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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Impact of solvation on the electronic resonances in uracil

Interactions of low-energy electrons with the DNA and RNA nucleobases are known to form metastable states, known as electronic resonances. In this work, we study electron attachment to solvated uracil, an RNA nucleobase, using the orbital stabilization method at the Equation of Motion-Coupled Cluster for Electron Affinities with Singles and Doubles (EOM-EA-CCSD) level of theory with the Effective Fragment Potential (EFP) solvation method. We benchmarked the approach using multireference methods, as well as by comparing EFP and full quantum calculations. The impact of solvation on the first one particle (1p) shape resonance, formed by electron attachment to the π* LUMO orbital, as well as the first two particle one hole (2p1h) resonance, formed by electron attachment to neutral uracil's π–π* excited state, was investigated. We used molecular dynamics simulations for solvent configurations and applied charge stabilization technique-based biased sampling to procure configurations adequate to cover the entire range of the electron attachment energy distribution. The electron attachment energy in solution is found to be distributed over a wide range of energies, between 4.6 eV to 6.8 eV for the 2p1h resonance, and between −0.1 eV to 2 eV for the 1p resonance. The solvent effects were similar for the two resonances, indicating that the exact electron density of the state is not as important as the solvent configurations. Multireference calculations extended the findings showing that solvation effects are similar for the lowest four resonances, further indicating that the specific solute electron density is not as important, but rather the water configurations play the most important role in solvation effects. Lastly, by comparing bulk solvation to clusters of uracil with a few water molecules around it, we find that the impact of microsolvation is very different from that of bulk solvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Emergence of pseudoresonance in high-intensity resonant inelastic x-ray scattering

We report resonant inelastic x-ray scattering (RIXS) spectra of neon atoms interacting with intense x-ray pulses generated using an x-ray free-electron laser (XFEL). We find that an unexpected peak emerges near the 𝐾⁢𝛼 line of Ne, which does not coincide with any physical resonances of neon ions. We perform theoretical calculations based on a quantum-state-resolved rate-equation approach with x-ray-induced processes including possible resonant excitations. Our dynamics simulations demonstrate that a sequence of multiple resonant photoabsorption events are involved and the interplay of those multiple resonances in combination with the relatively large spectral bandwidth of XFEL radiation leads to the emergent resonance-like structure at a position where no resonances exist. Our finding offers critical guidance for future applications of high-intensity RIXS at XFEL facilities.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

3 He +𝛼 resonances in 7 Be

Resonances in 7 Be which decay into the 3 He+α exit channel have been measured with improved precision using preexisting data sets. The energy and width of the J π =7/2 - state have been extracted from an invariant-mass study of projectile-breakup products originating from interactions of an E/A=10.7-MeV 10 C beam on Be and C targets. The excitation energy of this state (from the pole of the S-matrix) is determined to be E*=4.545(6)~MeV, a factor of 8 improvement in precision as compared to the ENSDF value. This improvement is enabled by fine tuning the detector calibrations using calibration resonances in 6 Li, 7 Li, 6 Be, 9 B, and 12 C whose decay energies are known to high precision. The J π =7/2- resonance in 7 Be can now itself be used as a calibration resonance in invariant-mass experiments. This utility is particularly helpful for 3 He energy calibrations of CsI(Tl) detectors which are often used in detector arrays employed for measurements with fast beams. This utility is demonstrated with a data set associated with E/A=70 MeV 7 Be beams which are inelastically excited to the 7/2 - and 5/2 - 1 resonances. Again using the pole of the S-matrix as the definition of the resonance parameters, the fitted excitation energy of the 5/2 - 1 resonance is 6.376(17) MeV, approximately 300 keV lower than the ENSDF value. Finally, its width of 565(4) keV is roughly half of the ENSDF value.

