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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Troposphere-Stratosphere Dynamic Coupling Under Strong and Weak Polar Vortex Conditions

The relationship between Northern Hemisphere (NH) tropospheric and stratospheric wave-like anomalies of spherical zonal wave number (ZWN) 1 is studied by applying Canonical Correlation Analysis (CCA). A lag-correlation technique is used with 10-day lowpass filtered daily time series of 50- and 500-hPa geopotential heights. Generally stratospheric circulation is determined by ultralong tropospheric planetary waves. During winter seasons characterized either by any anomalously strong or weak polar winter vortex different propagation characteristics for waves of ZWN 1 are observed. The non-linear perspective of the results have implications for medium range weather forecast and climate sensitivity experiments.

Perlwitz, Judith↗
NASA NTRS2001

Earth-Atmospheric Coupling During Strong Earthquakes by Analyzing MODIS Data

Interactions between the Earth and the atmosphere during major earthquakes (M greater than 5) are the subject of this investigation. Recently a mechanism has been proposed predicting the build-up of positive ground potentials prior to strong earthquake activity. Connected phenomena include: transient conductivity of rocks, injection of currents, possibly also electromagnetic emission and light emission from high points at the surface of the Earth. To understand this process we analyze vertical atmospheric profiles, land surface and brightness (temperature) data, using the Moderate Resolution Imaging Spectroradiometer (MODIS) onboard NASA's Terra satellite launched in December 1999. MODIS covers the entire Earth every 1-2 days in 36 wavelength bands (20 visible and 16 infrared) at different spatial resolutions (250 m, 500 m, and 1 km). Using MODIS data we look for correlations between the atmospheric dynamics and solid Earth processes for the January 2001 strong earthquakes in San Salvador and India. As part of the build-up of positive grounds potential, an IR luminescence is predicted to occur in the 8-12 micrometer band. We use the MODIS data to differentiate between true "thermal" signals and IR luminescence. Indeed, on the basis of a temporal and spatial distribution analysis, a thermal anomaly pattern is found that appears to be related to the seismic activity. Aerosol content and atmospheric instability parameters also change when ground charges build up causing ion emission and leading to a thin aerosol layer over land. We analyze the aerosol content, atmospheric pressure, moisture profile and lifted index. Anomalous trends have been identified in few days prior to the main shocks. The significance of this observation should be explored further using other data sets.

Ouzounov, Dimitar↗
DOE OSTI2021

Superconductivity, charge density waves, and bipolarons in the Holstein model

The electron-phonon ( e-ph ) interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge density waves (CDW), and polarons. We study the two-dimensional Holstein model for e-ph coupling using determinant quantum Monte Carlo across a wide range of its phase diagram as a function of temperature, electron density, dimensionless e-ph coupling strength, and the adiabatic ratio of the phonon frequency to the Fermi energy. We describe the behavior of the CDW correlations, the competition between superconducting and CDW orders and polaron formation, the optimal conditions for superconductivity, and the transition from the weak-coupling regime to the strong-coupling regime. Superconductivity is optimized at intermediate e-ph coupling strength and intermediate electron density, and the superconducting correlations increase monotonically with phonon frequency. The global maximum for superconductivity in the Holstein model occurs at large phonon frequency, the limit where an attractive Hubbard model effectively describes the physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Integrated polarization-free Bragg filters with subwavelength gratings for photonic sensing

We present polarization-free Bragg filters having subwavelength gratings (SWGs) in the lateral cladding region. This Bragg design expands modal fields toward upper cladding, resulting in enhanced light interaction with sensing analytes. Two device configurations are proposed and examined, one with index-matched coupling between transverse electric (TE) and transverse magnetic (TM) modes and the other one with hybrid-mode (HM) coupling. Both configurations introduce a strong coupling between two orthogonal modes (either TE-TM or HM 1 -HM 2 ) and rotate the polarization of the input wave through Bragg reflection. The arrangements of SWGs help to achieve two configurations with different orthogonal modes, while expanding modal profiles toward the upper cladding region. Our proposed SWG-assisted Bragg gratings with polarization independency eliminate the need for a polarization controller and effectively tailor the modal properties, enhancing the potential of integrated photonic sensing applications.

