SEARCH · Search NASA

Results for “coupled dipole model”

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.

SourceResearch connectionFrom yearThrough year

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

At least 145 records · Page 8

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Emerging Functionality in Transition-Metal Compounds Driven by Spatial Confinement and Broken Symmetry

This research project investigates the emerging functionality in transition-metal-compounds (TMCs) driven by spatial confinement and broken symmetry. It combines advanced growth capabilities with cutting-edge characterization and first principles theory to probe and control the properties of TMC interfaces, including the utilization and development of state-of-the-art atomically resolved electron microscopy and spectroscopy to determine the structure, composition, and bonding at TMC interfaces. The proposed research will focus on four challenging areas: 1) manipulate interfaces to design new material phases such as magnetic metals with unique polar structure (net dipole) to achieve multiple functionality; 2) explore electronic mismatch or screening at interfaces of insulating/poor metal TMCs to produce novel electronic and magnetic properties; 3) elucidate and exploit the role of defects, both point and extended, on the functionality of interfaces; 4) develop advanced electron microscopy/spectroscopy techniques to explore temperature dependent phase transitions and couple these structural tools with new nonlinear optical probes of the electronic structure. The research team aims to close the materials-by-design loop of make, measure, model, and modify. The program promises to enhance our ability to engineer the desired physical properties at interfaces, superlattices (periodic arrays of films of different compounds), and heterostructures of TMCs.

36 MATERIALS SCIENCE↗

NASA NTRS1985

Irregularities in the secular variation and geodynamic implications; Proceedings of the Session, Cincinnati, OH, May 17, 1984

Consideration is given to: variations in the Gauss coefficients of the geomagnetic potential over the last several hundred years; eccentric geomagnetic dipole drift; and evidence for geomagnetic jerks from 1931 to 1971. Among other topics discussed are: models of the geomagnetic field in western Europe from 1960 to 1980; the external and internal parts of the geomagnetic jerk of 1970; secular variation of the magnetic mean energy density at the source layer depth; and motions at the core surface in the geostrophic approximation. Consideration is also given to: the unpredictability of geomagnetic secular variation; the use of short-term core-mantle coupling and geomagnetic variation impulses as Lagrangian tracers of core motions; and a comparison of two sequential geomagnetic polarity transitions in the upper Olduvai and the lower Jarmillio in the Southern Hemisphere.

Taylor, P.↗

DOE OSTI2023

Surface termination control of charge transfer and band alignment across a semiconductor–crystalline-oxide heterojunction

Charge redistribution across heterojunctions has long been utilized to induce functional response in materials systems. Here we examine how the composition of the terminating surface affects charge transfer across a heterojunction consisting of Si and the crystalline complex oxide SrTiO 3 . Itinerant electrons in Si migrate across the interface toward the surface of SrTiO 3 due to surface depletion. The electron transfer in turn creates an electric field across the interface that modifies the interfacial dipole associated with bonding between SrTiO 3 and Si. The modification in the dipole leads to a change in band alignment, in which the conduction band of SrTiO 3 moves from being above the valence band of Si in energy, to below it. By capping the SrTiO 3 surface with ultrathin (≤ 1 nm) layers of BaO, SrO or TiO 2 , charge transfer across the interface can be weakened or inhibited. Ab initio modeling implicates the adsorption of oxygen associated with exposure to ambient conditions as driving the surface depletion in SrTiO 3 . In conclusion, the electronic coupling between the surface and buried interface expands the functionality of semiconductor-crystalline oxide heterojunctions.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Correlated solvent coordinates accelerate multi-donor proton-coupled electron transfer

