Search NASA⌕ Search

SEARCH · Search NASA

Results for “GROUND WAVE”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Single-Determinant Ground State in Ce 4+ Imidophosphorane Complexes

X-ray spectroscopy techniques are critical in the electronic structure analysis of high-valent lanthanides. The interpretation of multipeaked features at the lanthanide L 3 -edge has remained a challenging question, as it is observed across a range of material classes. A series of structurally related Ce 4+ complexes were prepared to probe the potential ligand field perturbation of the ground state within the series. The tuning of relative 4f and ligand orbital energies in homoleptic and heteroleptic tetravalent Ce imidophosphorane complexes is achieved through ligand derivatization and is clearly demonstrated by UV−vis spectroscopy and electrochemically measured redox potentials. However, Ce L 3 - edge high-energy resolution fluorescence-detected (HERFD) X-ray absorption near-edge structure (XANES) spectra present features at consistent numbers and energies across the range of complexes. Resonant inelastic X-ray scattering (RIXS) is employed to visualize the observed features in the HERFD-XANES spectra. Large complete active space configuration interaction singles and doubles (CASCISD) calculations demonstrate that the ground-state wave function of all complexes can be described employing a single determinant. As a result, the multielectron feature at the L 3 -edge observed in this study for the Ce 4+ imidophosphorane complexes is described as excited-state multiconfigurational behavior that is independent of ligand variation, in systems where the ground state is described using the simple single determinant wave function.

Lanthanides↗
NASA NTRS1988

A ground-based technique for millimeter wave spectroscopic observations of stratospheric trace constituents

Recent concern over possible long term stratospheric changes caused by the introduction of man-made compounds has increased the need for instrumentation that can accurately measure stratospheric minor constituents. The technique of radio spectroscopy at millimeter wavelengths was first used to observe rotational transitions of stratospheric ozone nearly two decades ago, but has not been highly developed until recently. A ground-based observing technique is reported which employs a millimeter-wave superheterodyne receiver and multichannel filter spectrometer for measurements of stratospheric constituents that have peak volume mixing ratios that are less than 10 to the -9th, more than 3 orders of magnitude less than that for ozone. The technique is used for an extensive program of observations of stratospheric chlorine monoxide and also for observations of other stratospheric trace gases such as (O-16)3, vibrationally excited (O-16)3, (O-18)2(O-16), N2O, HO2, and HCN. In the present paper, analysis of the observing technique is given, including the method of calibration and analysis of sources of error. The technique is found to be a reliable means of observing and monitoring important stratospheric trace constituents.

Parrish, A.↗
NASA NTRS1989

Rocket observations of the precipitation of electrons by ground VLF transmitters

Recent results obtained with electric and magnetic receivers aboard a NASA sounding rocket launched on July 31, 1987 are presented which relate multiple electron spectral peaks observed in the bounce loss cone fluxes to the resonant interaction of electrons with VLF waves from ground transmitters. The correlation of transmitter signals passing through the ionosphere with the precipitated electrons was investigated. The analysis of these in situ wave and particle data addresses the propagation of waves through the ionosphere, and, through an application of the resonant theory, enables an estimation of the cold plasma density in the interaction region.

Arnoldy, Roger L.↗
DOE OSTI2022

Construction of wave dark matter halos: Numerical algorithm and analytical constraints

Here we present a wave generalization of the classic Schwarzschild method for constructing self-consistent halos—such a halo consists of a suitable superposition of waves instead of particle orbits, chosen to yield a desired mean density profile. As an illustration, the method is applied to spherically symmetric halos. We derive an analytic relation between the particle distribution function and the wave superposition amplitudes and show how it simplifies in the high-energy (WKB) limit. We verify the stability of such constructed halos by numerically evolving the Schrödinger-Poisson system. The algorithm provides an efficient and accurate way to simulate the time-dependent halo substructures from wave interference. We use this method to construct halos with a variety of density profiles, all of which have a core from the ground-state wave function, though the core-halo relation need not be the standard one.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Systematically localizable operators for quantum simulations of quantum field theories

Correlations and measures of entanglement in ground-state wave functions of relativistic quantum field theories are spatially localized over length scales set by the mass of the field. We utilize this localization to design digital quantum circuits for preparing the ground states of lattice scalar quantum field theories. Controlled rotations that are exponentially localized in their position-space extent are found to provide exponentially convergent wave function fidelity. These angles scale with the correlation between sites and the classical two-point correlation function, as opposed to the more localized mutual information or the hyperlocalized (1×1)-site negativity. We anticipate that further investigations will uncover quantum circuit designs with controlled rotations dictated by the measures of entanglement. This work is expected to impact quantum simulations of systems of importance to nuclear physics, high-energy physics, and basic energy sciences research.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Bosonic field digitization for quantum computers

