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DOE OSTI2022

Spin excitations in the kagome-lattice metallic antiferromagnet Fe 0.89 Co 0.11 Sn

Kagome-lattice materials have attracted tremendous interest due to the broad prospect for seeking superconductivity, quantum spin liquid states, and topological electronic structures. Among them, the transition-metal kagome lattices are high-profile objects for the combination of topological properties, rich magnetism, and multiple-orbital physics. Here we report an inelastic neutron scattering study on the spin dynamics of a kagome-lattice antiferromagnetic metal Fe 0.89 Co 0.11 Sn. Although the magnetic excitations can be observed up to ~250 meV, well-defined spin waves are only identified below ~90 meV and can be modeled using Heisenberg exchange with ferromagnetic in-plane nearest-neighbor coupling J 1 , in-plane next-nearest-neighbor coupling J 2 , and antiferromagnetic (AFM) interlayer coupling J c under linear spin-wave theory. Above ~90 meV, the spin waves enter the itinerant Stoner continuum and become highly damped particle-hole excitations. At the K point of the Brillouin zone, we reveal a possible band crossing of the spin wave, which indicates a potential Dirac magnon. Finally, our results uncover the evolution of the spin excitations from the planar AFM state to the axial AFM state in Fe 0.89 Co 0.11 Sn, solve the magnetic Hamiltonian for both states, and confirm the significant influence of the itinerant magnetism on the spin excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1984

An observational study of large-scale atmospheric Rossby waves during FGGE

Analyzed global data from the European Center for Medium Range Weather Forecasts for the FGGE year are projected onto Hough functions at each synoptic time and the time series filtered to retain all westward propagating components on time scales less than seasonal. The evolution of Hough mode phase agrees closely with Rossby wave theory whenever the amplitudes are not small. The evolution of the wave amplitude is described as irregular vacillation. The first three zonal and meridional wavenumbers are studied. The total Rossby wave field can be as large as 130 m and can potentially explain a significant part of observed, persistent anomalies.

Lindzen, R. S.↗

DOE OSTI2023

The NANOGrav 15 yr Data Set: Search for Signals from New Physics

The 15 yr pulsar timing data set collected by the North American Nanohertz Observatory for Gravitational Waves (NANOGrav) shows positive evidence for the presence of a low-frequency gravitational-wave (GW) background. In this paper, we investigate potential cosmological interpretations of this signal, specifically cosmic inflation, scalar-induced GWs, first-order phase transitions, cosmic strings, and domain walls. We find that, with the exception of stable cosmic strings of field theory origin, all these models can reproduce the observed signal. When compared to the standard interpretation in terms of inspiraling supermassive black hole binaries (SMBHBs), many cosmological models seem to provide a better fit resulting in Bayes factors in the range from 10 to 100. However, these results strongly depend on modeling assumptions about the cosmic SMBHB population and, at this stage, should not be regarded as evidence for new physics. Furthermore, we identify excluded parameter regions where the predicted GW signal from cosmological sources significantly exceeds the NANOGrav signal. These parameter constraints are independent of the origin of the NANOGrav signal and illustrate how pulsar timing data provide a new way to constrain the parameter space of these models. Finally, we search for deterministic signals produced by models of ultralight dark matter (ULDM) and dark matter substructures in the Milky Way. We find no evidence for either of these signals and thus report updated constraints on these models. In the case of ULDM, these constraints outperform torsion balance and atomic clock constraints for ULDM coupled to electrons, muons, or gluons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Activating Single‐Atom Ni Site via First‐Shell Si Modulation Boosts Oxygen Reduction Reaction

Abstract Atomically dispersed nitrogen‐coordinated 3d transition‐metal site on carbon support (M‐NC) are promising alternatives to Pt group metal‐based catalysts toward oxygen reduction reaction (ORR). However, despite the excellent activities of most of M‐NC catalysts, such as Fe‐NC, Co‐NC et al., their durability is far from satisfactory due to Fenton reaction. Herein, this work reports a novel Si‐doped Ni‐NC catalyst (Ni‐SiNC) that possesses high activity and excellent stability. X‐ray absorption fine structure and aberration‐corrected transmission electron microscopy uncover that the single‐atom Ni site is coordinated with one Si atom and three N atoms, constructing Ni‐Si 1 N 3 moiety. The Ni‐SiNC catalyst exhibits a half‐wave potential (E 1/2 ) of 0.866 V versus RHE, with a distinguished long‐term durability in alkaline media of only 10 mV negative shift in E 1/2 after 35 000 cycles, which is also validated in Zn‐air battery. Density functional theory calculations reveal that the Ni‐Si 1 N 3 moiety facilitates ORR kinetics through optimizing the adsorption of intermediates.