The rate of charge transfer within a discrete donor–acceptor (D/A) pair is well-described by semi-classical electron transfer theory, but the effects of multiple equivalent redox sites remain less understood. We report a series of ground-state intramolecular proton-coupled electron transfer (PCET) complexes designed to isolate the effects of donor number, N, while holding geometry, coupling, and driving forces constant. The [Ru(L) 3−N (OH) N ] 2+ complexes incorporate one, two, or three identical phenolic electron donors linked to Ru through rigid phenanthroline bridges (OH = 2,4-di-tert-butyl-6-(1-methyl-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol). Upon flash photolysis and oxidative quenching with methyl viologen (MV 2+ ), the transient Ru(III) oxidizes an appended phenol by PCET with the hydrogen-bonded imidazole nitrogen atom functioning as the base. The rate increased by 3.4-fold and 5.7-fold (1.7-fold and 1.9-fold after statistical correction) for two- and three-donor complexes compared to the single-donor system. The supra-statistical acceleration is attributed to a reduced effective outer sphere reorganization energy (λ m ) modeled by a partially shared solvent reaction coordinate, in which a subset of solvent dipoles is already oriented to stabilize charge from any donor. The final phenoxyl radical state is localized due to the transfer of a proton, and the recombination reaction with the viologen radical is not accelerated. These results demonstrate the effects of solvent dynamics on intramolecular PCET rates, offering a new strategy for the design of synthetic charge transfer systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Probing New Hadronic Forces with Heavy Exotic Atoms

We explore the potential of precision spectroscopy of heavy exotic atoms where electrons are substituted by negative hadrons to detect new force carriers with hadronic couplings. The selected transitions are unaffected by nuclear contact terms, thus enabling highly accurate calculations using bound-state QED, provided that the nuclear polarization is under control. Alternatively, we demonstrate that the dipole polarizability, a fundamental property of nuclei, can be extracted from the spectroscopy of exotic atoms in a novel way by combining two transitions while maintaining high sensitivity to new physics. Based on existing data, we extracted world-leading bounds on mediator masses ranging from 0.1 to 10 MeV for two benchmark models and show that forthcoming experiments could enhance the sensitivity to new physics by 2 orders of magnitude.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2019

Escape of Flare-Accelerated Particles in Solar Eruptive Events

Impulsive solar energetic particle events are widely believed to be due to the prompt escape into the interplanetary medium of flare-accelerated particles produced by solar eruptive events. According to the standard model for such events, however, particles accelerated by the flare reconnection should remain trapped in the flux rope comprising the coronal mass ejection. The particles should reach the Earth only much later, along with the bulk ejecta. To resolve this paradox, we have extended our previous axisymmetric model for the escape of flare-accelerated particles to fully three-dimentional (3D) geometries. We report the results of magnetohydrodynamic simluations of a coronal system that consists of a bipolar active region embedded in a background global dipole field structured by solar wind. our simulations show that multiple magnetic reconnection episodes occur prior to and during the coronal mass ejection 9CME) eruption and its interplanetary propagation. In addition to the episodes that build up the flux rope, reconnection between the open field and the CME couples the closed coronal to the open interplanetary field. Flare-accelerated particles initially trapped in the CME thereby gain access to the open interplanetary field along a trail blazed by magnetic reconnection. A key difference between these 3D results and our previous calculations is that the interchange reconnection allows accelerated particles to escape from deep within the CME flux rope. We estimate the spatial extent of the particle-escape channels. The relative timings between flare acceleration and release of the energetic particles through CME/open-field coupling are also determined. All our results compare favorably with observations.

Masson, S.↗

DOE OSTI2023

Why the observed spin evolution of older-than-solar-like stars might not require a dynamo mode change

ABSTRACT The spin evolution of main-sequence stars has long been of interest for basic stellar evolution, stellar ageing, stellar activity, and consequent influence on companion planets. Observations of older-than-solar late-type main-sequence stars have been interpreted to imply that a change from a dipole-dominated magnetic field to one with more prominent higher multipoles might be necessary to account for the data. The spin-down models that lead to this inference are essentially tuned to the Sun. Here, we take a different approach that considers individual stars as fixed points rather than just the Sun. We use a time-dependent theoretical model to solve for the spin evolution of low-mass main-sequence stars that includes a Parker-type wind and a time-evolving magnetic field coupled to the spin. Because the wind is exponentially sensitive to the stellar mass over radius and the coronal base temperature, the use of each observed star as a separate fixed point is more appropriate and, in turn, produces a set of solution curves that produces a solution envelope rather than a simple line. This envelope of solution curves, unlike a single line fit, is consistent with the data and does not unambiguously require a modal transition in the magnetic field to explain it.