energy levels↗
NASA NTRS1992

Imaging of the hip joint. Computed tomography versus magnetic resonance imaging

The authors reviewed the applications and limitations of computed tomography (CT) and magnetic resonance (MR) imaging in the assessment of the most common hip disorders. Magnetic resonance imaging is the most sensitive technique in detecting osteonecrosis of the femoral head. Magnetic resonance reflects the histologic changes associated with osteonecrosis very well, which may ultimately help to improve staging. Computed tomography can more accurately identify subchondral fractures than MR imaging and thus remains important for staging. In congenital dysplasia of the hip, the position of the nonossified femoral head in children less than six months of age can only be inferred by indirect signs on CT. Magnetic resonance imaging demonstrates the cartilaginous femoral head directly without ionizing radiation. Computed tomography remains the imaging modality of choice for evaluating fractures of the hip joint. In some patients, MR imaging demonstrates the fracture even when it is not apparent on radiography. In neoplasm, CT provides better assessment of calcification, ossification, and periosteal reaction than MR imaging. Magnetic resonance imaging, however, represents the most accurate imaging modality for evaluating intramedullary and soft-tissue extent of the tumor and identifying involvement of neurovascular bundles. Magnetic resonance imaging can also be used to monitor response to chemotherapy. In osteoarthrosis and rheumatoid arthritis of the hip, both CT and MR provide more detailed assessment of the severity of disease than conventional radiography because of their tomographic nature. Magnetic resonance imaging is unique in evaluating cartilage degeneration and loss, and in demonstrating soft-tissue alterations such as inflammatory synovial proliferation.

Review↗
DOE OSTI2024

Vibrational Fermi Resonance in Atomically Thin Black Phosphorus

Fermi resonance is a phenomenon involving the hybridization of two coincidentally quasi-degenerate states that is observed in the vibrational or electronic spectra of molecules. Despite numerous examples in molecular systems, vibrational Fermi resonances in dispersive semiconducting systems remain largely unexplored due to the rarity of occurrence. Here we report a vibrational Fermi resonance in atomically thin black phosphorus. The Fermi resonance arises via anharmonic mixing of a fundamental Raman mode and a Davydov component of an infrared mode, leading to a doublet with mixed character. The extent of Fermi coupling can be modulated by the application of external biaxial strain. The consequences of Fermi hybridization are revealed by electronic resonance effects in the thickness-dependent and excitation-wavelength-dependent Raman spectrum, which is predicted by ab initio hybrid functional simulations including excitonic interactions. This work reveals new insight into electron–phonon coupling in black phosphorus and demonstrates a novel method for modulating Fermi resonances in 2D semiconductors.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

High-dimensional control co-design of a wave energy converter with a novel pitch resonator power takeoff system

Researchers are exploring adding wave energy converters to existing oceanographic buoys to provide a predictable source of renewable power. A ”pitch resonator” power take-off system has been developed that generates power using a geared flywheel system designed to match resonance with the pitching motion of the buoy. However, the novelty of the concept leaves researchers uncertain about various design aspects of the system. This work presents a novel design study of a pitch resonator to inform design decisions for an upcoming deployment of the system. The assessment uses control co-design via WecOptTool to optimize control trajectories for maximal electrical power production while varying five design parameters of the pitch resonator. Given the large search space of the problem, the control trajectories are optimized within a Monte Carlo analysis to identify optimal designs, followed by parameter sweeps around the optimum to identify trends between the design parameters. The gear ratio between the pitch resonator spring and flywheel are found to be the most sensitive design variables to power performance. Finally, the assessment also finds similar power generation for various sizes of resonator components, suggesting that correctly designing for optimal control trajectories at resonance is more critical to the design than component sizing.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Resolved Resonance Evaluation for Neutron Interactions with 103 Rh up to 8 keV

A neutron cross-section evaluation for the n + 103 Rh reaction in the resolved resonance region was carried out in the energy range 10−5 eV to 8 keV encompassing thermal energy at 0.0253 eV. The scope of this work is to generate resonance parameters and resonance parameter covariances based on the Reich-Moore reduced R-matrix formalism using the code SAMMY. Some features of the new evaluation are the inclusion of high-resolution capture data in the SAMMY evaluation process and the extension of the resolved resonance range from 4 to 8 keV. Furthermore, the evaluation employs more accurate resonance parameter representation by exploring the use of the LRF = 7 ENDF feature and also the use of the LCOMP = 2 compact format for resonance parameter covariance representation. Included in the SAMMY evaluation are transmission data, capture cross-section data, and neutron scattering length information. Thermal cross-section values listed in the literature, as well as capture resonance integrals, were also incorporated into the evaluation process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Energy Shifts and Broadening of Excitonic Resonances in Electrostatically Doped Semiconductors

