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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Circuit quantum electrodynamics detection of induced two-fold anisotropic pairing in a hybrid superconductor–ferromagnet bilayer

Abstract Hybrid systems represent one of the frontiers in the study of unconventional superconductivity and are a promising platform to realize topological superconducting states. These materials are challenging to probe using many conventional measurement techniques because of their mesoscopic dimensions, and therefore require new experimental probes so that they can be successfully characterized. Here, we demonstrate a probe that enables us to measure the superfluid density of micrometre-size superconductors using microwave techniques drawn from circuit quantum electrodynamics. We apply this technique to a superconductor–ferromagnet bilayer and find that the proximity-induced superfluid density is two-fold anisotropic within the plane of the sample. It also exhibits power-law temperature scaling that is indicative of a nodal superconducting state. These experimental results are consistent with the theoretically predicted signatures of induced triplet pairing with a nodal p -wave order parameter. Moreover, we observe modifications to the microwave response at frequencies near the ferromagnetic resonance, suggesting a coupling between the spin dynamics and induced superconducting order in the ferromagnetic layer. Our experimental technique can be employed more widely, for example to study fragile unconventional superconductivity in low-dimensional materials such as van der Waals heterostructures.

Bøttcher, C. G. L. (ORCID:0000000194898461)↗
NASA NTRS1985

Study of the formation, evolution, and decay of shocks in the heliosphere between 0.5 and 30.0 AU

The spatial and temporal evolution of corotating interaction regions is examined between 0.5 and 30 AU using a solar-wind simulation with a continuous sinusoidally varying velocity, density, and temperature input pulse train. The well-known formation of forward-reverse MHD shock ensembles is followed by their interaction, which results in a highly nonlinear 'pressure' wave that eventually reforms into a new but more irregular set of forward-reverse shock pairs. As a result of these compound interactions, the overall temperature decays much more slowly than the classical steady-state adiabatic radial dependency of R BXP -4/3.

Smith, Z. K.↗
NASA NTRS2007

Dynamic Theory of Relativistic Electrons Stochastic Heating by Whistler Mode Waves with Application to the Earth Magnetosphere

In the Hamiltonian approach an electron motion in a coherent packet of the whistler mode waves propagating along the direction of an ambient magnetic field is studied. The physical processes by which these particles are accelerated to high energy are established. Equations governing a particle motion were transformed in to a closed pair of nonlinear difference equations. The solutions of these equations have shown there exists the energetic threshold below that the electron motion is regular, and when the initial energy is above the threshold an electron moves stochastically. Particle energy spectra and pitch angle electron scattering are described by the Fokker-Planck-Kolmogorov equations. Calculating the stochastic diffusion of electrons due to a spectrum of whistler modes is presented. The parametric dependence of the diffusion coefficients on the plasma particle density, magnitude of wave field, and the strength of magnetic field is studies. It is shown that significant pitch angle diffusion occurs for the Earth radiation belt electrons with energies from a few keV up to a few MeV.

Khazanov, G. V.↗
DOE OSTI2025

Diffuse scattering from correlated electron systems

The role of inhomegeneity in determining the properties of correlated electron systems is poorly understood because of the dearth of structural probes of disorder at the nanoscale. Advances in both neutron and x-ray scattering instrumentation now allow comprehensive measurements of diffuse scattering in single crystals over large volumes of reciprocal space, enabling structural correlations to be characterized over a range of length scales from 5 to 200 angstroms or more. When combined with new analysis tools, such as three-dimensional difference pair-distribution functions, these advanced capabilities have produced fresh insights into the interplay of structural fluctuations and electronic properties in a broad range of correlated electron materials. This review describes recent investigations that have demonstrated the importance of understanding structural inhomogeneity pertaining to phenomena as diverse as superconductivity, charge density wave modulations, metal-insulator transitions, and multipolar interactions.