Optics↗
DOE OSTI2021

Light–matter interaction of a molecule in a dissipative cavity from first principles

Cavity-mediated light–matter coupling can dramatically alter opto-electronic and physico-chemical properties of a molecule. Ab initio theoretical predictions of these systems need to combine non-perturbative, many-body electronic structure theory-based methods with cavity quantum electrodynamics and theories of open-quantum systems. Here, we generalize quantum-electrodynamical density functional theory to account for dissipative dynamics of the cavity and describe coupled cavity–single molecule interactions in the weak-to-strong-coupling regimes. Specifically, to establish this generalized technique, we study excited-state dynamics and spectral responses of benzene and toluene under weak-to-strong light–matter coupling. By tuning the coupling, we achieve cavity-mediated energy transfer between electronically excited states. This generalized ab initio quantum-electrodynamical density functional theory treatment can be naturally extended to describe cavity-mediated interactions in arbitrary electromagnetic environments, accessing correlated light–matter observables and thereby closing the gap between electronic structure theory, quantum optics, and nanophotonics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Anomalous dispersion in coupled surface plasmons and excitons

We studied dispersion in Rhodamine laser dyes in the Kretschmann geometry and found (i) multi-branch “staircase” dispersion curves in singly doped and double doped PMMA polymer, (ii) emergence of the new dispersion “fork” branch, (iii) unparallel dispersion and coupling in the mixture of two different dyes, and (iv) effect of high dye concentration on strong coupling without metal.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-Temperature Superconductivity in La 3 Ni 2 O 7

Motivated by the recent discovery of high-temperature superconductivity in bilayer La 3 Ni 2 O 7 under pressure, we study its electronic properties and superconductivity due to strong electron correlation. Using the inversion symmetry, we decouple the low-energy electronic structure into block-diagonal symmetric and antisymmetric sectors. It is found that the antisymmetric sector can be reduced to a one-band system near half filling, while the symmetric bands occupied by about two electrons are heavily overdoped individually. Using the strong coupling mean field theory, we obtain strong superconducting pairing withB 1g symmetry in the antisymmetric sector. We propose that due to the spin-orbital exchange coupling between the two sectors,B 1g pairing is induced in the symmetric bands, which in turn boosts the pairing gap in the antisymmetric band and enhances the high-temperature superconductivity with a congruent d-wave symmetry in pressurized La 3 Ni 2 O 7 .

Physics↗
DOE OSTI2023

Anomalous excitonic phase diagram in band-gap-tuned Ta2Ni(Se,S)5

Abstract During a band-gap-tuned semimetal-to-semiconductor transition, Coulomb attraction between electrons and holes can cause spontaneously formed excitons near the zero-band-gap point, or the Lifshitz transition point. This has become an important route to realize bulk excitonic insulators – an insulating ground state distinct from single-particle band insulators. How this route manifests from weak to strong coupling is not clear. In this work, using angle-resolved photoemission spectroscopy (ARPES) and high-resolution synchrotron x-ray diffraction (XRD), we investigate the broken symmetry state across the semimetal-to-semiconductor transition in a leading bulk excitonic insulator candidate system Ta 2 Ni(Se,S) 5 . A broken symmetry phase is found to be continuously suppressed from the semimetal side to the semiconductor side, contradicting the anticipated maximal excitonic instability around the Lifshitz transition. Bolstered by first-principles and model calculations, we find strong interband electron-phonon coupling to play a crucial role in the enhanced symmetry breaking on the semimetal side of the phase diagram. Our results not only provide insight into the longstanding debate of the nature of intertwined orders in Ta 2 NiSe 5 , but also establish a basis for exploring band-gap-tuned structural and electronic instabilities in strongly coupled systems.

