to a master profile curve, which shows deviations when material response is strain-rate dependent. Thus, we can show with precision where, and how, strain-rate dependence affects the ramp wave. We find that strain rate affects the stress-strain material response most dramatically at strains below 20%, and that above 30% strain the material response is largely independent of strain rate. We show good overall agreement with experimental stress-strain curves up to approximately 30% strain, above which simulated response is somewhat too stiff. We postulate that this could be due to our interatomic potential or to differences in grain structure and/or size between simulation and experiment. Strength is directly measured from per-atom stress tensor and shows significantly enhanced elastic response at the highest strain rates. As a result, this enhanced elastic response is less pronounced at higher pressures and at lower strain rates.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Three-dimensional super line-localization in low signal-to-noise microscope images via prior-apprised unsupervised learning (PAUL)

Biological processes such as processive enzyme turnover and intracellular cargo tracking involve the dynamic motion of a small "article" along a curvilinear biopolymer track. To understand these processes that occur across multiple length and time scales, one must acquire both the trajectory of the particle and the position of the track along which it moves, possibly by combining high-resolution single-particle tracking with conventional microscopy. Yet, usually there is a significant resolution mismatch between these modalities: while the tracked particle is localized with a precision of 10 nm, the image of the surroundings is limited by optical difraction, with 200 nm lateral and 500 nm axial resolutions. Compared to the particle's trajectory, the surrounding curvilinear structure appears as a blurred and noisy image. This disparity in the spatial resolutions of the particle trajectory and the surrounding curvilinear structure image makes data reconstruction, as well as interpretation, particularly challenging. Analysis is further complicated when the curvilinear structures are oriented arbitrarily in 3D space. Here, we present a prior-apprised unsupervised learning (PAUL) approach to extract information from 3D images where the underlying features resemble a curved line such as a filament or microtubule. This three-stage framework starts with a Hessian-based feature enhancement, which is followed by feature registration, where local line segments are detected on repetitively sampled subimage tiles. In the final stage, statistical learning, segments are clustered based on their geometric relationships. Principal curves are then approximated from each segment group via statistical tools including principal component analysis, bootstrap and kernel transformation. This procedure is characterized on simulated images, where sub-voxel medium deviations from true curves have been achieved. The 3D PAUL approach has also been implemented for successful line localization in experimental 3D images of gold nanowires obtained using a multifocal microscope. Lastly, this work not only bridges the resolution gap between two microscopy modalities, but also allows us to conduct 3D super line-localization imaging experiments, without using super-resolution techniques.

42 ENGINEERING↗

DOE OSTI2016

SU-F-T-215: An Investigation Of Multi-Scanner CT Hounsfield Unit Calibration for Pencil Beam Scanning Proton Therapy Using 3D Gamma Analysis

Purpose: We compare and investigate the dosimetric impacts on pencil beam scanning (PBS) proton treatment plans generated with CT calibration curves from four different CT scanners and one averaged ‘global’ CT calibration curve. Methods: The four CT scanners are located at three different hospital locations within the same health system. CT density calibration curves were collected from these scanners using the same CT calibration phantom and acquisition parameters. Mass density to HU value tables were then commissioned in a commercial treatment planning system. Five disease sites were chosen for dosimetric comparisons at brain, lung, head and neck, adrenal, and prostate. Three types of PBS plans were generated at each treatment site using SFUD, IMPT, and robustness optimized IMPT techniques. 3D dose differences were investigated using 3D Gamma analysis. Results: The CT calibration curves for all four scanners display very similar shapes. Large HU differences were observed at both the high HU and low HU regions of the curves. Large dose differences were generally observed at the distal edges of the beams and they are beam angle dependent. Out of the five treatment sites, lung plans exhibits the most overall range uncertainties and prostate plans have the greatest dose discrepancy. There are no significant differences between the SFUD, IMPT, and the RO-IMPT methods. 3D gamma analysis with 3%, 3 mm criteria showed all plans with greater than 95% passing rate. Two of the scanners with close HU values have negligible dose difference except for lung. Conclusion: Our study shows that there are more than 5% dosimetric differences between different CT calibration curves. PBS treatment plans generated with SFUD, IMPT, and the robustness optimized IMPT has similar sensitivity to the CT density uncertainty. More patient data and tighter gamma criteria based on structure location and size will be used for further investigation.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Exploring the Effectiveness of Carbon Cloth Electrodes for All-Vanadium Redox Flow Batteries

