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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Quality factor assessment of finite-size all-dielectric metasurfaces at the magnetic dipole resonance

Recently there has been a large interest in achieving metasurface resonances with large quality factors. In this article, we examine metasurfaces that comprised a finite number of magnetic dipoles oriented parallel or orthogonal to the plane of the metasurface and determine analytic formulas for their resonances’ quality factors. These conditions are experimentally achievable in finite-size metasurfaces made of dielectric cubic resonators at the magnetic dipole resonance. Our results show that finite metasurfaces made of parallel (to the plane) magnetic dipoles exhibit low quality factor resonances with a quality factor that is independent of the number of resonators. More importantly, finite metasurfaces made of orthogonal (to the plane) magnetic dipoles lead to resonances with large quality factors, which ultimately depend on the number of resonators comprising the metasurface. In particular, by properly modulating the array of dipole moments by having a distribution of resonator polarizabilities, one can potentially increase the quality factor of metasurface resonances even further. These results provide design guidelines to achieve a sought quality factor applicable to any resonator geometry for the development of new devices such as photodetectors, modulators, and sensors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Dihadron azimuthal asymmetry and light-quark dipole moments at the Electron-Ion Collider

Here, we propose a novel method to probe light-quark dipole moments by examining the azimuthal asymmetries between a collinear pair of hadrons in semi-inclusive deep inelastic lepton scattering off an unpolarized proton target at the Electron-Ion Collider. These asymmetries provide a means to observe transversely polarized quarks, which arise exclusively from the interference between the dipole and the Standard Model interactions, thereby depending linearly on the dipole couplings. We demonstrate that this novel approach can enhance current constraints on light-quark dipole operators by an order of magnitude, free from contamination of other new physics effects. Furthermore, it allows for a simultaneous determination of both the real and imaginary parts of the dipole couplings, offering a new avenue for investigating potential CP-violating effects at high energies.

dihadron fragmentation↗
DOE OSTI2014

Far-field Fano resonance in nanoring lattices modeled from extracted, point dipole polarizability

Coupling and extinction of light among particles representable as point dipoles can be characterized using the coupled dipole approximation (CDA). The analytic form for dipole polarizability of spheroidal particles supports rapid electrodynamic analysis of nanoparticle lattices using CDA. However, computational expense increases for complex shapes with non-analytical polarizabilities which require discrete dipole (DDA) or higher order approximations. This work shows fast CDA analysis of assembled nanorings is possible using a single dipole nanoring polarizability extrapolated from a DDA calculation by summing contributions from individual polarizable volume elements. Plasmon resonance wavelengths of nanorings obtained using extracted polarizabilities blueshift as wall dimensions-to-inner radius aspect ratio increases, consistent with published theory and experiment. Calculated far-field Fano resonance energy maximum and minimum wavelengths were within 1% of full volume element results. Considering polarizability allows a more complete physical picture of predicting plasmon resonance location than metal dielectric alone. This method reduces time required for calculation of diffractive coupling more than 40 000-fold in ordered nanoring systems for 400–1400 nm incident wavelengths. Extension of this technique beyond nanorings is possible for more complex shapes that exhibit dipolar or quadrupole radiation patterns.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Decay dynamics of nascent acetonitrile and nitromethane dipole-bound anions produced by intracluster charge-transfer

Decay dynamics of nascent dipole bound states of acetonitrile and nitromethane are examined using time-resolved photoelectron imaging of iodide-acetonitrile (I{sup −}·CH{sub 3}CN) and iodide-nitromethane (I{sup −}·CH{sub 3}NO{sub 2}) complexes. Dipole-bound anions are created by UV-initiated electron transfer to the molecule of interest from the associated iodide ion at energies just below the vertical detachment energy of the halide-molecule complex. The acetonitrile anion is observed to decay biexponentially with time constants in the range of 4–900 ps. In contrast, the dipole bound state of nitromethane decays rapidly over 400 fs to form the valence bound anion. The nitromethane valence anion species then decays biexponentially with time constants of 2 ps and 1200 ps. The biexponential decay dynamics in acetonitrile are interpreted as iodine atom loss and autodetachment from the excited dipole-bound anion, followed by slower autodetachment of the relaxed metastable ion, while the dynamics of the nitromethane system suggest that a dipole-bound anion to valence anion transition proceeds via intramolecular vibrational energy redistribution to nitro group modes in the vicinity of the iodine atom.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Local electric dipole moments for periodic systems via density functional theory embedding