36 MATERIALS SCIENCE↗
NASA NTRS1991

The coupling of radiative transfer to quasi 1-D flows with thermochemical nonequilibrium

Quasi-one-dimensional nonequilibrium nozzle flows with coupled radiative transfer are considered. The strongly coupled formulation of radiation and flowfield leads to a governing set of integro-differential equations. A fully implicit numerical method using the full matrix inversion or block iteration methods is presented to solve these equations. The nonequilibrium gas model consists of two chemical species, molecular and atomic nitrogen. The thermodynamic state of the gas is described by two temperatures, translational-rotational and vibrational, and the thermal radiation is assumed to be governed by the vibrational temperature. In radiative transfer, gases are assumed to be absorbing and emitting, and a detailed spectral dependency of the absorption coefficient is prescribed for a non-gray gas. The numerical solutions of strongly radiating nonequilibrium flows are presented for both gray and non-gray gases.

Gokcen, Tahir↗
NASA NTRS1986

Group-kinetic theory of turbulence

The two phases are governed by two coupled systems of Navier-Stokes equations. The couplings are nonlinear. These equations describe the microdynamical state of turbulence, and are transformed into a master equation. By scaling, a kinetic hierarchy is generated in the form of groups, representing the spectral evolution, the diffusivity and the relaxation. The loss of memory in formulating the relaxation yields the closure. The network of sub-distributions that participates in the relaxation is simulated by a self-consistent porous medium, so that the average effect on the diffusivity is to make it approach equilibrium. The kinetic equation of turbulence is derived. The method of moments reverts it to the continuum. The equation of spectral evolution is obtained and the transport properties are calculated. In inertia turbulence, the Kolmogoroff law for weak coupling and the spectrum for the strong coupling are found. As the fluid analog, the nonlinear Schrodinger equation has a driving force in the form of emission of solitons by velocity fluctuations, and is used to describe the microdynamical state of turbulence. In order for the emission together with the modulation to participate in the transport processes, the non-homogeneous Schrodinger equation is transformed into a homogeneous master equation. By group-scaling, the master equation is decomposed into a system of transport equations, replacing the Bogoliubov system of equations of many-particle distributions. It is in the relaxation that the memory is lost when the ensemble of higher-order distributions is simulated by an effective porous medium. The closure is thus found. The kinetic equation is derived and transformed into the equation of spectral flow.

Tchen, C. M.↗
NASA NTRS1993

Constraints on interseismic deformation at Japan trench from VLBI data

Space geodetic data from very long baseline interferometry (VLBI) was used to estimate velocity relative to the plate interiors of two sites on the deforming leading edge at the Japan trench. Elastic models of interseismic deformation and results obtained were used to put constraints on the slip rate along the main thrust of the Japan subduction zone. Observed velocities reflect the sum of permanent west-northwest shortening in Honshu, elastic deformation due to locking of the main thrust fault at the Japan trench, and deformation associated with the subducting Phillipine plate. These velocities limit the locked segment of the main thrust at the Japan trench to 27 km vertically and 100 km along the dip. This indicates that the main Pacific plate thrust fault is not strongly coupled and probably does not generate strong earthquakes.

Argus, Donald F.↗
DOE OSTI2026

Multi-Spectroscopic Determination of Exchange Coupling, Zero-Field Splitting, and g-Matrices in Radical-Bridged Dinuclear Fe(III) Complexes

When the energy gap, Δ, between the lowest-lying spin manifolds within a spin-exchange coupled molecule approaches Δ/k B ≈ 300 K, the traditional temperature-dependence (T < 400 K) of the molar magnetic susceptibility is not always a reliable way to obtain a good estimate of intramolecular exchange couplings. We develop a spectroscopic approach capable of accurately parametrizing complex magnetic Hamiltonians by exploiting the separation of the anisotropy and exchange energy scales in strongly coupled magnetic molecules. Specifically, we combine inelastic neutron scattering, high-frequency electron paramagnetic resonance, far-infrared magneto-spectroscopy and magnetometry, and obtain detailed information about the magnetic properties of a series of diiron complexes derived from [[Fe(cth)] 2 (dxbq)] 3+ (H 2 dxbq: 2,5-dihydroxy-1,4-benzoquinone (x = h) or 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (x = c), cth: 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane). Well-isolated S = 9/2 ground states emerge due to strong direct antiferromagnetic exchange between the Fe 3+ centers (S = 5/2) and the radical bridging benzoquinone ligand (S = 1/2). The specific sensitivities and transition selection rules of the applied methods allow us to determine the parameters of the microscopic Hamiltonian including exchange coupling, fourth-order Stevens operators and g-factors. Our methodology is directly portable to other strongly coupled molecular compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

