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Results for “ELECTRIC DIPOLE”

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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Rovibrational intensities for the Delta V = 1 bands of the X 3Sigma(-) NH radical - Experiment and theory

The vibrational transition dipole moment for the highly reactive radical species NH in its ground electronic state is obtained via the Herman-Wallis effect manifest in emission spectra produced in a plasma reactor. The results of these experiments on the five lowest Delta V = 1 bands are in good agreement with high quality ab initio calculations of the electric dipole moment function.

Chackerian, C., Jr.↗
DOE OSTI2022

Out-of-plane polarization and topological magnetic vortices in multiferroic CrPSe 3

Two-dimensional multiferroic materials are ideal systems for exploring new coupling mechanisms between different ferroic orders and producing novel quantum phenomena with potential applications. Here we employ first-principles density functional theory calculations to discover intrinsic ferroelectric and antiferroelectric phases of Cr⁢P⁢Se 3 , which show ferromagnetic order and compete with the centrosymmetric phase with an antiferromagnetic order. Our analysis shows that the electrical dipoles of such type-I multiferroic phases come from the out-of-plane displacements of phosphorus ions due to the stereochemically active lone pairs. The coupling between polar and magnetic orders creates the opportunity for tuning the magnetic ground state by switching from the centrosymmetric to the ferroelectric phase using an out-of-plane electric field. In ferroelectric and antiferroelectric phases, the combination of easy-plane anisotropy and Dzyaloshinskii-Moriya interactions indicates that they can host topological magnetic vortices such as meron pairs.

36 MATERIALS SCIENCE↗
NASA NTRS1973

TRW plasma wave experiment for the IMP-H mission

The IMP-H plasma wave experiment is designed to extend knowledge of wave-particle interactions in the disturbed cislunar region, the distant geomagnetic tail, the upstream solar wind, and the flanks of the magnetosheath-shock interface. It is expected to identify plasma instabilities, study particle acceleration and heating at collisionless shocks and other discontinuities, analyze turbulent conductivity and field line merging, and provide new information on dissipation processes for suprathermal particles. Instrumentation for the plasma wave experiment is designed to measure local electric and magnetic field oscillations over the frequency range 10 Hz to 100 kHz. A 24 inch electric dipole, a 7 inch diameter air core search coil, and the associated preamplifiers are mounted on a spacecraft counterweight boom. The frequency range of 10 Hz to 100 kHz for both E and B is processed using an eight-channel spectrum analyzer located in the instrument main-body package (a standard IMP trapezoidal module, 3 inches high). Electric fields as small as 10-100 microvolts/meter and magnetic signals as small as 1-3 milligamma will be detected.

Virobik, P. F.↗
DOE OSTI2026

Emission in closely packed Eu (TTA) 3 (DPT) and opportunities for magnetic dipole enhancement

Ultra-thin Langmuir-Blodgett films of amphiphilic complex EuTTA (DPT) with tri-valent Eu ions are highly luminescent even when deposited directly on metal. Emission kinetics obtained in bulk samples and Langmuir-Blodgett films are very different for dense and diluted systems. Here, the experiments indicate a collective emitter behavior in dense systems, which is also sensitive to metal or dielectric environments. In another experiment, using metal-emitter layer-metal structures with EuTTA(DPT) we observe significant modifications of the emission line shapes and a dramatic change in magnetic-to-electric dipole branching ratio with 10-fold relative enhancement of magnetic dipole emission.

Luminescence↗
DOE OSTI2021

Freestanding Ferroelectric Bubble Domains

Bubble-like domains, typically a precursor to the electrical skyrmions, arise in ultrathin complex oxide ferroelectric-dielectric-ferroelectric heterostructures epitaxially clamped with flat substrates. Here, it is reported that these specially ordered electric dipoles can also be retained in a freestanding state despite the presence of inhomogeneously distributed structural ripples. By probing local piezo and capacitive responses and using atomistic simulations, this study analyzes these ripples, sheds light on how the bubbles are stabilized in the modified electromechanical energy landscape, and discusses the difference in morphology between bubbles in freestanding and as-grown states. Furthermore, these results are anticipated to be the starting point of a new paradigm for the exploration of electric skyrmions with arbitrary boundaries and physically flexible topological orders in ferroelectric curvilinear space.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Calculated dipole moment and energy in collision of a hydrogen molecule and a hydrogen atom