We describe a novel approach for the calculation of local electric dipole moments for periodic systems. Since the position operator is ill-defined in periodic systems, maximally localized Wannier functions based on the Berry-phase approach are usually employed for the evaluation of local contributions to the total electric dipole moment of the system. We propose an alternative approach: within a subsystem-density functional theory based embedding scheme, subset electric dipole moments are derived without any additional localization procedure, both for hybrid and non-hybrid exchange–correlation functionals. This opens the way to a computationally efficient evaluation of local electric dipole moments in (molecular) periodic systems as well as their rigorous splitting into atomic electric dipole moments. As examples, Infrared spectra of liquid ethylene carbonate and dimethyl carbonate are presented, which are commonly employed as solvents in Lithium ion batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Communication: Observation of dipole-bound state and high-resolution photoelectron imaging of cold acetate anions

We report the observation of a dipole-bound state and a high-resolution photoelectron imaging study of cryogenically cooled acetate anions (CH{sub 3}COO{sup −}). Both high-resolution non-resonant and resonant photoelectron spectra via the dipole-bound state of CH{sub 3}COO{sup −} are obtained. The binding energy of the dipole-bound state relative to the detachment threshold is determined to be 53 ± 8 cm{sup −1}. The electron affinity of the CH{sub 3}COO neutral radical is measured accurately as 26 236 ± 8 cm{sup −1} (3.2528 ± 0.0010 eV) using high-resolution photoelectron imaging. This accurate electron affinity is validated by observation of autodetachment from two vibrational levels of the dipole-bound state of CH{sub 3}COO{sup −}. Excitation spectra to the dipole-bound states yield rotational profiles, allowing the rotational temperature of the trapped CH{sub 3}COO{sup −} anions to be evaluated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Matched dipole probe for magnetized low electron density laboratory plasma diagnostics

In this paper, a diagnostic method for magnetized and unmagnetized laboratory plasma is proposed, based on impedance measurements of a short matched dipole. The range of the measured electron densities is limited to low density plasmas (10{sup 12}–10{sup 15 }m{sup −3}), where other diagnostic methods have strong limitations on the magnetic field strength and topology, plasma dimensions, and boundary conditions. The method is designed for use in both large- and small-dimension plasma (<10 cm) without or with strong non-homogeneous magnetic field, which can be undefined within the probe size. The design of a matched dipole probe allows to suppress the sheath resonance effects and to reach high sensitivity at relatively small probe dimensions. Validation experiments are conducted in both magnetized (B ∼ 170 G) and unmagnetized (B = 0) low density (7 × 10{sup 12 }m{sup −3}–7 × 10{sup 13 }m{sup −3}) low pressure (1 mTorr) 10 cm scale plasmas. The experimentally measured data show very good agreement with an analytical theory both for a non-magnetized and a magnetized case. The electron density measured by the matched dipole and Langmuir probes in the range of 7 × 10{sup 12 }m{sup −3}–7 × 10{sup 13 }m{sup −3} show less than 30% difference. An experimentally measured tolerance/uncertainty of the dipole probe method is estimated to ±1% for plasma densities above 2 × 10{sup 13 }m{sup −3}. A spatial resolution is estimated from the experiments to be about 3d, where d is the dipole diameter. The diagnostic method is also validated by comparing the measured plasma impedance curves with results of analytical modelling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Contactless analysis of electric dipoles at high-k/SiO{sub 2} interfaces by surface-charge-switched electron spectroscopy