36 MATERIALS SCIENCE↗
NASA NTRS2005

STEREO WAVES Capabilities for Studying Initiation and Early-time Dynamics of Solar Eruptions

In 2006, NASA will launch the twin STEREO spacecraft from Kennedy Space Center into a pair of heliocentric orbits near 1 AU such that the spacecraft will move away from Earth (ahead and behind) at about 22 degrees per year. The purposes of the STEREO Mission are to understand the causes and mechanisms of coronal mass ejection (CME) initiation and to follow the propagation of CMEs through the heliosphere. Additionally, STEREO will study the mechanisms and sites of solar energetic particle (SEP) acceleration and determine 3-D time-dependent traces of the magnetic topology, temperature, density and velocity of the solar wind between the sun and Earth. To accomplish these goals, each STEREO spacecraft will be equipped with set of optical and particles and fields instruments including the STEREO WAVES (SWAVES) instrument which will use radio waves to track the location of CME-driven shocks (via type I1 bursts) and the 3-D topology of open field lines along which energetic particles flow (via the ubiquitous type I11 bursts). Type 11 bursts very often commence with a series of special type 111 bursts (called SA or type 111-L bursts) that likely coincide with CME liftoff time, thus SWAVES should be able to determine this time to within 15 sec. It is also known that the occurrence of SEP events is usually accompanied by type I1 radio bursts at decametric wavelengths as well as strong type III bursts at all wavelengths. SWAVES will be able to determine the initiation of these bursts to within 15 sec, and from the simultaneous measurements from the two spacecraft, should be able to triangulate their source locations. The utility of radio observations and the capabilities of SWAVES will be illustrated by showing a number of examples using the similar Wind WAVES instrument in combination with SOH0 coronagraph and RHESSI high energy X-ray/gamma ray observations.

Kaiser, M. L.↗
NASA NTRS1994

Participation in the scientific activities of the Waves in Space Plasma (WISP) project

This is the Final Report for Contract NAG5-1925, that consisted of experiment design, for possible use by the space science mission called WISP (Waves in Space Plasma). This mission is under study by the Canadian Space Agency and by NASA. Two WISP configurations are contemplated, under the name of BICEPS: one is called BOLAS, and the other WISPRS. Both these configurations are meant to perform bistatic sounding of the ionosphere, at a height close to F(sub 2) H(sub max) (about 350 Km), with a pair of satellites, either tethered or in free flight. Investigation A (with Y.L. Alpert as P.I.) addresses the subject of parametric decay effects, expected to arise in a magnetoplasma under the influence of high-intensity HF fields. Criteria were formulated that could be used in searching for parametric instabilities and of electric fields in the ionosphere and magnetosphere, by in-situ satellites, such as the BICEPS Pair. Investigation B (with M.D.Grossi as P.I.) addressed the bistatic measurement, by the BICEPS pair,of ionospheric features, such as large-scale and small-scale disturbances, travelling ionospheric disturbances, electron density irregularities, spread-F phenomena, etc. These measurements by BICEPS could be correlated with the waveform distortion and degradation experienced by microwave links from geosynchronous height to ground, such as the ACTS satellite, expected to radiate pulses as short as 1 nanosecond in the band 20 to 30 GHz. These links are transionospheric and propagate e.m. waves in the volume of the ionosphere where BICEPS operates. It will be possible, therefore, to correlate the two classes of measurements, and learn the causative mechanisms that are responsible for the time-spread and frequency-spread nature of communications waveforms at microwave, in geosynchronous height to ground paths.

Alpert, Yakov L.↗
DOE OSTI2024

Sublattice modulated superconductivity in the kagome Hubbard model

Here we identify a superconducting order featuring spatial pair modulations on the kagome lattice subject to onsite Hubbard U and nearest neighbor V interactions. Within our functional renormalization group analysis, this state appears with a concomitant d-wave superconducting (SC) instability at zero lattice momentum, where it distinguishes itself through intra-unit cell modulations of the pairing function thus breaking the discrete space group symmetry. The relative weight of the sublattice modulated superconductor (SMS) and d-wave SC is influenced by the absolute interaction strength and coupling ratio V/U. Parametrically adjacent to this domain at weak coupling, we find an intra-unit cell modulated vestigial charge density wave and an s-wave SC instability. Our study provides a microscopic setting and thorough description of this novel SMS arising within a translation symmetry broken background.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2021

Search for Lensing Signatures in the Gravitational-Wave Observations from the First Half of LIGO–Virgo's Third Observing Run

We search for signatures of gravitational lensing in the gravitational-wave signals from compact binary coalescences detected by Advanced Laser Interferometer Gravitational-wave Observatory (LIGO) and Advanced Virgo during O3a, the first half of their third observing run. We study: (1) the expected rate of lensing at current detector sensitivity and the implications of a non-observation of strong lensing or a stochastic gravitational-wave background on the merger-rate density at high redshift; (2) how the interpretation of individual high-mass events would change if they were found to be lensed; (3) the possibility of multiple images due to strong lensing by galaxies or galaxy clusters; and (4) possible wave-optics effects due to point-mass microlenses. Several pairs of signals in the multiple-image analysis show similar parameters and, in this sense, are nominally consistent with the strong lensing hypothesis. However, taking into account population priors, selection effects, and the prior odds against lensing, these events do not provide sufficient evidence for lensing. Overall, we find no compelling evidence for lensing in the observed gravitational-wave signals from any of these analyses.