Vanadium redox flow batteries (VRFBs) have shown to be a promising technology for integrating intermittent renewable energy sources into the existing electrical grid. Incorporation of carbon cloth electrodes into VRFB is an area of interest for their enhanced electrochemical performance, however, issues with performance degradation throughout the duration of the experiment persist. This study investigates the performance evolution of carbon cloth electrodes during VRFB cycling to build a hypothesis on possible reasons for the declining performance. Electrochemical impedance spectroscopy and polarization curve measurements are used in conjunction to monitor the electrode degradation and shed light on the effectiveness of carbon cloth electrodes during extended cycling experiments. A detailed investigation into the structure of the carbon cloth electrodes before and after cycling, via several material characterization tests, provides insight needed to determine an explanation for the increasing resistance. The structural integrity and surface morphology of the carbon cloth electrodes are evaluated to compare the electrode before and after cycling, displaying any changes to the electrode due to cycling. Durability of hydrophilicity during RFB cycling is found to be a key feature for future carbon cloth electrode design efforts.

25 ENERGY STORAGE↗

DOE OSTI2025

TEAMER – Enhanced Flow Measurement for Aquantis Tidal Turbine Test

The AQ10 is a floating, two-bladed, passive yawing tidal turbine developed by Aquantis that has a 10-meterrotor diameter, 160 kW rating, and employs reliable off-the-shelf powertrain and power conversion hardware. Aquantis is planning on-water turbine power performance and loads (blade loading and thrust)testing, where the turbine will be pushed through still water up to 4 knots and placed in a ‘station keeping’ tow in a tidal race up to its rated speed. On-water testing will be conducted using vessels and floating platforms on the sea surface to improve ease of testing and reduce disturbance to the environment. In this TEAMER project, Pacific Northwest National Laboratory (PNNL) will conduct water velocity and turbulence measurements in front of the turbine during on-water testing using acoustic Doppler instrumentation. By measuring both the tidal current flowing past the turbine and the resulting electrical power output, test results will provide a power curve (power vs flow speed) for the turbine up to rated power. Measurements of turbulence and velocity shear in front of the rotor will also provide information to assess the structural response of the rotor blades. With this analysis, Aquantis can use the performance and loads data to validate Tidal Bladed and OpenFAST simulations of the measured operating conditions. Measuring the power performance of a prototype turbine is a valuable step to improving device development and conducting a complete power performance assessment to IEC/TS 62600-200 standards in the future.

16 TIDAL AND WAVE POWER↗

DOE OSTI2024

The Landscape of Thermal Transients from Supernovae Interacting with a Circumstellar Medium

The interaction of supernova ejecta with a surrounding circumstellar medium (CSM) generates a strong shock, which can convert ejecta kinetic energy into observable radiation. Given the diversity of potential CSM structures (arising from diverse mass-loss processes such as late-stage stellar outbursts, binary interaction, and winds), the resulting transients can display a wide range of light-curve morphologies. We provide a framework for classifying the transients arising from interaction with a spherical CSM shell. The light curves are decomposed into five consecutive phases, starting from the onset of interaction and extending through shock breakout and subsequent shock cooling. The relative prominence of each phase in the light curve is determined by two dimensionless quantities representing the CSM-to-ejecta mass ratio η, and the breakout parameter ξ. These two parameters define four light-curve morphology classes, where each class is characterized by the location of the shock breakout and the degree of deceleration as the shock sweeps up the CSM. We compile analytic scaling relations connecting the luminosity and duration of each light-curve phase to the physical parameters. We then run a grid of radiation hydrodynamics simulations for a wide range of ejecta and CSM parameters to numerically explore the landscape of interaction light curves, and to calibrate and confirm the analytic scalings. We connect our theoretical framework to several case studies of observed transients, highlighting the relevance in explaining slow-rising and superluminous supernovae, fast blue optical transients, and double-peaked light curves.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1975

Exponential kinetics of formation of organic microstructures

Organic microstructure production in Miller-Urey spark discharge flasks is an energy-dependent, autocatalytic process which follows first order kinetics similar to microbial growth curves. These relationships hold for all three major morphological types of microstructures observed. The three types are assembled from smaller precursor subunits which associate according to a binomial distribution. These structures could have formed bounded systems in which pre-biological processes might have occurred.

Fraser, C. L.↗

NASA NTRS1979

Tensile and flexural strength of nongraphitic superhybrid composites - Predictions and comparisons

Equations are presented and described which can be used to predict bounds on the tensile and flexural strengths of nongraphitic superhybrid (NGSH) composites. These equations are derived by taking into account the measured stress-strain behavior, the lamination residual stresses and the sequence of events leading to fracture. The required input for using these equations includes constituent composites, elastic and strength properties, NGSH elastic properties, cure temperature, and ply stress influence coefficients. Results predicted by these equations are in reasonably good agreement with measured data for strength and for the apparent 'knees' in the nonlinear stress-strain curve. The lower bound values are conservative compared to measured data. These equations are relatively simple and should be suitable for use in the preliminary design and initial sizing of structural components made from NGSH composites.