Chemistry↗

NASA NTRS1974

Theory of discrete vortex noise

A solution is obtained for the noise induced by vortex shedding from the trailing edge of a semiinfinite flat plate. The method of solution for the potential flow is based on a procedure whereby an inner incompressible flow is matched to an outer acoustic field. Acoustic wave fronts are calculated and compared qualitatively with schlieren photographs of similar flows. The acoustic directivity pattern is obtained, and the extreme sensitivity of this parameter to the incompressible flow near the trailing edge of the plate is investigated.

Davis, S. S.↗

DOE OSTI2022

A review of computational methods for studying oscillating water columns – the Navier-Stokes based equation approach

This review evaluates the state-of-the-practice numerical tools used to predict the performance of Oscillating Water Column (OWC). The OWC is a widely studied Wave Energy Converter that provides a reliable form of renewable form of electricity that can potentially meet global energy needs. However, the fluid-flow phenomena affecting its hydrodynamic performance are not fully understood. While there has been the successful full-scale deployment of OWCs, various computational methods are being explored to optimize this technology. Potential flow theory is commonly used to evaluate the efficiency of OWCs; however, this assumption tends to over-predict the hydrodynamic performance. Recently, numerical studies using a diverse set of commercial, open-source, or in-house Computational Fluid Dynamics (CFD) using Reynolds Averaged Navier Stokes (RANS) and Large-Eddy Simulation codes show a better comparison to available experimental results but are computationally expensive. ANSYS Fluent was found to be the most widely used CFD code applied to the study of the OWCs, with a high degree of accuracy in terms of experimental validation of numerical results.

16 TIDAL AND WAVE POWER↗

DOE OSTI2024

Conventional single-gap $s-$wave superconductivity and hidden peak effect in single crystals of Mo$_8$Ga$_{41}$ superconductor

London and Campbell penetration depths were measured in single crystals of the endohedral gallide cluster superconductor, Mo _8 8 Ga _41 41 . The full temperature range superfluid density, \rho_s(T) ρ s ( T ) , is consistent with the clean isotropic s- s − wave weak-coupling BCS theory without any signs of the second gap or strong coupling. The temperature dependence of the Campbell length is hysteretic between zero-field cooling (ZFC) and field-cooling (FC) protocols, indicating an anharmonic vortex pinning potential. The field dependence of the effective critical current density, j_{c}(H) j c ( H ) , reveals an unusual result. While in the ZFC protocol, j_{c}(H) j c ( H ) is monotonically suppressed by the magnetic field, it exhibits a profound “hidden” peak effect in the FC protocol, that is, without a vortex density gradient. We suggest a possible novel mechanism for such a peak effect, which involves both static and dynamic aspects of vortex pinning.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Bilocal Field Theory for Composite Scalar Bosons

We give a bilocal field theory description of a composite scalar with an extended binding potential that reduces to the Nambu–Jona-Lasinio (NJL) model in the pointlike limit. This provides a description of the internal dynamics of the bound state and features a static internal wave function, $\phi(\vec{r})$, in the center-of-mass frame that satisfies a Schrödinger–Klein–Gordon equation with eigenvalues m 2 . We analyze the “coloron” model (single perturbative massive gluon exchange) which yields a UV completion of the NJL model. This has a BCS-like enhancement of its interaction, ∝N c the number of colors, and is classically critical with g critical remarkably close to the NJL quantum critical coupling. Negative eigenvalues for m 2 lead to spontaneous symmetry breaking, and the Yukawa coupling of the bound state to constituent fermions is emergent.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1983

Remote sensing of vegetation and soil moisture

Progress in the investigation of problems related to the remote sensing of vegetation and soil moisture is reported. Specific topics addressed include: (1) microwave scattering from periodic surfaces using a rigorous modal technique; (2) combined random rough surface and volume scattering effects; (3) the anisotropic effects of vegetation structures; (4) the application of the strong fluctuation theory to the the study of electromagnetic wave scattering from a layer of random discrete scatterers; and (5) the investigation of the scattering of a plane wave obliquely incident on a half space of densely distributed spherical dielectric scatterers using a quantum mechanical potential approach.

Kong, J. A.↗

DOE OSTI2021

Nucleon-nucleon potentials from Δ-full chiral effective-field-theory and implications

We closely investigate NN potentials based upon the Δ-full version of chiral effective-field-theory. We find that recently constructed NN potentials of this kind, which (when applied together with three-nucleon forces) were presented as predicting accurate binding energies and radii for a range of nuclei from A = 16 to A = 132 and providing accurate equations of state for nuclear matter, yield a χ 2 /datum of 60 for the reproduction of the pp data below 100 MeV laboratory energy. This χ 2 is more than three times what the Hamada-Johnston potential of the year of 1962 achieved already some 60 years ago. We perceive this historical fact as concerning in view of the current emphasis on precision. We are able to trace the very large χ 2 as well as the apparent success of the potentials in nuclear structure to unrealistic predictions for P-wave states, in which the Δ-full next-to-next-to-leading order (NNLO) potentials are off by up to 40 times the NNLO truncation errors. In fact, we show that the worse the description of the P-wave states, the better the predictions in nuclear structure. Thus, these potentials cannot be seen as the solution to the outstanding problems in current microscopic nuclear structure physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Possible role of grain-boundary and dislocation structure for the magnetic-flux trapping behavior of niobium: A first-principles study