Astronomy & Astrophysics↗

NASA NTRS1982

The steady global corona

The formation of the steady coronal structure which consists of coronal streamers and holes is seen in terms of a model employing numerical solutions of time-dependent, dissipationless, magnetohydrodynamic equations of motion applicable to the meridional plane. A coronal streamer consists of closed magnetic field lines near the solar surface with overlying and adjacent open field lines, and the atmosphere, which is stationary in the closed region, flows outward in the open region, or coronal hole. The steady coronal structure is obtained by starting the numerical calculation with a state comprising a polytropic, hydrodynamical solution to the steady-state radial equation of motion coupled with a dipole magnetic field. Global coronal configurations are calculated for values of the plasma beta which vary from 0.1 to 100. It is found that the height and lateral extension of the closed region are only weakly dependent on the data.

Steinolfson, R. S.↗

DOE OSTI2021

Electric dipole moment constraints on CP-violating heavy-quark Yukawas at next-to-leading order

Electric dipole moments are sensitive probes of new phases in the Higgs Yukawa couplings. We calculate the complete two-loop QCD anomalous dimension matrix for the mixing of CP-odd scalar and tensor operators and apply our results for a phenomenological study of CP violation in the bottom and charm Yukawa couplings. We find large shifts of the induced Wilson coefficients at next-to-leading-logarithmic order. Using the experimental bound on the electric dipole moments of the neutron and mercury, we update the constraints on CP-violating phases in the bottom and charm quark Yukawas.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Dark C P violation and gauged lepton or baryon number for electroweak baryogenesis

We explore the generation of the baryon asymmetry in an extension of the standard model where the lepton number is promoted to a U(1)ℓ gauge symmetry with an associated Z' gauge boson. This is based on a novel electroweak baryogenesis mechanism first proposed by us in Ref. Extra fermionic degrees of freedom, including a fermionic dark matter χ, are introduced in the dark sector for anomaly cancellation. The lepton number is spontaneously broken at high scale and the effective theory, containing the standard model, the Z', the fermionic dark matter, and an additional complex scalar field S, violates CP in the dark sector. The complex scalar field couples to the Higgs portal and is essential in enabling a strong first order phase transition. Dark CP violation is diffused in front of the bubble walls and creates a chiral asymmetry for χ, which in turn creates a chemical potential for the standard model leptons. Weak sphalerons are then in charge of transforming the net lepton charge asymmetry into net baryon number. We explore the model phenomenology related to the leptophilic Z', the dark matter candidate, the Higgs boson, and the additional scalar, as well as implications for electric dipole moments. We also discuss the case when baryon number U(1)B is promoted to a gauge symmetry, and discuss electroweak baryogenesis and its corresponding phenomenology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Probing the sterile neutrino dipole portal with SN1987A and low-energy supernovae

Beyond the Standard Model electromagnetic properties of neutrinos may lead to copious production of sterile neutrinos in the hot and dense core of a core-collapse supernova. In this work, we focus on the active-sterile transition magnetic moment portal for heavy sterile neutrinos. Firstly, we revisit the SN1987A cooling bounds for dipole portal using the integrated luminosity method, which yields more reliable results (especially in the trapping regime) compared to the previously explored via emissivity loss, also known as the Raffelt criterion. Secondly, we obtain strong bounds on the dipole coupling strength reaching as low as 10 − 11 GeV − 1 from energy deposition, i.e., constrained from the observation of explosion energies of underluminous Type IIP supernovae. In addition, we find that sterile neutrino production from Primakoff upscattering off of a proton dominates over scattering off of an electron for low sterile neutrino masses. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2025