R. Abbott↗
DOE OSTI2026

Multireference Methods for Chemistry and Materials Science: Automated Active Spaces, Efficient Dynamic Correlation, and Extended Systems

While multiconfigurational approaches have long been relegated to expert practitioners working on a case-by-case basis, recent developments have increasingly made these methods more routine and applicable to broader sets of systems. This article outlines the state-of-the-art in multiconfigurational approaches, with an emphasis on moving from delicate hand-selected pathways through configuration space toward more robust and efficient approaches to treating a host of challenging chemical systems accurately. First, we overview recent work in automated active-space selection, which has enabled increasingly large-scale applications of multireference methods to modeling vertical excitations and reactivity. Second, we highlight the increasingly efficient methods for recovering correlation energy beyond the active space, as headlined by extensions of pair-density functional theory and its role in accurate and efficient treatment of excited-state dynamics and its utilization to train machine-learned potentials. Finally, we highlight recent efforts to treat extended systems that until recently have lied beyond the traditional limits of active-space methods, giving center stage to product-form wave functions of the localized active space family of methods that allow for the computation of multiconfigurational band structures. These recent advancements point to a broader use of multireference approaches for high-impact chemical and materials science applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Coupling Between Electrons and Charge Density Wave Fluctuation and its Possible Role in Superconductivity

In most charge density wave (CDW) systems of different material classes, ranging from traditional correlated systems in low-dimension to recent topological systems with Kagome lattice, superconductivity emerges when the system is driven toward the quantum critical point (QCP) of CDW via external parameters of doping and pressure. Despite this rather universal trend, the essential hinge between CDW and superconductivity has not been established yet. Here, the evidence of coupling between electron and CDW fluctuation is reported, based on a temperature- and intercalation-dependent kink in the angle-resolved photoemission spectra of 2H-Pd x TaSe 2 . Kinks are observed only when the system is in the CDW phase, regardless of whether a long- or short-range order is established. Notably, the coupling strength is enhanced upon long-range CDW suppression, albeit the coupling energy scale is reduced. Interestingly, the estimation of the superconducting critical temperature by incorporating the observed coupling characteristics into McMillan's equation yields results closely resembling the known values of the superconducting dome. The results thus highlight a compelling possibility that this new coupling mediates Cooper pairs, which provides new insights into the competing relationship not only for CDW but also for other competing orders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

From Oxo to Oxyl to Biradical: Systematic Multireference Calculations of Methane Activation at MOF Nodes

Methane C–H activation at transition-metal sites often involves electronic structures that challenge conventional single-reference electronic structure descriptions. Although Kohn–Sham density functional theory (DFT) is widely used to study catalytic trends, its reliability for reactions involving strongly correlated species remains uncertain. Here we present a systematic multireference investigation of methane activation at metal–organic framework (MOF) node catalysts across the 3d transition-metal series. We introduce an automated workflow for active space selection to enable consistent application of multireference methods, including multiconfiguration pair-density functional theory and n-electron valence state perturbation theory, to these catalytic systems. These calculations show substantial static correlation in the C–H activation reaction step and predict activation barriers that differ from DFT by 30–70 kJ mol–1, with DFT often qualitatively disagreeing in barrier height trends across transition metals. Analysis of multireference wave functions shows that reactivity is governed by the electronic structure of the M–O moiety along a continuum from metal–oxo to oxyl radical and O biradical character. Increased oxygen-centered spin density and weakened M–O bonding are identified as descriptors of catalytic activity which correlate with lower activation barriers.