The continuous development of silicon devices has been supported by fundamental understanding of the two interfaces that predict the device properties: high-dielectric oxide (high-k)/SiO{sub 2} and SiO{sub 2}/Si. In the absence of metal electrode fabrication, it is challenging to use spectroscopic approaches to deduce the electric dipoles in these interfaces for the prediction of electrical characteristics such as the leakage current and threshold voltage. Here, we propose a method to analyze the permanent dipole at the high-k/SiO{sub 2} interface by surface-charge-switched electron spectroscopy (SuCSES). An electron flood gun was used to switch the electrical polarity at the insulating surface to extract the interface-dipole contribution from the macroscopic dielectric polarization in the high-k/SiO{sub 2}/Si stack structure. TaO{sub 3}{sup −} nanosheet (TaNS) crystallites, which are a family of high-k tantalate materials deposited on the SiO{sub 2}/Si substrates, were annealed to prepare a nanoscale model interface. The properties of this interface were examined as a function of annealing temperature across the crystalline-to-amorphous transition. Macroscopic dielectric polarization of the TaNS/SiO{sub 2}/Si gate stack was found to exhibit a gradual decay that depended upon the quantum tunneling processes of induced carriers at the SiO{sub 2}/Si interface. Additionally, the dipole at the high-k/thin-SiO{sub 2} interface abruptly changed by ∼0.4 eV before and after annealing at 400 °C, which may be the result of a decrease in conduction-band offsets at the high-k/Si interface. Thus, SuCSES can aid in determining the inherent valence-band offsets in dielectric interfaces by using X-ray photoelectron spectroscopy with high accuracy and precision. Furthermore, SuCSES can determine whether dielectric polarization, including the interfacial dipole, affects the experimental value of the band offsets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Effect of dipole blockade on the laser excitation spectra of mesoscopic ensembles of cold Rydberg atoms

The results of theoretical calculations of the multiatom laser excitation spectra of Rydberg atoms under conditions of a dipole blockade are presented, and the effect of the laser radiation line width and the interaction energy of Rydberg atoms on the dipole blockade completeness degree is discussed. It is shown that in order to increase the fidelity of performing quantum gates based on a dipole blockade, it is necessary to use resonance dipole − dipole interaction and exciting laser radiation with a line width smaller than 10 kHz. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Constraining the neutrino magnetic dipole moment from white dwarf pulsations

Pulsating white dwarf stars can be used as astrophysical laboratories to constrain the properties of weakly interacting particles. Comparing the cooling rates of these stars with the expected values from theoretical models allows us to search for additional sources of cooling due to the emission of axions, neutralinos, or neutrinos with magnetic dipole moment. In this work, we derive an upper bound to the neutrino magnetic dipole moment (μ{sub ν}) using an estimate of the rate of period change of the pulsating DB white dwarf star PG 1351+489. We employ state-of-the-art evolutionary and pulsational codes which allow us to perform a detailed asteroseismological period fit based on fully DB white dwarf evolutionary sequences. Plasmon neutrino emission is the dominant cooling mechanism for this class of hot pulsating white dwarfs, and so it is the main contributor to the rate of change of period with time (Pidot) for the DBV class. Thus, the inclusion of an anomalous neutrino emission through a non-vanishing magnetic dipole moment in these sequences notably influences the evolutionary timescales, and also the expected pulsational properties of the DBV stars. By comparing the theoretical Pidot value with the rate of change of period with time of PG 1351+489, we assess the possible existence of additional cooling by neutrinos with magnetic dipole moment. Our models suggest the existence of some additional cooling in this pulsating DB white dwarf, consistent with a non-zero magnetic dipole moment with an upper limit of μ{sub ν} ∼< 10{sup -11} μ{sub B}. This bound is somewhat less restrictive than, but still compatible with, other limits inferred from the white dwarf luminosity function or from the color-magnitude diagram of the Globular cluster M5. Further improvements of the measurement of the rate of period change of the dominant pulsation mode of PG 1351+489 will be necessary to confirm our bound.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Quantum Control Landscapes Beyond the Dipole Approximation: Controllability, Singular Controls, and Resources

We investigate the control landscapes of closed n-level quantum systems beyond the dipole approximation by including a polarizability term in the Hamiltonian. The latter term is quadratic in the control field. Theoretical analysis of singular controls is presented, which are candidates for producing landscape traps. The results for considering the presence of singular controls are compared to their counterparts in the dipole approximation (i.e., without polarizability). A numerical analysis of the existence of traps in control landscapes for generating unitary transformations beyond the dipole approximation is made upon including the polarizability term. An extensive exploration of these control landscapes is achieved by creating many random Hamiltonians which include terms linear and quadratic in a single control field. The discovered singular controls are all found not to be local optima. This result extends a great body of recent work on typical landscapes of quantum systems where the dipole approximation is made. We further investigate the relationship between the magnitude of the polarizability and the fluence of the control resulting from optimization. It is also shown that including a polarizability term in an otherwise uncontrollable dipole coupled system removes traps from the corresponding control landscape by restoring controllability. We numerically assess the effect of a polarizability term on a known example of a particular three-level Λ-system with a second order trap in its control landscape. It is found that the addition of the polarizability removes the trap from the landscape. The general practical control implications of these simulations are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