Tuning the density of resident electrons or holes in semiconductors through electrostatic doping provides crucial insight into the composition of the many excitonic complexes that are routinely observed as absorption or photoluminescence resonances in optical studies. Moreover, we can change the way these resonances shift and broaden in energy by controlling the quantum numbers (e.g., spin and valley) of the resident carriers with applied magnetic fields and doping levels, as well as by selecting the quantum numbers of the photoexcited or recombining electron-hole (𝑒−ℎ) pair through optical polarization. Here, we discuss the roles of distinguishability and optimality of excitonic complexes, showing them to be key ingredients that determine the energy shifts and broadening of optical resonances in charge-tunable semiconductors. A distinguishable 𝑒−ℎ pair means that the electron and hole undergoing photoexcitation or recombination have quantum numbers that are not shared by any of the resident carriers. An optimal excitonic complex refers to a complex whose particles come with all available quantum numbers of the resident carriers. Based on the carrier density, magnetic field, and light polarization, all optical resonances may be classified as either distinct or indistinct depending on the distinguishability of the 𝑒−ℎ pair, and the underlying excitonic complex can be classified as either optimal or suboptimal. The universality of these classifications, inherited from the fundamental Pauli exclusion principle, allows us to understand how optical resonances shift in energy and whether they should broaden as doping is increased. This understanding is supported by conclusive evidence that the broadening and decay of optical resonances cannot be simply attributed to enhanced screening when resident carriers are added to a semiconductor. Finally, applying the classification scheme in either monolayer or moiré heterobilayer semiconductor systems, we relate the energy shift and amplitude of the neutral-exciton resonance to the compressibility of the resident carrier gas.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Native Two-Qubit Gates in Fixed-Coupling, Fixed-Frequency Transmons Beyond Cross-Resonance Interaction

Fixed-frequency superconducting qubits demonstrate remarkable success as platforms for stable and scalable quantum computing. Cross-resonance gates have been the workhorse of fixed-coupling, fixed-frequency superconducting processors, leveraging the entanglement generated by driving one qubit resonantly with a neighbor’s frequency to achieve high-fidelity, universal controlled- () gates. Here, we use on-resonant and off-resonant microwave drives to go beyond cross-resonance, realizing natively interesting two-qubit gates that are not equivalent to gates. In particular, we implement and benchmark native i , , i SWAP , and b gates; in fact, any SU ( 4 ) unitary can be achieved using these techniques. Furthermore, we apply these techniques for an efficient construction of the B gate: a perfect entangler from which any two-qubit gate can be reached in only two applications. We show that these native two-qubit gates are better than their counterparts compiled from cross-resonance gates. We elucidate the resonance conditions required to drive each two-qubit gate and provide a novel frame tracking technique to implement them in Qiskit. Published by the American Physical Society 2024

Physics↗
DOE OSTI2026

Modeling frequency instability in high-quality resonant experiments

Modern resonant sensing tools can achieve increasingly high quality factors, which correspond to extremely narrow linewidths. In such systems, time variation of the resonator’s natural frequency can potentially impact its ability to accumulate power and its resulting sensitivity. One such example is the Dark SRF experiment, which utilizes superconducting radio frequency (SRF) cavities with quality factors of Q ∼ 10 10 . Microscopic deformations of the cavity lead to stochastic jittering of its resonant frequency with amplitude 20 times its linewidth. Naively, one may expect this to lead to a large suppression in accumulated power. In this work, we study in detail the effects of frequency instability on high-quality resonant systems, utilizing the Dark SRF experiment as a case study. We show that the timescale of jittering is crucial to determining its effect on power accumulation. Namely, when the resonant frequency varies sufficiently quickly, the system accumulates power as if there were no jittering at all. This implies that the sensitivity of a jittering resonator is comparable to that of a stable resonator. In the case of Dark SRF, we find that jittering only induces a ∼ 10 % loss in power. Our results allow the dark-photon exclusion bound from Dark SRF’s pathfinder run to be refined, leading to a constraint that is an order of magnitude stronger than previously reported (corresponding to a signal-to-noise ratio that is four orders of magnitude larger). This result represents the world-leading constraint on dark photons over a wide range of masses below 6 μ eV and translates to the best laboratory-based limits on the photon mass m γ < 2.9 × 10 - 48 g .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1974

Ion effects on ionospheric electron resonance phenomena

Ion effects are often observed on topside-sounder stimulated electron plasma wave phenomena. A commonly observed effect is a spur, appearing after a time delay corresponding to the proton gyro period, attached to the low frequency side of an electron plasma resonance. The spurs are often observed on the resonances at the electron plasma frequency f sub N, the harmonics nf sub H of the electron cyclotron frequency f sub H (n = 2, 3, 4, ...), and occasionally on the upper hybrid frequency. The spurs on the f sub N resonance are usually quite small unless the f sub N resonance overlaps with an nf sub H resonance; very large spurs are observed during such overlap conditions. Proton spurs are only observed on the nf sub H resonances when the electron plasma waves associated with these resonances are susceptible to the Harris instability and when the electromagnetic z wave can be initiated by the sounderpulse. This instability is the result of a sounder stimulated anisotropic electron velocity distribution. The observations suggest that energy is fed into the nf sub H longitudinal plasma wave from the z wave via wave-mode coupling. The magnitude of the nf sub H spurs for large n is much greater than for small n.