Characterization of W production during ICRF operations: experiments and modeling

For successfully heating plasma with waves in the ion cyclotron range of frequencies (ICRFs), mitigating impurity production is just as crucial as maximizing power coupling, especially in high-Z environments. ICRF can effectively deposit energy on ions, modify turbulence-driven transport, and enhance fusion reaction efficiency, but only when its power coupling has minimal impact on impurity production. To do so, one must rely on a toroidal array of at least three active elements excited with appropriate phasing and power ratio to reduce the currents induced on the antenna frame below levels critical for physical sputtering. In contrast to classic two-strap antennas, which are optimized for dipole phasing with equal power on both straps, three-strap antennas in ASDEX Upgrade (AUG)—but also four-strap antennas in JET, Alcator C-Mod, SPARC and ITER—offer the possibility to act also on the power ratio between the central and outer straps. With optimal settings, impurity production can be reduced substantially, making the ICRF compatible with the high-Z wall. This paper explores the characteristics of the AUG three-strap antennas in terms of impurity production, as well as the key role of plasma composition in this process. Numerical simulations were performed using SSWICH and Petra-M (finite element codes) to quantify impurity production and compare with experimental results. Energies of ions falling on antenna limiters (measured with probes) are well predicted by both codes. These tools are then used to further describe the source of the impurity, namely the gross erosion of tungsten from an ICRF antenna, for different plasma mixtures. Results are also compared to spectroscopy data. Ultimately, we show that deleterious effects of the ICRF on plasma surface interactions will be weaker in plasmas containing larger fractions of highly ionized heavier low-Z impurity, which is typically relevant for experiments relying on impurity seeding.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Quantum Theory of Surface Lattice Resonances

The collective interactions of nanoparticles arranged in periodic structures give rise to high‐ in‐plane diffractive modes known as surface lattice resonances. Although these resonances and their broader implications have been extensively studied within the framework of classical electrodynamics and linear response theory, a quantum optical theory capable of describing the dynamics of these structures, especially in the presence of material nonlinearities beyond ad hoc few‐mode approximations, is largely missing. To this end, we consider a lattice of metallic nanoparticles coupled to the electromagnetic field and derive the quantum input–output relations within the electric dipole approximation. As applications, we analyze coupling between the nanoparticle array and external quantum emitters, and show how the formalism extends to molecular optomechanics, where the high ‐factors of SLRs enable coupling to collective vibrational modes. We further consider arrays composed of saturable excitonic emitters, demonstrating how emitter nonlinearities can be used to switch the SLR condition between electronic transitions. Using a perturbative approach that accounts for population dynamics, we show how these effects can be probed in pump–probe experiments and give rise to nonlinear phase‐matching phenomena. Our work provides a microscopic framework for modeling SLRs interacting with quantum emitters without phenomenological descriptions of the electromagnetic environment.

molecular optomechanics↗

NASA NTRS1975

What we have learned from the magnetosphere

Three significant discoveries resulting from recent studies of earth's magnetosphere are discussed: (1) the central role of magnetic-field-line reconnection in determining the topology, geometry, and dynamics of the magnetosphere; (2) the realization that auroral arcs result from coupling of solar-wind stresses to the ionosphere and neutral atmosphere; and (3) the role of plasma turbulence in affecting both the microscopic state and macroscopic observables of the magnetospheric plasma. Magnetic-field-line reconnection is described in terms of Dungey's (1961) model of the magnetosphere, a simple picture of magnetic-substorm evolution is outlined, and questions concerning the reconnection rate are considered. The production of aurorae by field-aligned electron beams is examined, and an analogy is made between earth's magnetosphere and that of a pulsar with aligned dipole and spin axes. Plasma-turbulence problems are reviewed which concern anomalously fast electron and proton losses from the Van Allen belts, whistler-electron interactions, and anomalous resistance in auroral arcs. The Pioneer 10 encounter with Jupiter's magnetosphere is briefly noted.