Calculations were carried out using three Slater-type 1s orbitals in the orthogonalized valencebond theory of McWeeny. Each orbital exponent was optimized, the H2 internuclear distance was varied from 7.416 x 10 to the -11th power to 7.673 x 10 to the -11th power m (1.401 to 1.450 bohrs). The intermolecular distance was varied from 1 to 4 bohrs (0.5292 to 2.117 x 10 to the 10th power). Linear, scalene, and isosceles configurations were used. A weighted average of the interaction energies was taken for each intermolecular distance. Although energies are tabulated, the principal purpose was to calculate the electric dipole moment and its derivative with respect to H2 internuclear distance.

Patch, R. W.↗
NASA NTRS2017

Electric Potential and Electric Field Imaging with Dynamic Applications & Extensions

The technology and methods for remote quantitative imaging of electrostatic potentials and electrostatic fields in and around objects and in free space is presented. Electric field imaging (EFI) technology may be applied to characterize intrinsic or existing electric potentials and electric fields, or an externally generated electrostatic field made be used for volumes to be inspected with EFI. The baseline sensor technology (e-Sensor) and its construction, optional electric field generation (quasi-static generator), and current e- Sensor enhancements (ephemeral e-Sensor) are discussed. Critical design elements of current linear and real-time two-dimensional (2D) measurement systems are highlighted, and the development of a three dimensional (3D) EFI system is presented. Demonstrations for structural, electronic, human, and memory applications are shown. Recent work demonstrates that phonons may be used to create and annihilate electric dipoles within structures. Phonon induced dipoles are ephemeral and their polarization, strength, and location may be quantitatively characterized by EFI providing a new subsurface Phonon-EFI imaging technology. Results from real-time imaging of combustion and ion flow, and their measurement complications, will be discussed. Extensions to environment, Space and subterranean applications will be presented, and initial results for quantitative characterizing material properties are shown. A wearable EFI system has been developed by using fundamental EFI concepts. These new EFI capabilities are demonstrated to characterize electric charge distribution creating a new field of study embracing areas of interest including electrostatic discharge (ESD) mitigation, manufacturing quality control, crime scene forensics, design and materials selection for advanced sensors, combustion science, on-orbit space potential, container inspection, remote characterization of electronic circuits and level of activation, dielectric morphology of structures, tether integrity, organic molecular memory, atmospheric science, weather prediction, earth quake prediction, and medical diagnostic and treatment efficacy applications such as cardiac polarization wave propagation and electromyography imaging.

Generazio, Ed↗
NASA NTRS1994

Cone structure and focusing of VLF and LF electromagnetic waves at high altitudes in the ionosphere

The frequency and angle dependencies of the electric field radiated by an electric dipole E = E(sub 0) cos omega(t) are studied through numerical calculations of absolute value of E in the VLF and LF frequency bands where F is less than or equal 0.02 to 0.05 f(sub b) in a model ionosphere over an altitude region of 800-6000 km where the wave frequency and electron gyrofrequency varies between F approximately 4-500 kHz and f(sub b) is approximately equal (1.1 to 0.2) MHz respectively. It is found that the amplitudes of the electric field have large maxima in four regions: close to the direction of the Earth magnetic field line B(sub 0) (it is called the axis field E(sub 0), in the Storey E(sub St), reversed Storey E(sub RevSt), and resonance E(sub Res) cones. The maximal values of E(sub 0), E(sub Res), and E(sub RevSt) are the most pronounced close to the lower hybrid frequency, F approximately F(sub L). The flux of the electric field is concentrated in very narrow regions, with the apex angles of the cones Delta-B is approximately (0.1-1) deg. The enhancement and focusing of the electric field increases with altitude starting at Z greater than 800 km. At Z greater than or equal to 1000 up to 6000 km, the relative value of absolute value of E, in comparison with its value at Z = 800 km is about (10(exp 2) to 10(exp 4)) times larger. Thus the flux of VLF and LF electromagnetic waves generated at high altitudes in the Earth's ionosphere are trapped into very narrow conical beams similar to laser beams.

