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At least 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

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

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

36 MATERIALS SCIENCE↗
DOE OSTI2024

Convergent Concordant Mode Approach for Molecular Vibrations: CMA-2

The concordant mode approach (CMA) is a promising new scheme for dramatically increasing the system size and level of theory achievable in quantum chemical computations of molecular vibrational frequencies. Here, we achieve advances in the CMA hierarchy by computations targeting CCSD(T)/cc-pVTZ (coupled cluster singles and doubles with perturbative triples using a correlation-consistent polarized-valence triple-ζ basis set) benchmarks within the G2 molecular test set, executing a statistical analysis for 1501 frequencies from 111 compounds and then separately solving the refractory case of pyridine. First, MP2/cc-pVTZ (second-order Møller–Plesset perturbation theory with the same basis set) proves to be an excellent and preferred choice for generating the underlying (Level B) normal modes of the CMA scheme. Utilizing this Level B within the CMA-0A method reproduces the 1501 benchmark frequencies with a mean absolute error (MAE) of only 0.11 cm –1 and an attendant standard deviation of 0.49 cm –1 . Second, a convergent CMA-2 method is constituted that allows efficient computation of higher level (Level A) frequencies to any reasonable accuracy threshold by using only Hartree–Fock (HF) and MP2 or density functional theory (DFT) data to generate ξ parameters, which select the sparse off-diagonal force field elements for explicit evaluation at Level A. When Level B = MP2/cc-pVTZ, a cutoff of ξ = 0.02 provides an average maximum absolute error per molecule of only 0.17 cm –1 by incurring merely a 33% increase in average cost over CMA-0A. This CMA-2 method also eradicates the 4 problematic CMA-0A outliers of pyridine with even less effort (ξ = 0.04, 22% increase). Finally, the newly developed CMA procedures are shown to be highly successful when applied to 1-(1H-pyrrol-3-yl)ethanol, a new test molecule with diverse types of vibration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Atomically Dispersed Copper Sites in a Metal–Organic Framework for Reduction of Nitrogen Dioxide

Metal-organic framework (MOF) materials provide an excellent platform to fabricate single-atom catalysts due to their structural diversity, intrinsic porosity, and designable functionality. However, the unambiguous identification of atomically dispersed metal sites and the elucidation of their role in catalysis are challenging due to limited methods of characterization and lack of direct structural information. Here, we report a comprehensive investigation of the structure and the role of atomically dispersed copper sites in UiO-66 for the catalytic reduction of NO 2 at ambient temperature. The atomic dispersion of copper sites on UiO-66 is confirmed by high-angle annular dark-field scanning transmission electron microscopy, electron paramagnetic resonance spectroscopy, and inelastic neutron scattering, and their location is identified by neutron powder diffraction and solid-state nuclear magnetic resonance spectroscopy. The Cu/UiO-66 catalyst exhibits superior catalytic performance for the reduction of NO 2 at 25 °C without the use of reductants. A selectivity of 88% for the formation of N2 at a 97% conversion of NO 2 with a lifetime of >50 h and an unprecedented turnover frequency of 6.1 h-1 is achieved under nonthermal plasma activation. In situ and operando infrared, solid-state NMR, and EPR spectroscopy reveal the critical role of copper sites in the adsorption and activation of NO 2 molecules, with the formation of {Cu(I)···NO} and {Cu···NO 2 } adducts promoting the conversion of NO 2 to N 2 . This study will inspire the further design and study of new efficient single-atom catalysts for NO 2 abatement via detailed unravelling of their role in catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Spatially dispersive circular photogalvanic effect in a Weyl semimetal

Weyl semimetals (WSMs) are gapless topological states of matter with broken inversion and/or time reversal symmetry. WSMs can support a circulating photocurrent when illuminated by circularly polarized light at normal incidence. Here, we report a spatially dispersive circular photogalvanic effect (s-CPGE) in a WSM that occurs with a spatially varying beam profile. Our analysis shows that the s-CPGE is controlled by a symmetry selection rule combined with asymmetric carrier excitation and relaxation dynamics. By evaluating the s-CPGE for a minimal model of a WSM, a frequency-dependent scaling behaviour of the photocurrent is obtained. Wavelength-dependent measurements from the visible to mid-infrared range show evidence of Berry curvature singularities and band inversion in the s-CPGE response. Here, we present the s-CPGE as a promising spectroscopic probe for topological band properties, with the potential for controlling photoresponse by patterning optical fields on topological materials to store, manipulate and transmit information.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Discovery of Cellulose Surface Layer Conformation by Nonlinear Vibrational Spectroscopy