In this work, first-principles methods were used to understand magnetic flux trapping at vacancies, dislocations, and grain boundaries in high-purity superconducting niobium. Full-potential linear augmented plane-wave methods were applied in progressively greater complexity, starting at simple vacancies and extending to screw dislocations and tilt grain boundaries to analyze the effects of magnetic field on the superconducting state surrounding these defects. Density-functional theory calculations identified changes in electronic structure at the dislocation core and different types of symmetric tilt grain boundaries relative to bulk niobium. Electron redistribution enhanced nonparamagnetic effects and thus perturb superconductivity, resulting in local conditions suitable for premature flux penetration and subsequently flux pinning. Since the coherence length of superconducting niobium at 0 K is significantly larger than the lattice parameter, the effects of line and planar defects in niobium are predicted to be stronger for defect clusters than single defects in isolation, which is consistent with recent experimental observations. Controlling accumulation or depletion of charge at the defects, e.g., by segregation of an impurity atom, can mitigate these tendencies thus increasing the quality of superconducting niobium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Close Proximity to a Quantum Phase Transition in TmZn2⁢GaO5

TmZn2⁢GaO5 is a newly synthesized triangular lattice magnet that exhibits a unique quantum phase characterized by strong Ising anisotropy, a pseudodoublet crystal electric field ground state, and a low-energy gapped excitation at the 𝐾 point. Unlike its well-known counterparts, TmMgGa⁢O4 and YbMgGa⁢O4, this material crystallizes in a distinct hexagonal structure, leading to a platform for investigating frustrated magnetism. Magnetic susceptibility, heat capacity, and inelastic neutron scattering measurements confirm the absence of long-range magnetic order down to 50 mK, placing TmZn2⁢GaO5 in a distinct region of the transverse-field Ising model phase diagram. Theoretical calculations based on spin-wave theory and mean-field modeling reproduce key experimental observations, reinforcing the material’s placement in a quantum disordered or multipolar state near a quantum critical point that separates it from the low-energy phase of TmMgGa⁢O4. These results highlight its potential for exploring quantum disordered states, anisotropic excitations, and exotic quantum phases in frustrated spin systems.

Ennis, Matthew [Department of Physics, Duke Univer↗

NASA NTRS2022

Systematic Detection of Anomalous Ionospheric Perturbations Above LEOs From GNSS POD Data Including Possible Tsunami Signatures

In this article, we show the capability of a global navigation satellite system (GNSS) precise orbit determination (POD) low Earth orbit (LEO) data to detect anomalous ionospheric disturbances in the spectral range of the signals associated with earthquakes and tsunamis, applied to two of these events in Papua New Guinea (PNG) and the Solomon Islands during 2016. This is achieved thanks to the new PIES approach (POD-GNSS LEO Detrended Ionospheric Electron Content Significant Deviations). The significance of such ionospheric signals above the swarm LEOs is confirmed with different types of independent data: in situ electron density measurements provided by the Langmuir Probe (LP) onboard swarm LEOs, DORIS, and ground-based GNSS colocated measurements, as it is described in this article. In this way, we conclude the possible detection of the tsunami-related ionospheric gravity wave in PNG 2016 event, consistent with the most-recent theory, which shows that a tsunami (which is localized in space and time) excites a spectrum of gravity waves, some of which have faster horizontal phase speeds than the tsunami. We believe that this work shows as well the feasibility of a future potential monitoring system of ionospheric disturbances, to be made possible by hundreds of CubeSats with POD GNSS receivers among other appropriate sensors, and supported for real-time or near real-time confirmation and characterization by thousands of worldwide existing ground GNSS receivers.