Kennel, C. F.↗

NASA NTRS1961

A Study of the Free Oscillations of the Earth

Published observations on the toroidal oscillations of the earth are critically reviewed. A supplementary analysis of the record obtained by the Lamont strain seismometer is presented. Eleven toroidal modes are identified, and it is concluded that the periods are known to within 1 per cent. A perturbation scheme involving the ratio of the angular velocity of the earth to the resonant frequency is used in calculating the effects due to the rotation of the earth on the resonant frequency. The free oscillations are viewed as a superposition of traveling waves. In a nonrotating system two traveling waves combine to produce a stationary standing wave. In a rotating system, the rotation distinguishes between waves that travel in the direction of rotation and those that travel in the opposite direction. Rotation removes a degeneracy and results in a splitting of a spectral peak of order l into 2 times l plus 1 peaks. The fractional displacement in frequency for the lowest-order toroidal oscillations is 1/206 and of the same order as the Q of the peak, so that splitting will probably not be observed in the toroidal oscillations. Viewed locally, rotation causes a particle to precess about a direction parallel to the axis of rotation. This precession will cause a variation of amplitude with time if the motion is recorded by an instrument with an anisotropic response function. Care is therefore needed in studying the time decay of a given spectral peak. Rotation also couples the normal coordinates so that a motion that is initially purely horizontal will develop a vertical component. It is expected that vertical seismometers should record particle motion with the toroidal frequencies. The perturbations of the toroidal oscillations due to core-mantle interaction are treated in detail. An exact expression is obtained for the rate of energy dissipated by a finitely conducting plate oscillating across a magnetic field. The energy dissipated at the core-mantle boundary due to viscous and hydromagnetic coupling is shown to be insignificant as compared with the energy dissipated within the mantle. The toroidal magnetic field leaking into the lower mantle combines with the dipole field, resulting in a stress on the mantle, tending to stiffen the lower boundary. The stress is of sufficient magnitude to produce a displacement toward higher frequency in the lower-order toroidal oscillations. Observations on the (sub 0) T (sub 2) oscillations lead to an estimate of the toroidal magnetic field in the lower mantle. A calculation of elastic energy in the low-order oscillations suggests a value of 10 (sup 18) ergs per cycles per hour for the energy density at low frequencies in the Chilean earthquake. Each mode of oscillation has a characteristic radial distribution of elastic energy associated with it. This distribution determines which parts of the earth contribute most heavily in determining a particular resonant frequency. The distribution of energy for the lower 17 modes for a homogeneous and a Gutenberg model earth is calculated. The resonant frequencies for models of the earth based on the Gutenberg and Lehmann distribution of elastic properties are presented. It is shown that the Gutenberg model earth fits the observations more closely than the Lehmann model and that a slight alteration of the Gutenberg model gives a significantly better fit to the observations. The alteration involves a lower shear-wave velocity in the lower mantle while the Gutenberg velocity distribution is maintained in the upper mantle. Various studies of the earth's oscillations coupled with surface-wave investigations substantiate Gutenberg's hypothesis of a layer of low velocity in the upper mantle. The physical conditions required for the formation of a region of low velocity are examined in detail. The results confirm Birch's earlier statement that a temperature gradient in excess of 6 degrees to 7 degrees per kilometer is needed to produce a decrease in velocity. The low-velocity layer does not require that the temperature approach or exceed the melting temperature. If tile upper mantle is homogeneous, the region of lower velocity should commence at the base of the crust and extend to 150 kilometers under the oceans and about 100 kilometers under continental regions. The distribution of thermal conductivity and radioactivity consistent with the low-velocity layer is also considered.