LixNiO/Ni Heterostructure with Strong Basic Lattice Oxygen Enables Electrocatalytic Hydrogen Evolution with Pt-like Activity

The low-cost hydrogen production from water electrolysis is crucial for practical deployment of sustainable hydrogen economy, but is often constrained by the lack of active and robust electrocatalysts from Earth-abundant materials. We describe here an unconventional heterostructure composed of strongly coupled Ni-deficient LixNiO nanoclusters and polycrystalline Ni nanocrystals, and its exceptional activities toward hydrogen evolution reaction (HER) in aqueous electrolytes. The presence of unique lattice oxygen species with strong Brønsted basicity is a significant feature, which spontaneously split water molecules and effectively accelerate the sluggish Volmer H-OH dissociation step in neutral and alkaline HER. In combination with the unpreceded level of intimate LixNiO and Ni interfacial junctions that produces abundant “hotspots” for promoted hydride coupling, the catalyst exhibited kinetic activities almost identical as Pt/C and decent long term stability in universal pH.

Lu, Ke↗
DOE OSTI2024

Strong Photon‐Magnon Coupling Using a Lithographically Defined Organic Ferrimagnet

Abstract A cavity‐magnonic system composed of a superconducting microwave resonator coupled to a magnon mode hosted by the organic‐based ferrimagnet vanadium tetracyanoethylene (V[TCNE] x ) is demonstrated. This work is motivated by the challenge of scalably integrating a low‐damping magnetic system with planar superconducting circuits. V[TCNE] x has ultra‐low intrinsic damping, can be grown at low processing temperatures on arbitrary substrates, and can be patterned via electron beam lithography. The devices operate in the strong coupling regime, with a cooperativity exceeding 1000 for coupling between the Kittel mode and the resonator mode at T≈0.4 K, suitable for scalable quantum circuit integration. Higher‐order magnon modes are also observed with much narrower linewidths than the Kittel mode. This work paves the way for high‐cooperativity hybrid quantum devices in which magnonic circuits can be designed and fabricated as easily as electrical wires.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Alternating Direction Decomposition with Strong Bounding and Convexification (ADDSBC) for Solving Security Constrained AC Unit Commitment Problems

This project aims to develop efficient and robust computational methods for solving the security-constrained unit commitment and alternating current optimal power flow problem (SC-UC-ACOPF). The SC-UC-ACOPF problem is at the center of the short-term operation of the U.S. Power Grid. It is solved every week, every day, and every 10 minutes to plan for the optimal action of electricity generation and consumption by minimizing the generation cost and maintaining power system reliability against potential disruptions of equipment failures. In mathematical terms, SC-UC-ACOPF is a challenging large-scale mixed-integer nonlinear optimization model. This means that the decisions involve both discrete variables, e.g. the turning on and off of generators and switching of transmission lines and transformers, and continuous decisions, e.g. the amount of energy generated by each generator and the power flows in the power grid. The physics of the power flow is described by nonlinear equations involving real and reactive power and bus voltages. Another key feature is the large number of contingencies, i.e. the system needs to stay reliable in face of failure of any one equipment, such as transmission lines and generators. The U.S. power grids are extremely complicated and large scale with more than 5,000 generators, 50,000 buses, and 100,000 high-voltage transmission lines, making the SC-UC-ACOPF a very large-scale computation challenge. The research developed in this project aims to solve the SC-UC-ACOPF problems in the three timescales, i.e. weekly, daily, and every 10-min. The proposed computational methods are built on a principled algorithmic approach of decomposition and penalization. More specifically, the algorithm develops spatial and temporal decomposition by exploiting the strong temporal coupling and weak spatial coupling of the UC problem and the complementary feature, i.e. weak temporal coupling and strong spatial coupling of the ACOPF problem. The algorithm also leverages recent progresses in strong convex relaxation of ACOPF. A unique feature of the proposed approach is that it generates a valid, global upper bound on the optimal maximum profit. In this way, a global optimality gap is available to measure the quality of the solution. To further speed up computation, the research team has developed a plethora of effective heuristics to strengthen the iterative penalty-based decomposition framework. For instance, a heuristic is developed to construct inner approximations of the time coupling constraints within the time decoupled problems. Contingencies are pre-screened and low-rank matrix computation is exploited to find the almost unique solution to each contingency. A novel heuristic for line switching is proposed and tested with positive impacts on instances where line switching is beneficial. Taking a systematic approach and carefully handling every detail of the problem pays off. The TIM-GO’s performance throughout the trials and the final event was stellar. TIM-GO garnered the second highest total prize money and is ranked in the top three positions across all categories of comparison.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Two-dimensional ferromagnetic superlattices