Benson, R. F.↗
NASA NTRS1975

Excitation of a Helmholtz resonator by a turbulent boundary layer

A turbulent boundary layer on the fuselage of a glider was used to excite a Helmholtz resonator. The resonator orifice was flush with the surface and smaller than the boundary layer thickness. Resonator frequencies were chosen so they would tune with different portions of the boundary layer wall pressure spectrum. The resonators were excited at both the Helmholtz frequency and a standing wave frequency. The results show a shift in the Helmholtz frequency when the boundary layer is present. This shift indicates the degree to which the turbulence interacts with the acoustic motion in the orifice and modifies the end correction. Four of the nine resonators tested were 'strongly' excited and radiated considerable acoustic sound. This phenomenon occurs when turbulent eddies about the size of the orifice are convected past the orifice with the proper velocity to impose a frequency that matches a resonant frequency of the resonator. Turbulent eddies which are either smaller or larger than the orifice will not produce strong excitation.

Panton, R. L.↗
NASA NTRS1979

The excitation of density waves at the Lindblad and corotation resonances by an external potential

The linear response of a differentially rotating two-dimensional gas disk, both with and without self-gravity, to a rigidly rotating external potential is calculated on the assumptions that the speed of sound is much smaller that the orbital velocity and that the external potential varies on the scale of the disk radius. The results show that: (1) the external potential exerts torques on the disk only at the Lindblad and corotation resonances; (2) the torque is positive at the outer Lindblad resonance and negative at the inner Lindblad resonance; (3) the torque at corotation has the sign of the radial vorticity gradient; and (4) the torques are of the same order of magnitude at both types of resonance and independent of the speed of sound in the disk. It is found that the external potential also excites density waves in the vicinity of the Lindblad and corotation resonances, that the long trailing wave is excited at a Lindblad resonance, and that short trailing waves are excited at the corotation resonance. The behavior of particle disks is briefly discussed, and the external torques on particle disks are proven to be identical to those on gas disks

Goldreich, P.↗
NASA NTRS1986

Resonance ionization mass spectrometry for isotopic abundance measurements

Resonance ionization mass spectrometry (RIMS) is a relatively new laser-based technique for the determination of isotopic abundances. The resonance ionization process depends upon the stepwise absorption of photons from the laser, promoting atoms of the element of interest through progressively higher electronic states until an ion is formed. Sensitivity arises from the efficiency of the resonant absorption process when coupled with the power available from commercial laser sources. Selectivity derives naturally from the distinct electronic structure of different elements. This isobaric discrimination has provided the major impetus for development of the technique. Resonance ionization mass spectrometry was used for analysis of the isotopic abundances of the rare earth lutetium. Isobaric interferences from ytterbium severely effect the ability to measure small amounts of the neutron-deficient Lu isotopes by conventional mass spectrometric techniques. Resonance ionization for lutetium is performed using a continuous-wave laser operating at 452 nm, through a sequential two-photon process, with one photon exciting the intermediate resonance and the second photon causing ionization. Ion yields for microgram-sized quantities of lutetium lie between 10(6) and 10(7) ions per second, at overall ionization efficiencies approaching 10(-4). Discrimination factors against ytterbium greater than 10(6) have been measured. Resonance ionization for technetium is also being explored, again in response to an isobaric interference, molybdenum. Because of the relatively high ionization potential for Tc, three-photon, two-color RIMS processes are being developed.

Miller, C. M.↗
NASA NTRS1990

Search for resonances in positron-atom systems

No one likes to see a scattering cross section curve that is too smooth; it is much more interesting to find bumps and wiggles and most interesting if it is possible to understand their cause. Several types of resonances were clearly established in positron-containing systems: those lying just below a degenerate threshold (like 2s-2p in hydrogenic atoms or ions) and those representing Coulomb bound states in a rearranged channel (like Ps + H reversing positron +H(-)). Recently, two new sorts of resonances have been reported for which the resonant mechanism is not clear. The first is a very low lying resonance in the e-Ps system (obtained by an adiabatic expansion method), and the second is a similarly low lying two channel resonance in the positron -H system (obtained by a close-coupling technique.) These developments encouraged the examination of such systems using the standard methods of stabilization and complex rotation. Most of the results are negative; the low lying resonances in either system are verified. Some indication of new resonances in the e(+)-He(+) system is found; this may be caused by the attraction between Ps in the n=2 state and the He(++) nucleus.