MacDonald, Gordon J. F.↗

DOE OSTI2025

Topology and spectral entanglement in cavity-mediated photon scattering

Here, we develop a microscopic diagrammatic theory for cavity-mediated photon scattering in a topological one-dimensional insulator described by the Su–Schrieffer–Heeger model. Within the velocity-gauge formulation, we derive the photon self-energy and vertex corrections arising from virtual electron–hole excitations coupled to a quantized cavity mode, and we evaluate the resulting polariton dispersion and two-photon correlation spectra. Our analysis shows that vacuum fluctuations of the cavity field induce a momentum-resolved self-energy that mixes conduction and valence bands through virtual photon exchange, producing interband hybridization and avoided crossings in the electronic dispersion. This “cavity dressing” is symmetry-dependent, vanishing at the Brillouin-zone edge where the dipole matrix element is zero, and its strength is controlled by the spatial coherence range ζ ≈ (l c /a) 2 of virtual excitations. We further examine how the cavity modifies nonlinear optical observables, including the Kerr nonlinearity and biphoton spectral entanglement, and identify the regimes where these effects become sensitive to the underlying topological phase. The theoretical framework established here provides a unified description of light–matter coupling in topological and polaritonic systems, bridging solid-state cavity QED with the emerging field of cavity-modified quantum materials. Our results suggest that engineered photonic environments can coherently reshape the electronic landscape of topological insulators, offering new routes to control collective electronic and optical phenomena through vacuum-field fluctuations.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Charged lepton flavor violation at the EIC

We present a comprehensive analysis of the potential sensitivity of the Electron-Ion Collider (EIC) to charged lepton flavor violation (CLFV) in the channel ep → τX, within the model-independent framework of the Standard Model Effective Field Theory (SMEFT). We compute the relevant cross sections to leading order in QCD and electroweak corrections and perform simulations of signal and SM background events in various τ decay channels, suggesting simple cuts to enhance the associated estimated efficiencies. To assess the discovery potential of the EIC in τ-e transitions, we study the sensitivity of other probes of this physics across a broad range of energy scales, from pp → eτX at the Large Hadron Collider to decays of B mesons and τ leptons, such as τ → eγ, τ → eℓ+ℓ–, and crucially the hadronic modes τ → eY with Yϵ {π, K, ππ, Kπ, …}. We find that electroweak dipole and four-fermion semi-leptonic operators involving light quarks are already strongly constrained by τ decays, while operators involving the c and b quarks present more promising discovery potential for the EIC. An analysis of three models of leptoquarks confirms the expectations based on the SMEFT results. We also identify future directions needed to maximize the reach of the EIC in CLFV searches: these include an optimization of the τ tagger in hadronic channels, an exploration of background suppression through tagging b and c jets in the final state, and a global fit by turning on all SMEFT couplings, which will likely reveal new discovery windows for the EIC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Polariton-assisted incoherent to coherent excitation energy transfer between colloidal nanocrystal quantum dots

Here, we explore the dynamics of energy transfer between two nanocrystal quantum dots placed within an optical microcavity. By adjusting the coupling strength between the cavity photon mode and the quantum dots, we have the capacity to fine-tune the effective coupling between the donor and acceptor. Introducing a non-adiabatic parameter, γ, governed by the coupling to the cavity mode, we demonstrate the system’s capability to shift from the overdamped Förster regime (γ $\ll$ 1) to an underdamped coherent regime (γ $\gg$ 1). In the latter regime, characterized by swift energy transfer rates, the dynamics are influenced by decoherence time. To illustrate this, we study the exciton energy transfer dynamics between two closely positioned CdSe/CdS core/shell quantum dots with sizes and separations relevant to experimental conditions. Employing an atomistic approach, we calculate the excitonic level arrangement, exciton–phonon interactions, and transition dipole moments of the quantum dots within the microcavity. These parameters are then utilized to define a model Hamiltonian. Subsequently, we apply a generalized non-Markovian quantum Redfield equation to delineate the dynamics within the polaritonic framework.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