The Dipole Magnetic Field and Spin-down Evolutions of the High Braking Index Pulsar PSR J1640–4631

In this work, we interpreted the high braking index of PSR J1640−4631 with a combination of the magneto-dipole radiation and dipole magnetic field decay models. By introducing a mean rotation energy conversion coefficient ζ-bar , the ratio of the total high-energy photon energy to the total rotation energy loss in the whole life of the pulsar, and combining the pulsar’s high-energy and timing observations with a reliable nuclear equation of state, we estimate the pulsar’s initial spin period, P{sub 0}∼(17--44) ms, corresponding to the moment of inertia I∼(0.8--2.1)×10{sup 45} g cm{sup 2}. Assuming that PSR J1640−4631 has experienced a long-term exponential decay of the dipole magnetic field, we calculate the true age t{sub age}, the effective magnetic field decay timescale τ{sub D}, and the initial surface dipole magnetic field at the pole B{sub p}(0) of the pulsar to be 2900−3100 yr, 1.07(2)×10{sup 5} yr, and (1.84--4.20)×10{sup 13} G, respectively. The measured braking index of n=3.15(3) for PSR J1640−4631 is attributed to its long-term dipole magnetic field decay and a low magnetic field decay rate, dB{sub p}/dt∼−(1.66--3.85)×10{sup 8} G yr{sup −1}. Our model can be applied to both the high braking index (n>3) and low braking index (n<3) pulsars, tested by the future polarization, timing, and high-energy observations of PSR J1640−4631.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Lepton electric and magnetic dipole moments via lepton flavor-violating spin-1 unparticle interactions

The magnetic dipole moment and the electric dipole moment of leptons are calculated under the assumption of lepton flavor violation (LFV) induced by spin-1 unparticles with both vector and axial-vector couplings to leptons, including a CP-violating phase. The experimental limits on the muon magnetic dipole moment and LFV process, such as the decay l{sub i}{sup -}{yields}l{sub j}{sup -}l{sub k}{sup -}l{sub k}{sup +}, are then used to constrain the LFV couplings for particular values of the unparticle operator dimension d{sub U} and the unparticle scale {Lambda}{sub U}, assuming that LFV transitions between the tau and muon leptons are dominant. It is found that the current experimental constraints favor a scenario with dominance of the vector couplings over the axial-vector couplings. We also obtain estimates for the electric dipole moments of the electron and the muon, which are well below the experimental values.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

In Situ Exploration of Dipole Field Effects on Weak Hysteresis in 3D/2D Perovskites

This research delves into the effects of 2D layers on the functionality of 3D perovskite using lock-in amplifier-based in situ surface photovoltage (SPV) and its phase spectroscopy, with an emphasis on elucidating the connection between the tuning of dipole moments and the photocurrent hysteresis. Conventionally, the SPV of a perovskite/hole transport layer is observed to diminish as positive bias escalates. However, this trend is reversed in the case of 3D perovskite samples, where an augmentation in SPV is noted under positive bias. Notably, 3D/2D perovskite structures initially show a decrease, then an increase in SPV as bias intensifies, a phenomenon more pronounced with larger dipole moments in 2D. However, there is no linear relationship between the dipole moment and the hysteresis factor. Furthermore, using in situ light-chopping-frequency-modulated SPV and Kelvin Probe Force Microscopy, it is revealed that the dipole fields of 2D layers can hinder ion migration. This leads to efficient hole transfer and minimal photocurrent hysteresis in 3D/2D perovskites, providing strong evidence for the underlying cause of hysteresis. Additionally, these findings suggest intricate interplays among the external electric field, interface dipole moments, and surface photovoltaics, offering significant insights into perovskite optoelectronics.