Alpert, Ya. L.↗
DOE OSTI2025

Data-driven analysis of dipole strength functions using artificial neural networks

Here, we present a data-driven analysis of dipole strength functions across the nuclear chart, employing an artificial neural network to model nuclear dipole responses. We train the network on a dataset of experimentally measured dipole strength functions for 216 different nuclei. To assess its predictive capability, we test the trained model on an additional set of 10 new nuclei, where experimental data exist. We demonstrate that the artificial neural network not only accurately reproduces known data but also identifies potential inconsistencies in experimental datasets, indicating which results may warrant further review or possible rejection. For nuclei where experimental data are sparse or unavailable, the network confirms theoretical calculations, reinforcing its utility as a predictive tool in nuclear physics. Finally, utilizing the predicted electric dipole polarizability, we extract the value of the symmetry energy at saturation density and find it consistent with results from the literature.

artificial neural networks↗
NASA NTRS1993

The cone structure and focusing of the electric field of VLF and LF waves at high altitudes of the ionosphere

This paper presents a short review of the frequency and angle dependencies of the electric field radiated by an electric dipole E = E(sub 0)cos(omega)t in a magnetoplasma and detailed results of numerical calculations of (E) in the VLF and LF frequency bands 0.02f(sub b) is less than or equal to F is less than or equal to 0.5f(sub b) in the ionosphere and magnetosphere in the altitude region Z = (800 - 6000) km (F is approximately (4 - 500) kHz and f(sub b) is approximately equal to (1.1 to 0.2) MHz is the electron gyro-frequency). The amplitudes of the electric field have large maxima in four regions: close to the direction of the Earth magnetic field line B(sub 0) (it is the so called Axis field E(sub 0); in the Storey E(sub St); Reversed Storey E(sub RevSt); and Resonance E(sub Res) Cones. The maximal values of E(sub 0), E(sub Res), and E(sub Rev ST) are the most pronounced close to the low hybrid frequency, F is approximately F(sub L). The flux of the electric field is concentrated in very narrow regions, with the apexes angles of the cones delta(beta) is approximately (0.1 - 1) degree. The enhancement and focusing of the electric field increases with altitude starting at Z is greater than 800 km. At Z is greater than or equal to 1000 up to 6000 km, the relative value of E, in comparison with its value at Z equals 800 km is about (10(exp 2) to 10(exp 10)) times larger. Thus, the flux of VLF and LF electromagnetic waves in the Earth magnetoplasma produces and is guided by very narrow pencil beams, similar, let us say, to laser beams.

Alpert, Y. L.↗
DOE OSTI2021

Beyond the Anderson rule: importance of interfacial dipole and hybridization in van der Waals heterostructures

Vertical stacking of two-dimensional materials with weak van der Waals (vdW) interactions has laid the ground for breakthroughs in physics as well as in technological applications. Although vdW interactions dominate interlayer binding, interlayer electronic coupling may not be negligible and can lead to properties beyond the superposition of constituent monolayers. Here, studying heterobilayers of transition-metal dichalcogenides (MQ 2 ; M = Mo, Ni, Pt; Q = S, Se) by means of density functional theory calculations, we show two mechanisms that influence the band gaps of vdW heterostructures beyond the Anderson rule: (1) interfacial hybridization (mainly involving out-of-plane states, such as chalcogen p z -states), which leads to an upshift in the valence band maxima and accordingly a decrease in the band gap. (2) Formation of an interfacial electric dipole, resulting in an effective gap increase in type-II junctions. While the former is material specific, depending on the proximity of p z -states to each other and the valence band maxima, the latter can be generally described using a model based on the charge density decay outside the monolayers and the pristine band edge positions with respect to the vacuum level, irrespective of junction type.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Investigation of the structure of the electromagnetic field and related phenomena, generated by the active satellite