Significant questions remain with respect to the structure and polymorphs of cellulose. These include the cellulose surface layers and the bulk crystalline core as well as the conformational differences. The Total Internal Reflection Sum Frequency Generation Vibrational Spectroscopy (TIR-SFG-VS) combined with the conventional SFG-VS (non-TIR) can help to resolve these questions by selectively characterizing the molecular structures of surface layers and the crystalline core of cellulose. From the SFG spectra in the C-H and O-H regions, we found that the surface layers of Avicel are essentially amorphous; while the surface layers of Iβ cellulose are crystalline but with different structural and spectroscopic signatures than that of its crystalline core. This work demonstrates the capacity of TIR and Non-TIR SFG-VS tools in selectively studying the structures and polymorphs of cellulose. In addition, these results also suggest that the assignments of major vibrational peaks for cellulose need to be further determined.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Quantum cluster equilibrium model of N-methylformamide–water binary mixtures

The established quantum cluster equilibrium (QCE) approach is refined and applied to N-methylformamide (NMF) and its aqueous solution. The QCE method is split into two iterative cycles: one which converges to the liquid phase solution of the QCE equations and another which yields the gas phase. By comparing Gibbs energies, the thermodynamically stable phase at a given temperature and pressure is then chosen. The new methodology avoids metastable solutions and allows a different treatment of the mean-field interactions within the gas and liquid phases. These changes are of crucial importance for the treatment of binary mixtures. For the first time in a QCE study, the cis-trans-isomerism of a species (NMF) is explicitly considered. Cluster geometries and frequencies are calculated using density functional theory (DFT) and complementary coupled cluster single point energies are used to benchmark the DFT results. Independent of the selected quantum-chemical method, a large set of clusters is required for an accurate thermodynamic description of the binary mixture. The liquid phase of neat NMF is found to be dominated by the cyclic trans-NMF pentamer, which can be interpreted as a linear trimer that is stabilized by explicit solvation of two further NMF molecules. This cluster reflects the known hydrogen bond network preferences of neat NMF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Complexity analysis of a CT injection experiment on BRB

In this work, we use Jensen–Shannon complexity and permutation entropy to analyze the magnetic field fluctuations of an astrophysically scaled plasma experiment. The experiment was intended to emulate an interplanetary coronal mass ejection event in the lab, recreating the major sections seen in satellite data. We also use a technique called “delay,” in which we use select elements, skipping one or more data points at a time, in our time series data to obtain Jensen–Shannon complexity as a function of frequency and investigate the frequency of maximized complexity. We then compare the delay frequencies to other frequencies in the plasma. We found that the frequencies for maximum complexity do not correspond to the frequencies investigated, implying that other physical mechanisms lead to an increase in complexity at these frequencies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Laser spectroscopy of sub-micrometre- and micrometre-thick caesium-vapour layers

We present high resolution laser spectroscopy of Cs vapours confined in a unique optical cell of sub-micrometric and micrometric thickness, where a strong spatial anisotropy is present for the time of interaction between the atoms and laser radiation. Similarly to the spectra of selective specular reflection, the Doppler-free spectra of absorption and fluorescence are observed, not revealing cross-over resonances that will be useful for frequency stabilisation, provided the cell is cheap and compact. A new resonance in the fluorescence of closed transition is studied, demonstrating its high sensitivity to elastic atom – atom and atom – dielectric surface collisions. The theoretical modelling performed is in agreement with the experimental observations. (laser spectroscopy)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Unveiling the spatial distribution of molecular coherences at conical intersections by covariance X-ray diffraction signals

Significance Monitoring the real-space motion of the electrons directly involved in ultrafast molecular dynamics is a challenging goal, hindered by the strong contributions of the remaining inactive electrons. Molecular quantum coherences can provide a direct window into elementary electronic dynamics, but they could not be separately imaged so far. Here, we demonstrate a time- and frequency-resolved X-ray diffraction technique, which can employ existing stochastic X-ray pulses to separately image the coherence contributions. The technique can selectively follow the relevant electrons involved in the ultrafast dynamics and identify the confined molecular regions covered by their motion. It enables readily feasible measurements and can be straightforwardly extended to full three-dimensional imaging via X-ray and electron diffraction.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