3D/2D perovskite↗
DOE OSTI2018

How Accurate Is Density Functional Theory at Predicting Dipole Moments? An Assessment Using a New Database of 200 Benchmark Values

We present that dipole moments are a simple, global measure of the accuracy of the electron density of a polar molecule. Dipole moments also affect the interactions of a molecule with other molecules as well as electric fields. To directly assess the accuracy of modern density functionals for calculating dipole moments, we have developed a database of 200 benchmark dipole moments, using coupled cluster theory through triple excitations, extrapolated to the complete basis set limit. This new database is used to assess the performance of 88 popular or recently developed density functionals. The results suggest that double hybrid functionals perform the best, yielding dipole moments within about 3.6-4.5% regularized RMS error versus the reference values - which is not very different from the 4% regularized RMS error produced by coupled cluster singles and doubles. Many hybrid functionals also perform quite well, generating regularized RMS errors in the 5-6% range. Lastly, some functionals, however, exhibit large outliers, and local functionals in general perform less well than hybrids or double hybrids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Anisotropic Photoluminescence from Isotropic Optical Transition Dipoles in Semiconductor Nanoplatelets

Many important light-matter coupling and energy-transfer processes depend critically on the dimensionality and orientation of optical transition dipoles in emitters. We investigate individual quasi-two-dimensional nanoplatelets (NPLs) using higher-order laser scanning microscopy and find that absorption dipoles in NPLs are isotropic in three dimensions at the excitation wavelength. Correlated polarization studies of the NPLs reveal that their emission polarization is strongly dependent on the aspect ratio of the lateral dimensions. Our simulations reveal that this emission anisotropy can be readily explained by the electric held renormalization ettect caused by the dielectric contrast between the NPLs and the surrounding medium, and we conclude that emission dipoles in NPLs are isotropic in the plane of the NPLs. Our study presents an approach for disentangling the effects of dipole degeneracy and electric field renormalization on emission anisotropy and can be adapted for studying the intrinsic optical transition dipoles of various nanostructures.

Ma, Xuedan↗
DOE OSTI2023

Dipole ladders with large Hubbard interaction in a moiré exciton lattice

Two-dimensional semiconductor moiré superlattices have emerged as a powerful platform for engineering correlated electronic phenomena. On the other hand, optical excitation creates charge neutral interlayer excitons with an out-of-plane electric dipole. Strong onsite dipole–dipole interaction promises the formation of correlated bosonic states, akin to the Mott states of electrons, but has not yet been demonstrated. Here we report a large interaction between excitons occupying the same moiré lattice site—characterized by the Hubbard U parameter—and consequent dipole ladders with spin- and electron-filling dependence in WSe 2 /WS 2 moiré superlattices. Photoluminescence measurements show successive peaks emerging with an energy separation of around 34 meV above the ground state as the exciton density is increased. This corresponds to the sequential injection of excitons into a single site with an energy cost to overcome the large exciton Hubbard U, forming a dipole ladder. Based on findings of local magnetic moments at two holes per moiré cell, we show that excitons can also fill a second moiré orbital, establishing the two-orbital nature of the moiré potential landscape. Our results show that the Bose–Hubbard model with possible exciton crystal phases can be investigated in interacting opto-moiré quantum matter.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Uncovering anisotropic effects of electric high-moment dipoles on the tunneling current in $$\delta$$-layer tunnel junctions

Abstract The precise positioning of dopants in semiconductors using scanning tunneling microscopes has led to the development of planar dopant-based devices, also known as $$\delta$$ δ layer-based devices, facilitating the exploration of new concepts in classical and quantum computing. Recently, it has been shown that two distinct conductivity regimes (low- and high-bias regimes) exist in $$\delta$$ δ -layer tunnel junctions due to the presence of quasi-discrete and continuous states in the conduction band of $$\delta$$ δ -layer systems. Furthermore, discrete charged impurities in the tunnel junction region significantly influence the tunneling rates in $$\delta$$ δ -layer tunnel junctions. Here we demonstrate that electrical dipoles, i.e. zero-charge defects, present in the tunnel junction region can also significantly alter the tunneling rate, depending, however, on the specific conductivity regime, and orientation and moment of the dipole. In the low-bias regime, with high-resistance tunneling mode, dipoles of nearly all orientations and moments can alter the current, indicating the extreme sensitivity of the tunneling current to the slightest imperfection in the tunnel gap. In the high-bias regime, with low-resistivity, only dipoles with high moments and oriented in the directions perpendicular to the electron tunneling direction can significantly affect the current, thus making this conductivity regime significantly less prone to the influence of dipole defects with low-moments or oriented in the direction parallel to the tunneling.

42 ENGINEERING↗