A short review is given for the general frequency and angle distribution of the electric field radiated by an electric dipole E = E(sub 0)cos(omega)t, in a magnetoplasma. Detailed results of numerical calculations of (E) were made in the Very Low Frequency (VLF) and the Low Frequency (LF) bands 0.02f(sub b) is less than or equal to F is less than or equal to 0.5f(sub b) (F is approximately (4-500) kHz) in the ionosphere and magnetosphere in the altitude region Z = (800-6000) km; f(sub b) is the electron gyro-frequency of the plasmas in the discussed region f(sub b) is approximately equal to (1.1 to 0.2) MHz. The amplitudes of the electric field have large maxima in four regions: close to the direction of the Earth's magnetic field line (B(sub 0)), it is the so called Axis field (E(sub 0)) and in the Storey (E(sub St)), Reversed Storey (E(sub RevSt)), and Resonance (E(sub Res)) Cones. The maximal values of E(sub 0), E(sub Res), and E(sub RevSt) are very pronounced close to the low hybrid frequency, F approximately F(sub L). The flux of the electric field is concentrated in very narrow regions, the apex angles of the cones delta(beta) is approximately equal to (0.1 - 1) degree. The enhancement and focusing of the electric field is growing up, especially quickly at Z greater than 800 km. At Z is greater than 1000 up to 6000 km, the relative value of (E), in comparison with its value at Z = 800 km is about (10(exp 2) to 10(exp 4)) times larger. Thus, the flux of VLF and LF electromagnetic waves in the Earth magnetoplasma produces and is guided by very narrow pencil beams, similar, let us say, to laser beams.

Alpert, Yakov L.↗
DOE OSTI2020

Implications of the Upper Bound on h → μ + μ - on the Baryon Asymmetry of the Universe

The upper bounds from the ATLAS and CMS experiments on the decay rate of the Higgs boson to two muons provide the strongest constraint on an imaginary part of the muon Yukawa coupling. This bound is more than an order of magnitude stronger than bounds from $\mathcal{CP}$-violating observables, specifically the electric dipole moment of the electron. It excludes a scenario $-$ which had been viable prior to these measurements $-$ that a complex muon Yukawa coupling is the dominant source of the baryon asymmetry. Even with this bound, the muon source can still contribute ${\cal O}(16\%)$ of the asymmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Dynamical Bond Formation in KNi 2 Se 2

Emphanisis, or the appearance out of nothing, has been used to describe the phenomena of spontaneous atom off-centering and dipole formation at elevated temperatures in lead chalcogenides. Here, we provide spectroscopic evidence of spontaneous formation of metal-metal bonds above T~50 K in the layered metal KNi 2 Se 2 . These bonds form zig-zag chains that lower the local symmetry from tetragonal to monoclinic. Energy-resolved pair distribution function measurements exclude a pure phonon origin of our observations, and instead imply the existence of extra, slowly fluctuating, Ni-Ni bonds above T=50 K. Density functional theory calculations support this lower symmetry configuration as an instability of tetragonal KNi 2 Se 2 . We thus demonstrate that the phenomena of emphansis is not limited to local electric dipole formation, but can also be driven by the formation of metal-metal bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Automated seed manipulation and planting

The Mechanical Division fabricated three seed separators utilizing pressure gradients to move and separate wheat seeds. These separators are called minnow buckets and use air, water, or a combination of both to generate the pressure gradient. Electrostatic fields were employed in the seed separator constructed by the Electrical Division. This separator operates by forcing a temporary electric dipole on the wheat seeds and using charged electrodes to attract and move the seeds. Seed delivery to the hydroponic growth tray is accomplished by the seed cassette. The cassette is compatible with all the seed separators, and it consists of a plastic tube threaded with millipore filter paper. During planting operations, the seeds are placed in an empty cassette. The loaded cassette is then placed in the growth tray and nutrient solution provided. The solution wets the filter paper and capillary action draws the nutrients up to feed the seeds. These seeding systems were tested and showed encouraging results. Seeds were effectively separated and the cassette can support the growth of wheat plants. Problems remaining to be investigated include improving the success of delivering the seeds to the cassette and providing adequate spacing between seeds for the electric separator.