Quantum simulation of quantum field theory is a flagship application of quantum computers that promises to deliver capabilities beyond classical computing. The realization of quantum advantage will require methods that can accurately predict error scaling as a function of the resolution and parameters of the model and that can be implemented efficiently on quantum hardware. In this paper, we address the representation of lattice bosonic fields in a discretized field amplitude basis, develop methods to predict error scaling, and present efficient qubit implementation strategies. A low-energy subspace of the bosonic Hilbert space, defined by a boson occupation number cutoff, can be represented with exponentially good accuracy by a low-energy subspace of a finite-size Hilbert space. The finite representation construction and the associated errors are directly related to the accuracy of the Nyquist-Shannon sampling and the finite Fourier transforms of the boson number states in the field and the conjugate-field bases. We analyze the relation between the boson mass, the discretization parameters used for wave function sampling, and the finite representation size. Numerical simulations of small size Φ 4 problems demonstrate that the boson mass optimizing the sampling of the ground state wave function is a good approximation to the optimal boson mass yielding the minimum low-energy subspace size. However, we find that accurate sampling of general wave functions does not necessarily result in accurate representation. Finally, we develop methods for validating and adjusting the discretization parameters to achieve more accurate simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1987

Wave-measurement capabilities of the surface contour radar and the airborne oceanographic lidar

The 36-gigahertz surface contour radar and the airborne oceanographic lidar were used in the SIR-B underflight mission off the coast of Chile in October 1984. The two systems and some of their wave-measurement capabilities are described. The surface contour radar can determine the directional wave spectrum and eliminate the 180-degree ambiguity in wave propagation direction that is inherent in some other techniques such as stereophotography and the radar ocean wave spectrometer. The Airborne Oceanographic Lidar can acquire profile data on the waves and produce a spectrum that is close to the nondirectional ocean-wave spectrum for ground tracks parallel to the wave propagation direction.

Walsh, Edward J.↗
DOE OSTI2021

Neutron-neutron scattering length from the 6 He(p,pα)nn reaction

We propose a novel method to measure the neutron-neutron scattering length using the 6 He(p,pα)nn reaction in inverse kinematics at high energies. The method is based on the final-state interaction (FSI) between the neutrons after the sudden knockout of the α particle. We show that the details of the neutron-neutron relative-energy distribution allow for a precise extraction of the s-wave scattering length. Here, we present the state of the art in regard to the theory of this distribution. The distribution is calculated in two steps. First, we calculate the ground-state wave function of 6 He as a αnn three-body system. For this purpose we use Halo effective field theory, which also provides uncertainty estimates for the results. We compare our results at this stage to model calculations done with the computer code face. In a second step we determine the effects of the nn FSI using the nn t-matrix. We compare these FSI results to approximate FSI approaches based on standard FSI enhancement factors. While the final distribution is sensitive to the nn scattering length, it depends only weakly on the effective range. Throughout we emphasize the impact of theoretical uncertainties on the neutron-neutron relative-energy distribution, and discuss the extent to which those uncertainties limit the extraction of the neutron-neutron scattering length from the reaction 6 He(p,pα)nn.

6 ≤ A ≤ 19↗
NASA NTRS1999

Time-Delay Interferometry for Space-based Gravitational Wave Searches

Ground-based, equal-arm-length laser interferometers are being built to measure high-frequency astrophysical graviatational waves. Because of the arm-length equality, laser light experiences the same delay in each arm and thus phase or frequency noise from the laser itself precisely cancels at the photodetector.

gravitational wave searches time-delay interferome↗
NASA NTRS2016

Multi-Band Multi-Tone Tunable Millimeter-Wave Frequency Synthesizer For Satellite Beacon Transmitter

This paper presents the design and test results of a multi-band multi-tone tunable millimeter-wave frequency synthesizer, based on a solid-state frequency comb generator. The intended application of the synthesizer is in a satellite beacon transmitter for radio wave propagation studies at K-band (18 to 26.5 GHz), Q-band (37 to 42 GHz), and E-band (71 to 76 GHz). In addition, the architecture for a compact beacon transmitter, which includes the multi-tone synthesizer, polarizer, horn antenna, and power/control electronics, has been investigated for a notional space-to-ground radio wave propagation experiment payload on a small satellite. The above studies would enable the design of robust high throughput multi-Gbps data rate future space-to-ground satellite communication links.