CAUGHT IN THE ACT: THE ASSEMBLY OF MASSIVE CLUSTER GALAXIES AT z = 1.62

We present the recent merger history of massive galaxies in a spectroscopically confirmed proto-cluster at z = 1.62. Using Hubble Space Telescope WFC3 near-infrared imaging from the Cosmic Assembly Near-infrared Deep Extragalactic Legacy Survey, we select cluster and z {approx} 1.6 field galaxies with M{sub star} {>=} 3 Multiplication-Sign 10{sup 10} M{sub Sun }, to determine the frequency of double nuclei or close companions within projected separations less than 20 kpc co-moving. We find that four out of five spectroscopically confirmed massive proto-cluster galaxies have double nuclei, and 57 {sup +13}{sub -14}% of all M{sub star} {>=} 3 Multiplication-Sign 10{sup 10} M{sub Sun} cluster candidates are observed in either close pair systems or have double nuclei. In contrast, only 11% {+-} 3% of the field galaxies are observed in close pair/double nuclei systems. After correcting for the contribution from random projections, the implied merger rate per massive galaxy in the proto-cluster is {approx}3-10 times higher than the merger rate of massive field galaxies at z {approx} 1.6. Close pairs in the cluster have minor merger stellar mass ratios (M{sub primary}: M{sub satellite} {>=} 4), while the field pairs consist of both major and minor mergers. At least half of the cluster mergers are gas-poor, as indicated by their red colors and low 24 {mu}m fluxes. Two of the double-nucleated cluster members have X-ray detected active galactic nuclei with L{sub x} > 10{sup 43} erg s{sup -1}, and are strong candidates for dual or offset super-massive black holes. We conclude that the massive z = 1.62 proto-cluster galaxies are undergoing accelerated assembly via minor mergers, and discuss the implications for galaxy evolution in proto-cluster environments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Testing the dark matter origin of the WMAP-Planck haze with radio observations of spiral galaxies

If the Galactic WMAP radio haze, as recently confirmed by Planck, is produced by dark matter annihilation or decay, similar diffuse radio halos should exist around other galaxies with physical properties comparable to the Milky Way. If instead the haze is due to an astrophysical mechanism peculiar to the Milky Way or to a transient event, a similar halo need not exist around all Milky Way ''twins''. We use radio observations of 66 spiral galaxies to test the dark matter origin of the haze. We select galaxies based on morphological type and maximal rotational velocity, and obtain their luminosities from a 1.49 GHz catalog and additional radio observations at other frequencies. We find many instances of galaxies with radio emission that is less than 5% as bright as naively expected from dark matter models that could produce the Milky Way haze, and at least 3 galaxies that are less than 1% as bright as expected, assuming dark matter distributions, magnetic fields, and cosmic ray propagation parameters equal to those of the Milky Way. For reasonable ranges for the variation of these parameters, we estimate the fraction of galaxies that should be expected to be significantly less bright in radio, and argue that this is marginally compatible with the observed distribution. While our findings therefore cannot rule out a dark matter origin for the radio haze at this time, we find numerous examples (including the Andromeda Galaxy) where, if dark matter is indeed the origin of the Milky Way haze, some mechanism must be in place to suppress the corresponding haze of the external galaxy. We point out that Planck data will offer opportunities to improve this type of constraint in a highly relevant frequency range and for a potentially larger set of candidate galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Security Evaluation of Two Intrusion Detection Systems in Smart Grid SCADA Environment

The increased complexity and interconnectivity of SCADA infrastructure in the power system have exposed it to the multitude of vulnerabilities. There is a growing emphasis towards developing an efficient intrusion detection system (IDS) to strengthen the security of the SCADA control system. This is a research-in-progress paper which presents the application of two anomaly-based intrusion detection systems (AIDS) in detecting the stealthy cyber-attack on the SCADA control system. We have applied the IDS tools Snort and Bro, in designing the IDS and later, compared their performances in terms of detection rate and latency in the alert packets with a motive of selecting better IDS for the SCADA security. Specifically, the timing-based rule is applied to identify the malicious packets based on the high temporal frequency in the network traffic. For the case study, we have implemented the SCADA based protection scheme which performs an autonomous protection to mitigate the system disturbances. We first implemented the stealthy cyber-attack which compromised the SCADA controller followed by data integrity attack on the system generator. Next, we perform the impact analysis during the attack followed by performance evaluation of IDS tools. Our experimental results show that the IDS tools are efficient in detecting cyber-attacks within an acceptable time frame for different sizes of network packets.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