Garcia, Ray↗
DOE OSTI2022

Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

The high computational scaling with the basis set size and the number of correlated electrons is a bottleneck limiting applications of coupled cluster algorithms, in particular for calculations based on two- or four-component relativistic Hamiltonians, which often employ uncontracted basis sets. This problem may be alleviated by replacing canonical Hartree–Fock virtual orbitals by natural orbitals (NOs). Here, in this paper, we describe the implementation of a module for generating NOs for correlated wavefunctions and, in particular, second order Møller–Plesset perturbation frozen natural orbitals (MP2FNOs) as a component of our novel implementation of relativistic coupled cluster theory for massively parallel architectures [Pototschnig et al. J. Chem. Theory Comput. 17, 5509, (2021)]. Our implementation can manipulate complex or quaternion density matrices, thus allowing for the generation of both Kramers-restricted and Kramers-unrestricted MP2FNOs. Furthermore, NOs are re-expressed in the parent atomic orbital (AO) basis, allowing for generating coupled cluster singles and doubles NOs in the AO basis for further analysis. By investigating the truncation errors of MP2FNOs for both the correlation energy and molecular properties—electric field gradients at the nuclei, electric dipole and quadrupole moments for hydrogen halides HX (X = F–Ts), and parity-violating energy differences for H 2 Z 2 (Z = O–Se)—we find MP2FNOs accelerate the convergence of the correlation energy in a roughly uniform manner across the Periodic Table. It is possible to obtain reliable estimates for both energies and the molecular properties considered with virtual molecular orbital spaces truncated to about half the size of the full spaces.

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

The structure of low-lying 1 - states in 90,94 Zr from (α,α'γ) and (p,p'γ) reactions

The low-lying dipole strength in the 90,94 Zr nuclei was investigated via (ρ,ρ'γ) at 80 MeV and (α, α', γ) at 130 MeV. The experiments, made at RCNP, used the magnetic spectrometer Grand Raiden for the scattered particles and the array CAGRA with HPGe detectors for the γ-decay. For 94 Zr these are the first data for both reactions and for 90 Zr these are the first data with (ρ,ρ'γ) and the first ones at high resolution for (α, α', γ). The comparison of the present results for the two nuclei with existing (γ, γ') data shows that both nuclear probes produce an excitation pattern different than that of the electromagnetic probes. DWBA calculations were made using form factors deduced from transition densities, based on RPA calculations, characterized by a strong neutron component at the nuclear surface. A combined analysis of the two reactions was performed for the first time to investigate the isoscalar character of the 1 - states in 90,94 Zr. The (ρ,ρ'γ) cross section was calculated using values for the isoscalar electric dipole energy-weighted sum rule (E1 ISEWSR) obtained from the (α, α', γ) data. The isoscalar strength for 90 Zr was found to exhaust 20 ± 2.5% of the EWSR in the energy range up to 12 MeV. In case of 94 Zr, a strength of 9 ± 1.1% of the EWSR was found in the range up to 8.5 MeV. Although an overall general description was obtained in the studied energy intervals, not all proton cross sections were well reproduced using the isoscalar strength from (α, α', γ). This might suggest mixing of isoscalar and isovector components and that this mixing and the degree of collectivity are not the same for all the 1 - states below the particle binding energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model

We present a fully analytic approach to calculate infrared (IR) and Raman spectra of molecules embedded in complex molecular environments modeled using the fragment-based polarizable embedding (PE) model. We provide the theory for the calculation of analytic second-order geometric derivatives of molecular energies and first-order geometric derivatives of electric dipole moments and dipole–dipole polarizabilities within the PE model. The derivatives are implemented using a general open-ended response theory framework, thus allowing for an extension to higher-order derivatives. The embedding-potential parameters used to describe the environment in the PE model are derived through first-principles calculations, thus allowing a wide variety of systems to be modeled, including solvents, proteins, and other large and complex molecular environments. Here, we present proof-of-principle calculations of IR and Raman spectra of acetone in different solvents. This work is an important step toward calculating accurate vibrational spectra of molecules embedded in realistic environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