Wardzala, Jacob↗
DOE OSTI2025

Accelerating Embedding Potential Optimization by Reconstructing the Pseudo-Valence Electron Density

Density functional embedding theory (DFET) enables use of electronic structure methods with higher accuracy than density functional theory in a local region, with applications thus far ranging from (photo/electro)catalysis to reactions in solution. DFET partitions a large collection of atoms into smaller groups that interact via a shared embedding (interaction) potential V emb , determined via functional optimization. The optimized effective potential (OEP) process used to optimize V emb is time-consuming and becomes a computational bottleneck due to sharp, oscillating features of V emb near nuclei. Here, similar to pseudopotential theory, by reconstructing electron densities used in the OEP process from smoother pseudo-valence-only (PVO) electron densities as proxies for total densities of the full system and subsystems, we can retain accuracy in the embedded electronic structure calculations while potentially reducing the overhead of V emb construction, within the projector augmented-wave (PAW) formalism. We explore three different chemical reactions as exemplars to test PVO–DFET, namely, H 2 dissociative adsorption on a Cu(111) surface, H 2 O adsorption on a Pt(111) surface, and aqueous [Ca 2+ –SO 4 2– ] ion-pair formation. The PVO approximation works well for all three systems with minimal loss of accuracy (∼10–70 meV error relative to the original exact-derivative (ED) approach) while accelerating V emb generation for the Cu and Pt systems respectively by 20× and 5×. Given proper numerical convergence parameters, the spatial distributions of differences between PVO- and ED-based V emb outside the core regions are small, explaining the exceptional agreement between the two approaches. Finally, we anticipate that this more efficient PVO–DFET approximation will be useful whenever computation of V emb is much more expensive than subsequent embedded high-level electron correlation calculations.

approximation↗
DOE OSTI2025

First principles study of the Fermi surface topology of CeCu 2 ⁢Si 2

Since the discovery of heavy-fermion superconductivity in CeCu 2 ⁢Si 2 , the material has attracted great interest, particularly with regard to the nature of the superconducting pairing and its mechanism. Consequently, it is essential to better understand the electronic Fermi surface topology and its role in strong antiferromagnetic fluctuations. The standard density functional theory method is insufficient to model the interplay of strong on-site Coulomb repulsion in localized 4⁢𝑓 electrons and their hybridization with itinerant ligand-orbital electrons. We have performed electronic ground-state calculations on CeCu 2 ⁢Si 2 using the Gutzwiller wave function approximation. The Gutzwiller approximation captures the quasiparticle band renormalization from the strong on-site Coulomb repulsion. We have performed an analysis of this effect on the electronic structure and the Fermi surface topology by varying the interaction strength and taking into account the crystal-field splitting. Using the de Haas-van Alphen effect, the extremal Fermi surface cross-sectional areas were calculated to quantify the effects of quasiparticle mass renormalization on the Fermi surface. Our results confirm the presence of two Fermi surface sheets corresponding to the heavy (488⁢𝑚 𝑒 ) and light (4.35⁢𝑚 𝑒 ) quasiparticles when the crystal-field splitting is accounted for on equal footing with the electronic correlations. This method gives the best agreement with experimental measurements as well as the renormalized band method.

36 MATERIALS SCIENCE↗
NASA NTRS2019

Assessment of Satellite Sea Surface Salinity Products Using a Coupled ENSO Prediction Model

Much work has gone into revising and updating algorithms for converting satellite-measured radiances to useful ocean variables like sea surface salinity (e.g. SMOS - Boutin et al., 2017, SMAP - Fore et al., 2016 and Aquarius - Meissner et al., 2018). As part of our Ocean Salinity Science Team work, we utilize an intermediate-complexity air/sea coupled model as a transfer function to test if more mature satellite SSS model algorithms actually improve ENSO forecast skill. For initialization of the coupled forecast, we demonstrate that the positive impact of SSS assimilation is brought about by surface freshening near the eastern edge of the western Pacific warm pool and density changes that lead to shallower mixed layer between 10S-5N. In addition, salting near the ITCZ leads to a deepening of the mixed layer and thermocline near 8N. These patterns together provide the background state to amplify equatorial Kelvin waves and improve ENSO hindcasts (Hackert et al., 2019). Here we extend this work to compare the impact of various pairs of original and improved satellite SSS algorithms. For instance we compare SMAP V4.1 with the latest, SMAP V4.2, to see what impact algorithm improvements may have on ENSO forecasts. SSS observations are tested on seasonal to interannual variability of tropical Indo-Pacific Ocean dynamics as well as on dynamical ENSO forecasts by initializing twelve-month forecasts for each month of available data. All experiments assimilate satellite sea level (SL), sea surface temperature (SST), and in situ subsurface temperature and salinity observations (Tz, Sz). Additionally various satellite, blended, and in-situ SSS products are assimilated. We find that including satellite SSS significantly improves Niño3.4 sea surface temperature anomaly validation, more mature SSS model algorithms are generally improving ENSO forecasts over time, and more satellite SSS data coverage helps to extend useful forecasts.