Global Navigation Satellite System↗

NASA NTRS1994

Lunar and martian meteorite delivery services

Launch mechanisms for lunar and martian meteorites have been investigated, by integrating physical modeling constraints, geochemical cosmic-ray exposure (CRE) constraints, and petrologic constraints. The potential source region for lunar meteorites is remarkably small compared to the final crater volume. CRE constraints indicate that most launches start at depths of less than or equal to 3.2 m, and cratering theory implies derivation of suitably accelerated objects from a subvolume with diameter only about 0.3 x the final crater diameter. The shallow depth provenance is probably related to shock-wave interference, enhanced by the lunar regolith's extremely low compressional wave velocity. CRE constraints alone imply that four to five separate launch events are represented among the eight well-studied lunar meteorites. Most of the lunar meteorites are regolith breccias, which tend to show only limited compositional diversity within any kilometer-scale region of the Moon. Several others are polymict breccias, which also show relatively subdued compositional diversity, compared to igneous rocks. The observed diversity among these samples in terms of abundances of mare basalt and KREEP, and in Mg/(Mg + Fe) ratio, implies that among eight well-studied lunar meteorites only two potential source craters pairings are plausible: between Asuka-881757 + Y-793169 (most probable) and between Y-793274 + EET875721. Altogether, these eight lunar meteorites apparently represent at least six separate source craters, including three in the past 10(exp 5) years and five in the past 10(exp 6) years. CRE constraints imply that SNC meteorites are launched from systematically greater than lunar meteorites. SNCs are also systematically bigger, and all nine well-studied SNCs are uncommonly young (by martian standards) mafic igneous rocks. Comparison between Viking and Apollo results reveals that rocks the size of common meteorites are remarkably scarce in the martian regolith, probably due to pervasive weathering. A plausible explanation for these trends is that most old, small, and shallow rocks on Mars have been weakened by a two-stage process of brecciation followed by pervasive weathering, to the point where they seldom survive the stresses of spallation off the planet. The scarcity of source-crater pairing among the lunar meteorites implies that these objects can be launched from craters much smaller than previously estimated and tends to support the suggestion of Rabinowitz (1993) that present-day cratering rates for the Earth-Moon region may be higher than previously estimated.

Warren, Paul H.↗

DOE OSTI2023

Effect of Linker Structure and Functionalization on Secondary Gas Formation in Metal–Organic Frameworks

Rare-earth terephthalic acid (BDC)-based metal–organic frameworks (MOFs) are promising candidate materials for acid gas separation and adsorption from flue gas streams. However, previous simulations have shown that acid gases (H 2 O, NO 2 , and SO 2 ) react with the hydroxyl on the BDC linkers to form protonated acid gases as a potential degradation mechanism. Herein, gas-phase computational approaches were used to identify the formation energies of these secondary protonated acid gases across multiple BDC linker molecules. Formation energies for secondary protonated acid gases were evaluated using both density functional theory (DFT) and correlated wave function methods for varying BDC–gas reaction mechanisms. Upon validation of DFT to reproduce wave function calculation results, rotated conformational linkers and chemically functionalized BDC linkers with -OH, -NH 2 , and -SH were investigated. Furthermore, the calculations show that the rotational conformation affects the molecule stability. Double-functionalized BDC linkers, where two functional groups are substituted onto BDC, showed varied reaction energies depending on whether the functional groups donate or withdraw electrons from the aromatic system. Based on these results, BDC linker design must balance adsorption performance with degradation via linker dehydrogenation for the design of stable MOFs for acid gas separations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1976

Improved computational treatment of transonic flow about swept wings

Relaxation solutions to classical three-dimensional small-disturbance (CSD) theory for transonic flow about lifting swept wings are reported. For such wings, the CSD theory was found to be a poor approximation to the full potential equation in regions of the flow field that are essentially two-dimensional in a plane normal to the sweep direction. The effect of this deficiency on the capture of embedded shock waves in terms of (1) the conditions under which shock waves can exist and (2) the relations they must satisfy when they do exist is emphasized. A modified small-disturbance (MSD) equation, derived by retaining two previously neglected terms, was proposed and shown to be a consistent approximation to the full potential equation over a wider range of sweep angles. The effect of these extra terms is demonstrated by comparing CSD, MSD, and experimental wing surface pressures.

Ballhaus, W. F.↗

NASA NTRS1993

Unsteady aerodynamics and flutter based on the potential equation

A time-domain three-dimensional full-potential solver is coupled with a linear structural dynamics model to investigate the unsteady aerodynamics and aeroelasticity of propfans. The solver allows calculations in multiple blade passages with independent blade motions. Aeroelastic calculations are performed in both frequency and time domains. Results are presented for two propfan configurations. Good agreement is seen between the full-potential results and results from linear theory since the flow is subsonic and the thickness of the propfan blades is small; the agreement is not as good for the cases in which the angle of attack is high. Some difficulty is encountered due to wave reflections from outer computational boundaries; however, this does not affect the results in the range of frequencies of interest.

Bakhle, Milind A.↗

NASA NTRS2019

Tests of General Relativity and Fundamental Physics with Space-based Gravitational Wave Detectors

Low-frequency gravitational-wave astronomy can perform precision tests of general relativity and probe fundamental physics in a regime previously inaccessible. A space-based detector will be a formidable tool to explore gravity's role in the cosmos, potentially telling us if and where Einstein's theory fails and providing clues about some of the greatest mysteries in physics and astronomy, such as dark matter and the origin of the Universe.

Berti, Emanuele↗