Antenna↗
NASA NTRS2014

Multi-Band (K- Q- and E-Band) Multi-Tone Millimeter-Wave Frequency Synthesizer for Radio Wave Propagation Studies

This paper presents the design and test results of a multi-band multi-tone millimeter-wave frequency synthesizer, based on a solid-state frequency comb generator. The intended application of the synthesizer is in a space-borne transmitter for radio wave atmospheric studies at K-band (18 to 26.5 GHz), Q-band (37 to 42 GHz), and E-band (71 to 76 GHz). These studies would enable the design of robust multi-Gbps data rate space-to-ground satellite communication links. Lastly, the architecture for a compact multi-tone beacon transmitter, which includes a high frequency synthesizer, a polarizer, and a conical horn antenna, has been investigated for a notional CubeSat based space-to-ground radio wave propagation experiment.

Satellite Communications↗
NASA NTRS1981

ISEE-1 observations in the magnetosphere of VLF emissions triggered by nonducted coherent VLF waves during VLF wave-injection experiments

It is noted that recent data from the ISEE-1 spacecraft indicate that VLF emissions triggered by conducted coherent VLF waves often possess spectral characteristics markedly different from those of emissions triggered by ducted waves. Emission triggering by nonducted waves is found to involve a strong path selectiveness. It is also established that emission triggering by nonducted waves can take place over a wide L-range and may involve inner radiation belt particles of energy up to 200 keV. It is concluded that the VLF emission generation process can occur under much more general conditions than previously believed on the basis of the results of ground-to-ground wave-injection experiments.

Bell, T. F.↗
DOE OSTI2023

Superconducting valence bond fluid in lightly doped eight-leg $t-J$ cylinders

Superconductivity in doped quantum paramagnets has been a subject of long theoretical inquiry. In this work, we report a density matrix renormalization group study of lightly doped $t-J$ models on the finite-width square lattice (doped hole densities $δ$ = 1/12 and 1/8) with parameters for which previous studies have suggested that the undoped system in 2D is either a quantum spin liquid or a valence bond crystal. Our studies are performed on cylinders with width up to 8. Here, ground-state correlations are found to be nearly identical for the “doped quantum spin liquid” and “doped valence bond crystal.” Upon increasing the cylinder widths from 4 to 8, we observed a significant strengthening of the quasi-long-range superconducting correlations and a dramatic suppression of any “competing” charge density wave order. Extrapolating from the observed behavior of the width eight cylinders, we speculate that the system has a nodeless $d$-wave superconducting ground state in the 2D limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

The reflected entanglement spectrum for free fermions

We consider the reflected entropy and the associated entanglement spectrum for free fermions reduced to two intervals in 1 + 1 dimensions. Working directly in the continuum theory the reflected entropy can be extracted from the spectrum of a singular integral equation whose kernel is determined by the known free fermion modular evolved correlation function. We find the spectrum numerically and analytically in certain limits. For intervals that almost touch the reflected entanglement spectrum approaches the spectrum of the thermal density matrix. This suggests that the reflected entanglement spectrum is well suited to the task of extracting physical data of the theory directly from the ground state wave function.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Diffusion Monte Carlo Study of the Structure and Spectroscopy of H 3 O –

A potential energy surface for H 3 O – has been developed based on the NN+(MOB-ML) approach we developed for studies of complexes of OH – with two or three water molecules. Unlike those systems, H 3 O – has two low-energy isomers, H – ·H 2 O and OH – ·H 2 , which differ in energy by less than 2.5 kcal mol –1 , and which are separated by a barrier of roughly 4.5 kcal mol –1 . We find that by training the NN+(MOB-ML) model using structures based on diffusion Monte Carlo (DMC) simulations initiated in the two potential minima, we are able to obtain a potential surface that describes both isomers. Using these potentials, the structure and spectra of H 3 O – and its deuterated analogues are investigated using DMC. These calculations show that the ground state wave function for H 3 O – is mainly localized in the H – ·H 2 O minimum in the potential, with a small amount of the probability amplitude (<5%) in the region of the OH – ·H 2 minimum. The delocalization of the wave function into the secondary minimum is lowered by deuteration of the water molecule, while replacing H – with D – increases the isomerization due to the shortening of the average distance between the hydride ion and the hydrogen atom in water to which it is bound. Introducing one quantum of excitation in the H – ···H 2 O stretching vibration increases the amount of isomerization, while the isomerization decreases with additional excitation of this mode. Excitation of the free OH stretch in the water molecule also increases the amount of isomerization, while excitation of the out-of-plane bending vibration suppresses the isomerization. Furthermore, the effects of partial deuteration on the frequencies for these vibrations are also explored.