Bhatia, A. K.↗
NASA NTRS1993

Air and ground resonance of helicopters with elastically tailored composite rotor blades

The aeromechanical stability, including air resonance in hover, air resonance in forward flight, and ground resonance, of a helicopter with elastically tailored composite rotor blades is investigated. Five soft-inplane hingeless rotor configurations, featuring elastic pitch-lag, pitch-flap and extension-torsion couplings, are analyzed. Elastic couplings introduced through tailored composite blade spars can have a powerful effect on both air and ground resonance behavior. Elastic pitch-flap couplings (positive and negative) strongly affect body, rotor and dynamic inflow modes. Air resonance stability is diminished by elastic pitch-flap couplings in hover and forwrad flight. Negative pitch-lag elastic coupling has a stabilizing effect on the regressive lag mode in hover and forward flight. The negative pitch-lag coupling has a detrimental effect on ground resonance stability. Extension-torsion elastic coupling (blade pitch decreases due to tension) decreases regressive lag mode stability in both airborne and ground contact conditions. Increasing thrust levels has a beneficial influence on ground resonance stability for rotors with pitch-flap and extension-torsion coupling and is only marginally effective in improving stability of rotors with pitch-lag coupling.

Smith, Edward C.↗
NASA NTRS1993

Sounder stimulated D(sub n) resonances in Jupiter's Io plasma torus

On February 8, 1992, the Ulysses spacecraft passed through Jupiter's Io plasma torus, where rich spectra of narrow-band resonances were stimulated by the relaxation sounder of the Ulysses unified radio and plasma wave (URAP) instrument. Since the gyrofrequency f(sub g) is comparable to the plasma frequency f(sub p) in the Io torus, it was predicted that the general classification of stimulated ionospheric D(sub n) resonances, developed for 1 is less than or equal to f(sub p)/f(sub g) is less than or equal to 8 in the Earth's topside ionosphere, should apply in the Io torus as well as the Earth's magnetosphere (Osherovich, 1989). The URAP plasmagrams (sounder spectra) in the portions of the Io torus satisfying these plasma conditions are dominated by the D(sub n) resonances for frequencies below f(sub p). On most of these plasmagrams the f(sub p) resonance is also present, but it is seldom the dominant resonance. Neither upper hybrid nor nf(sub g) resonances have been found on these plasmagrams. The identification of D(sub n) resonances has allowed both the electron density and the magnetic field amplitude to be calculated. The derived densities on the outbound pass agree well with a Voyager model of Bagenal (1992). The derived magnetic field values are close to the Goddard Space Flight Center O(sub 6) magnetic field model.

Osherovich, V. A.↗
NASA NTRS1999

Understanding the Potential of Aeroelastic Couplings to Stabilize Ground and Air Resonance in a Soft-Inplane Tiltrotor

The tiltrotor offers the best mix of hovering and cruise flight of any of the current V/STOL configurations. One possible improvement on the tiltrotors of today designs would be using a soft-inplane hingeless hub. The advantages to a soft-inplane hingeless hub range from reduced weight and maintenance to reduced vibration and loads. However, soft-inplane rotor systems are inherently in danger of the aeromechanical instabilities of ground and air resonance. Furthermore tiltrotors can be subject to whirl flutter. At least in part because of the potential for air and ground resonance in a soft-inplane rotor, the Bell XV-15, the Bell-Boeing V-22 Osprey, and the new Bell Augusta 609 have stiff-inplane, gimballed rotors which do not experience these instabilities. In order to design soft-inplane V/STOL aircraft that do not experience ground or air resonance, it is important to be able to predict these instabilities accurately. Much of the research studying the stability of tiltrotors has been focused on the understanding and prediction of whirl flutter. As this instability is increasingly well understood, air and ground resonance for a tiltrotor need to be investigated. Once we understand the problems of air and ground resonance in a tiltrotor, we must look for solutions to these instabilities. Other researchers have found composite or kinematic couplings in the blades of a helicopter helpful for ground and air resonance stability. Tiltrotor research has shown composite couplings in the wing to be helpful for whirl flutter. Therefore, this project will undertake to model ground and air resonance of a soft-inplane hingeless tiltrotor to understand the mechanisms involved and to evaluate whether aeroelastic couplings in the wing or kinematic couplings in the blades would aid in stabilizing these instabilities in a tiltrotor.

Howard, Anna K. T.↗