Chamis, C. C.↗

NASA NTRS1980

On sound transmission into a stiffened cylindrical shell with rings and stringers treated as discrete elements

In the context of the transmission of airborne noise into an aircraft fuselage, a mathematical model is presented for the transmission of an oblique plane sound wave into a finite cylindrical shell stiffened by stringers and ring frames. The rings and stringers are modeled as discrete structural elements. The numerical case studied was typical of a narrow-bodied jet transport fuselage. The numerical results show that the ring-frequency dip in the transmission loss curve that is present for a monocoque shell is still present in the case of a stiffened shell. The ring frequency effect is a result of the cylindrical geometry of the shell. Below the ring frequency, stiffening does not appear to have any significant effect on transmission loss, but above the ring frequency, stiffeners can enhance the transmission loss of a cylindrical shell.

Koval, L. R.↗

NASA NTRS1989

Rotation of the photospheric magnetic fields: A north-south asymmetry

During most of solar cycle 21 the large-scale photospheric field rotated more rapidly in the Northern Hemisphere than in the southern. The large-scale northern field rotated with a 26.9 day period (synodic), was centered at 15 degress N, and covered a latitude zone about 24 degrees wide. The large-scale southern field rotated with a periodicity of 28.1 days, was centered at 26 degrees S, and covered a latitude zone about 32 degrees wide. Our analysis showed rotational power at only a few discrete latitudes and frequencies in each hemisphere. The center of each peak lies near the sunspot differential rotation curve. The largest scale field contributes to the configuration of the coronal and interplanetary magnetic field (IMF). The strength of the first harmonic of the northern field suggests that this structure may be related to the 4-sector pattern observed in the IMF polarity. The southern field had much lower power at the first harmonic of the solar rotation rate and so would contribute only to a 2-sector structure in the IMF. These results were discovered in Fourier analysis of photospheric synoptic charts obtained at the Wilcox Solar Observatory from 1976 to 1986 and confirmed in higher resolution maps from the National Solar Observatory. Mt. Wilson magnetic field measurements from solar cycle 20 show a similar north-south asymmetry.

Antonucci, E.↗

NASA NTRS1990

Rotation of the photospheric magnetic fields - A north-south asymmetry

During most of solar cycle 21 the large-scale photospheric field rotated more rapidly in the Northern Hemisphere than in the southern. The large-scale northern field rotated with a 26.9 day period (synodic), was centered at 15 degrees N, and covered a latitude zone about 24 degrees wide. The large-scale southern field rotated with a periodicity of 28.1 days, was centered at 26 degrees S, and covered a latitude zone about 32 degrees wide. Our analysis showed rotational power at only a few discrete latitudes and frequencies in each hemisphere. The center of each peak lies near to the sunspot differential rotation curve. The largest scale field contributes to the configuration of the coronal and interplanetary magnetic field (IMF). The strength of the first harmonic of the northern field suggests that this structure may be related to the 4-sector pattern observed in the IMF polarity. The southern field had much lower power at the first harmonic of the solar rotation rate and so would contribute only to a 2-sector structure in the IMF. These results were discovered in Fourier analysis of photospheric synoptic charts obtained at the Wilcox Solar Observatory from 1976 to 1986 and confirmed in higher resolution maps from the National Solar Observatory. Mt. Wilson magnetic field measurements from solar cycle 20 show a similar north-south asymmetry.

Antonucci, E.↗

NASA NTRS1995

Nonperiodic variations in astrophysical systems: Investigating frequency evolution

We present a method related to the wavelet transform, the Gabor transform, for investigating astronomical time series containing nonconsistent frequencies. Instances in which such data sets may arise include variable star light curves, numerical studies of the gravitational three-body problem, X-ray binaries, and signals from more exotic objects such as planets around pulsars and mass infall from accretion structures onto compact objects. As an illustration of its power, we apply the technique to a numerical data set of a gravitational three-body interaction and to photometry of the rapidly oscillating peculiar A star HD 60435. In the three-body example, the method provides an insightful shorthand that allows for the determination of episodes where the system behaves as two nearly Keplerian orbits. For HD 60435, the power in the main frequency exhibits unusual evolution over the duration of the observation.

Boyd, Patricia T.↗