Chemical structure↗
DOE OSTI2024

Multiconfigurational Electronic Structure of Nickel Cross-Coupling Catalysts Revealed by X-ray Absorption Spectroscopy

Ni II 2,2'-bipyridine complexes are commonly invoked intermediates in metallaphotoredox cross-coupling reactions. Despite their ubiquity, design principles targeting improved catalytic performance remain underdetermined. A series of Ni( R bpy)( R 'Ar)Cl (R = MeOOC, t-Bu, R' = CH 3 , CF 3 ) complexes were proposed to have multiconfigurational electronic structures on the basis of multiconfigurational/multireference calculations, with significant mixing of Ni → bpy metal-to-ligand charge transfer (MLCT) configurations into the ground-state wave function. Here, Ni K-edge and L 2,3 -edge X-ray absorption spectroscopies provide experimental support for the highly covalent and multiconfigurational electronic structures of these complexes. The pre-edge intensity in the K-edge spectrum reflects highly covalent Ni–aryl bonding. The L 3 -edge spectral shape is dependent on ligand functionalization, and a feature reflecting the MLCT character is assigned using prior ab initio and new semiempirical calculations. The results suggest the push/pull effects of the aryl/bpy ligands moderate the changes in electron density on Ni during the multiredox cross-coupling reaction cycle.

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

High-resolution infrared spectroscopy of jet cooled cyclobutyl in the α-CH stretch region: large-amplitude puckering dynamics in a 4-membered ring radical

We report gas-phase cyclobutyl radical (c-C 4 H 7 ) is generated at a rotational temperature of T rot = 26(1) K in a slit-jet discharge mixture of 70% Ne/30% He and 0.5–0.6% cyclobromobutane (c-C 4 H 7 Br). A fully rovibrationally resolved absorption spectrum of the α-CH stretch fundamental band between 3062.9 cm −1 to 3075.7 cm −1 is obtained and analyzed, yielding first precision structural and dynamical information for this novel radical species. The α-CH stretch band origin is determined to be 3068.7887(4) cm −1 , which implies only a modest (≈0.8 cm −1 ) blue shift from rotationally unresolved infrared spectroscopic studies of cyclobutyl radicals in liquid He droplets [ A. R. Brown, P. R. Franke and G. E. Douberly, J. Phys. Chem. A , 2017, 121 , 7576–7587]. Of particular dynamical interest, a one-dimensional potential energy surface with respect to the ring puckering coordinate is computed at CCSD(T)/ANO2 level of theory and reveals a double minimum C s puckered geometry, separated by an exceedingly shallow planar C 2v transition state barrier (E barr ≈ 1 cm −1 ). Numerical solutions on this double minimum potential yield a zero-point energy for the ground state (E zero-point ≈ 27 cm −1 ) greatly in excess of the interconversion barrier. This is indicative of highly delocalized, large amplitude motion of the four-membered ring structure, for which proper vibrationally averaging of the moment of inertia tensor reproduces the experimentally determined inertial defect remarkably well. Finally, intensity alternation in the experimental spectrum due to nuclear spin statistics upon exchange of three indistinguishable H atom pairs (IH = ½) matches K a + K c = even : odd = 36 : 28 predictions, implying that the unpaired electron in the radical center lies in an out-of-plane p π orbital. Thus, high-resolution infrared spectroscopy provides first experimental confirmation of a shallow double minimum ring puckering potential with a highly delocalized ground state wave function peaked at a planar C 2v transition state geometry consistent with a cyclobutyl π radical.

Chemistry↗
DOE OSTI2024

Unraveling the magnetic ground state in the alkali-metal lanthanide oxide Na 2 ⁢Pr⁡O 3

Here, a comprehensive set of muon spin spectroscopy and neutron scattering measurements supported by ab initio and model Hamiltonian simulations have been used to investigate the magnetic ground state of Na 2 ⁢PrO 3 . μSR reveals a Néel antiferromagnetic order below T N ~ 4.9K, with a small static magnetic moment m static ≤ 0.22 μ B /Pr collinearly aligned along the c axis. Inelastic neutron measurements reveal the full spectrum of crystal field excitations and confirm that the Pr 4+ ground-state wave function deviates significantly from the Γ 7 limit that is relevant to the Kitaev model. Single- and two-magnon excitations are observed in the ordered state below T N =4.6K and are well described by nonlinear spin wave theory from the Néel state using a magnetic Hamiltonian with Heisenberg exchange J=1 meV and symmetric anisotropic exchange Γ/J=0.1, corresponding to an XY model. Intense two magnon excitations are accounted for by g-factor anisotropy g z /g ± = 1.29. A fluctuating moment δm 2 = 0.57 ⁢(22) ⁢μ$^2_B$/Pr extracted from the energy and momentum integrated inelastic neutron signal is reduced from expectations for a local J = 1/2 moment with average g factor g avg ≈ 1.1. Together, the results demonstrate that the small moment in Na 2 ⁢PrO 3 arises from crystal field and covalency effects and the material does not exhibit significant quantum fluctuations.

36 MATERIALS SCIENCE↗