Ocean↗
NASA NTRS1981

Magnetohydrodynamic interaction of high-speed streams

Numerical solutions of a magnetohydrodynamic model are carried out to describe the nonlinear interaction of corotating high-speed streams near the solar equatorial plane. Two problems are studied. The first problem is to simulate the evolution of an idealized high-speed stream. Numerical solutions are obtained to represent the variations of flow velocity, magnetic field, plasma density, temperature, and conduction heat flux in the interaction region. They demonstrate that the dynamical interaction and heat conduction process are responsible for the thermal structure of a high-speed stream. The second problem deals with the formation of corotating shock waves near the leading edge of a broad stream resulting from the merging of characteristic curves. Corotating shocks do not necessarily occur in pairs; a reverse shock can be formed without a forward shock nearby.

Whang, Y. C.↗
DOE OSTI2024

Uniaxial strain tuning of charge modulation and singularity in a kagome superconductor

Tunable quantum materials hold great potential for applications. Of special interest are materials in which small lattice strain induces giant electronic responses. The kagome compounds AV 3 Sb 5 (A = K, Rb, Cs) provide a testbed for electronic tunable states. In this study, through angle-resolved photo- emission spectroscopy, we provide comprehensive spectroscopic measure- ments of the electronic responses induced by compressive and tensile strains on the charge-density-wave (CDW) and van Hove singularity (VHS) in CsV 3 Sb 5 . We observe a tripling of the CDW gap magnitudes with ~ 1% strain. Simulta- neously, changes of both energy and mass of the VHS are observed. Combined, this reveals an anticorrelation between the unconventional CDW order para- meter and the mass of the VHS, and highlight the role of the latter in the superconducting pairing. The substantial electronic responses uncover a rich strain tunability of the versatile kagome system in studying quantum inter- plays under lattice variations.

electronic properties and materials↗
NASA NTRS2018

Observational Evidence for Langmuir Wave Collapse in the Source Region of a Solar Type III Radio Burst

High-time-resolution in situ wave observations show that Langmuir waves associated with solar type III radio bursts often occur as coherent localized one-dimensional magnetic-field-aligned wave packets with short durations of a few milliseconds and peak intensities well above the strong turbulence thresholds. In this paper, we report observations of a wave packet obtained by the time domain sampler of the STEREO WAVES experiment, which is unique in the sense that it is the most intense wave packet ever detected in association with a solar type III radio burst, with a peak intensity Et ∼ 107 mVm(sup-1). We show that this wave packet provides evidence for (1) oscillating two-stream instability (OTSI), (2) a collapsing soliton formed as a result of OTSI, (3) the formation of a soliton-caviton pair, and (4) excitation of second and third harmonic electromagnetic waves. We also show that the peak intensity and spatial width satisfy the threshold condition for this wave packet to be the collapsing Langmuir wave packet formed as a result of nucleation processes even when δn(sub b) > δn(sub p), where δn(sub b) and δn(sub p) are the levels of background and ponderomotive-force-induced density fluctuations, respectively. Thus, these observations provide unambiguous evidence for the spatial collapse of Langmuir waves in the source region of a type III radio burst, and the observed spectral evidence for OTSI and the ponderomotive-force-induced density cavity strongly suggest that OTSI is mostly likely responsible for the collapse of the observed wave packet.

Radio↗
DOE OSTI2024

Superconducting and spin-wave orders in Ba 0.6 ⁢K 0.4⁢ Fe 2⁢ As 2 probed by point contact spectroscopy

The doping dependent phase diagram of the iron pnictide systems displays diverse electronic ground states including unconventional superconductivity and magnetic ordering. From previous bulk measurements, it was argued that the superconducting phase of Ba 1-x K x Fe 2 As 2 might be described within a two band formalism where superconductivity emerges with significantly different magnitudes of the pairing amplitude in the different bands. Here, we have performed point contact Andreev reflection spectroscopy on the optimally doped system (x = 0.4) where we found features that misleadingly mimic the signature of multiple gap amplitudes with large energy difference, when the point contacts are away from the ballistic regime. Closer to the ballistic regime, we found two types of spectra. In one type, a single superconducting gap with unusual broadening was found. The broadening might be due to the presence of multiple gap amplitudes with small energy spacing. The other kind of spectra displayed spectral features at ~ 30 meV in the normal state that gradually diminished with increasing temperature and eventually disappeared at 140 K, the spin density wave transition temperature of parent BaFe 2 As 2 . We attribute the 30 meV spectral feature to a characteristic electron-magnon interaction energy scale in the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