WE-EF-BRA-12: Magnetic Resonance- Guided High-Intensity Focused Ultrasound for Localized Ablation of Head and Neck Tissue Structures: A Feasibility Study in An Animal Model

Purpose: High-intensity focused ultrasound (HIFU) ablation is feasible in the head and neck [1]. This study aims to expand upon these findings to assess the feasibility of treatment planning and monitoring via magnetic resonance imaging (MRI) guidance using a clinical MR-guided HIFU platform. Methods: Two 31 kg pigs were anaesthetized, shaved, and positioned prone on the HIFU table (Sonalleve, Philips Healthcare, Vantaa, Finland). The necks were acoustically coupled to the integrated transducer using gel pads and degassed water. MR imaging verified acoustic coupling and facilitated target selection in the thyroid and thymus. Targets were thermally ablated with 130–200 W of acoustic power over a period of 16 s at a frequency of 1.2 MHz while being monitored through real-time, multi-planar MR-thermometry. Contrast-enhanced MR imaging was used to assess treatment efficacy. Post-treatment, animals were euthanized and sonicated tissues were harvested for histology assessment. Results: MR-thermometry, post-contrast-imaging, and gross pathology demonstrated that the system was capable of causing localized thermal ablation in both the thyroid and the thymus without damaging the aerodigestive tract. In one animal, superficial bruising was observed in the ultrasound beam path. Otherwise, there were no adverse events. Analysis of the tissue histology found regions of damage consistent with acute thermal injury at the targeted locations. Conclusion: It is feasible to use a clinical MR-guided HIFU platform for extracorporeal ablation of porcine head and neck tissues. MR guidance and thermometry are sufficient to target and monitor treatment in the thyroid region, despite the presence of the inhomogeneous aerodigestive tract. Further study is necessary to assess efficacy and survival using a tumor model, and to examine what modifications should be made to the transducer positioning system and associated patient positioning aids to adapt it for clinical head and neck targets.Reference:[1] Esnault et al. (2011). Thyroid, 21(9), 965– 973. Funding support provided by Philips Healthcare. Ari Partanen is a paid employee of Philips Healthcare.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

The Red Supergiant Content of M31 and M33

We identify red supergiants (RSGs) in our spiral neighbors M31 and M33 using near-IR (NIR) photometry complete to a luminosity limit of logL/L{sub ⊙}=4.0. Our archival survey data cover 5 deg{sup 2} of M31, and 3 deg{sup 2} for M33, and are likely spatially complete for these massive stars. Gaia is used to remove foreground stars, after which the RSGs can be separated from asymptotic giant branch (AGB) stars in the color–magnitude diagram. The photometry is used to derive effective temperatures and bolometric luminosities via MARCS stellar atmosphere models. The resulting H-R diagrams show superb agreement with the evolutionary tracks of the Geneva evolutionary group. Our census includes 6400 RSGs in M31 and 2850 RSGs in M33 within their Holmberg radii; by contrast, only a few hundred RSGs are known so far in the Milky Way. Our catalog serves as the basis for a study of the RSG binary frequency being published separately, as well as future studies relating to the evolution of massive stars. Here we use the matches between the NIR-selected RSGs and their optical counterparts to show that the apparent similarity in the reddening of OB stars in M31 and M33 is the result of Malmquist bias; the average extinction in M31 is likely higher than that of M33. As expected, the distribution of RSGs follows that of the spiral arms, while the much older AGB population is more uniformly spread across each galaxy’s disk.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