Mechanically exfoliated two-dimensional ferromagnetic materials (2D FMs) possess long-range ferromagnetic order and topologically nontrivial skyrmions in few layers. However, because of the dimensionality effect, such few-layer systems usually exhibit much lower Curie temperature (T C ) compared to their bulk counterparts. It is therefore of great interest to explore effective approaches to enhance their T C , particularly in wafer-scale for practical applications. Here, we report an interfacial proximity-induced high-T C 2D FM Fe 3 GeTe 2 (FGT) via A-type antiferromagnetic material CrSb (CS) which strongly couples to FGT. A superlattice structure of (FGT/CS) n , where n stands for the period of FGT/CS heterostructure, has been successfully produced with sharp interfaces by molecular-beam epitaxy on 2-inch wafers. By performing elemental specific X-ray magnetic circular dichroism (XMCD) measurements, we have unequivocally discovered that T C of 4-layer Fe 3 GeTe 2 can be significantly enhanced from 140 K to 230 K because of the interfacial ferromagnetic coupling. Meanwhile, an inverse proximity effect occurs in the FGT/CS interface, driving the interfacial antiferromagnetic CrSb into a ferrimagnetic state as evidenced by double-switching behavior in hysteresis loops and the XMCD spectra. Density functional theory calculations show that the Fe-Te/Cr-Sb interface is strongly FM coupled and doping of the spin-polarized electrons by the interfacial Cr layer gives rise to the T C enhancement of the Fe 3 GeTe 2 films, in accordance with our XMCD measurements. Strikingly, by introducing rich Fe in a 4-layer FGT/CS superlattice, T C can be further enhanced to near room temperature. Our results provide a feasible approach for enhancing the magnetic order of few-layer 2D FMs in wafer-scale and render opportunities for realizing realistic ultra-thin spintronic devices.

(Fe3GeTe2/CrSb)n superlattice↗
DOE OSTI2023

NNLL resummation of Sudakov shoulder logarithms in the heavy jet mass distribution

The heavy jet mass event shape has large perturbative logarithms near the leading order kinematic threshold at ρ = $\frac{1}{3}$. Catani and Webber named these logarithms Sudakov shoulders and resummed them at double-logarithmic level. A resummation to next-to-leading logarithmic level was achieved recently. Here, we extend the resummation using an effective field theory framework to next-to-next-to-leading logarithmic order and show how to combine it with the resummation of dijet logarithms. We also solve the open problem of an unphysical singularity in the resummed momentum space distribution, in a way similar to how it is resolved in the Drell-Yan q T spectrum: through a careful analysis of the kinematics and scale-setting in position space. The heavy jet mass Sudakov shoulder is the first observable that does not involve transverse momentum for which position space resummation is critical. These advances may lead to a more precise extraction of the strong coupling constant from e + e – data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