The WISE-2MASS Survey: Red Quasars Into the Radio Quiet Regime

We present a highly complete sample of broad-line (Type 1) QSOs out to z ~ 3 selected by their mid-infrared colors, a method that is minimally affected by dust reddening. We remove host-galaxy emission from the spectra and fit for excess reddening in the residual QSOs, resulting in a Gaussian distribution of colors for unreddened (blue) QSOs, with a tail extending toward heavily reddened (red) QSOs, defined as having E(B – V) > 0.25. This radio-independent selection method enables us to compare red and blue QSO radio properties in both the FIRST (1.4 GHz) and VLASS (2–4 GHz) surveys. Consistent with recent results from optically selected QSOs from SDSS, we find that red QSOs have a significantly higher detection fraction and a higher fraction of compact radio morphologies at both frequencies. We employ radio stacking to investigate the median radio properties of the QSOs including those that are undetected in FIRST and VLASS, finding that red QSOs have significantly brighter radio emission and steeper radio spectral slopes compared with blue QSOs. Finally, we find that the incidence of red QSOs is strongly luminosity dependent, where red QSOs make up >40% of all QSOs at the highest luminosities. Overall, red QSOs comprise ~40% of higher luminosity QSOs, dropping to only a few percent at lower luminosities. Furthermore, red QSOs make up a larger percentage of the radio-detected QSO population. We argue that dusty AGN-driven winds are responsible for both the obscuration as well as excess radio emission seen in red QSOs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

MURCHISON WIDEFIELD ARRAY LIMITS ON RADIO EMISSION FROM ANTARES NEUTRINO EVENTS

We present a search, using the Murchison Widefield Array (MWA), for electromagnetic (EM) counterparts to two candidate high-energy neutrino events detected by the ANTARES neutrino telescope in 2013 November and 2014 March. These events were selected by ANTARES because they are consistent, within 0.°4, with the locations of galaxies within 20 Mpc of Earth. Using MWA archival data at frequencies between 118 and 182 MHz, taken ∼20 days prior to, at the same time as, and up to a year after the neutrino triggers, we look for transient or strongly variable radio sources that are consistent with the neutrino positions. No such counterparts are detected, and we set a 5σ upper limit for low-frequency radio emission of ∼10{sup 37} erg s{sup −1} for progenitors at 20 Mpc. If the neutrino sources are instead not in nearby galaxies, but originate in binary neutron star coalescences, our limits place the progenitors at z ≳ 0.2. While it is possible, due to the high background from atmospheric neutrinos, that neither event is astrophysical, the MWA observations are nevertheless among the first to follow up neutrino candidates in the radio, and illustrate the promise of wide-field instruments like MWA for detecting EM counterparts to such events.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Harmonic structure of Pc 3-4 pulsations

Power spectra of magnetic pulsations observed at synchronous orbit by the ATS 6 satellite often show several spectral peaks simultaneously. Such pulsations, called harmonic events because of the nearly constant separation between successive peaks, are continuously observed in the dayside in the Pc 3-4 frequency range (6.6-100 mHz). The harmonic events are seen clearly only in the east-west magnetic field component. The spectral peaks are regularly spaced with a typical minimum separation of 14 mHz in the morning gradually decreasing to 10 mHz in the afternoon. In the dynamic spectra of harmonic events, the fundamental mode is usually absent. In addition, the relative amplitudes of the higher harmonics depend on the magnetic latitude. These observed features can be explained by a standing Alfven wave consisting of many discrete harmonic frequencies. A statistical analysis of power spectra demonstrates that at least 10-30% of Pc 3 pulsations can be classified as harmonic events. For a selected event on August 7, 1975, the plasma mass density at the synchronous orbit is estimated to be 3-8 hydrogen mass/cu cm.

Takahashi, K.↗
NASA NTRS1984

Analysis and testing of a new method for drop size and velocity measurements using laser light scatter interferometry

Drop size and velocity can be measured simultaneously using an optical system which is the same as a laser Doppler velocimeter except that three detectors are located at selected spacings behind the receiver aperture. Drops passing through the intersection of the two beams scatter light which produces an interferrence fringe pattern. The temporal frequency of the fringe pattern is the Doppler difference frequency which is linearly proportional to the drop velocity while the spatial frequency is linearly related to the drop diameter. The spacing of the fringes is also dependent upon the light wavelength, beam intersection angle, drop refractive index (unless reflected light is measured), and the location of the receiver. The theoretical analysis was verified, signal phase processing methods were evaluated, and the effects of signal quality upon the measurements were investigated.

Bachalo, W. D.↗