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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Binary stellar winds

Stellar winds from a binary star pair will interact with each other along a contact discontinuity. We discuss qualitatively the geometry of the flow and field resulting from this interaction in the simplest case where the stars and winds are identical. We consider the shape of the critical surface (defined as the surface where the flow speed is equal to the sound speed) as a function of stellar separation and the role of shock waves in the flow field. The effect of stellar spin and magnetic sectors on the field configuration is given. The relative roles of mass loss and magnetic torque in the evolution of orbital parameters is discussed.

Siscoe, G. L.↗
NASA NTRS1977

Noncausal effects in relativistic wave equations

Manifestly covariant wave equations describing particles with a unique mass and spin can, for certain types of external-field interactions, possess noncausal solutions. The paper reports a procedure for applying Pierce decomposition of all six couplings expressed in the Duffin-Kemmer-Petiau spin-0 formula. This treatment converts the equation to a form in which the causal properties are apparent. The conditions under which the causal properties of higher-spin equations can be made manifest are discussed.

Guertin, R. F.↗
NASA NTRS2011

Embedded Acoustic Sensor Array for Engine Fan Noise Source Diagnostic Test: Feasibility of Noise Telemetry via Wireless Smart Sensors

Aircraft engines have evolved into a highly complex system to meet ever-increasing demands. The evolution of engine technologies has primarily been driven by fuel efficiency, reliability, as well as engine noise concerns. One of the sources of engine noise is pressure fluctuations that are induced on the stator vanes. These local pressure fluctuations, once produced, propagate and coalesce with the pressure waves originating elsewhere on the stator to form a spinning pressure pattern. Depending on the duct geometry, air flow, and frequency of fluctuations, these spinning pressure patterns are self-sustaining and result in noise which eventually radiate to the far-field from engine. To investigate the nature of vane pressure fluctuations and the resulting engine noise, unsteady pressure signatures from an array of embedded acoustic sensors are recorded as a part of vane noise source diagnostics. Output time signatures from these sensors are routed to a control and data processing station adding complexity to the system and cable loss to the measured signal. "Smart" wireless sensors have data processing capability at the sensor locations which further increases the potential of wireless sensors. Smart sensors can process measured data locally and transmit only the important information through wireless communication. The aim of this wireless noise telemetry task was to demonstrate a single acoustic sensor wireless link for unsteady pressure measurement, and thus, establish the feasibility of distributed smart sensors scheme for aircraft engine vane surface unsteady pressure data transmission and characterization.

Zaman, Afroz↗
NASA NTRS2005

Effect of electron-nuclear spin interactions for electron-spin qubits localized in InGaAs self-assembled quantum dots

The effect of electron-nuclear spin interactions on qubit operations is investigated for a qubit represented by the spin of an electron localized in an InGaAs self-assembled quantum dot. The localized electron wave function is evaluated within the atomistic tight-binding model. The electron Zeeman splitting induced by the electron-nuclear spin interaction is estimated in the presence of an inhomogeneous environment characterized by a random nuclear spin configuration, by the dot-size distribution, alloy disorder, and interface disorder. Due to these inhomogeneities, the electron Zeeman splitting varies from one qubit to another by the order of 10(-6), 10(-6), 10(-7), and 10(-9) eV, respectively. Such fluctuations cause errors in exchange operations due to the inequality of the Zeeman splitting between two qubits. However, the error can be made lower than the quantum error threshold if an exchange energy larger than 10(-4) eV is used for the operation. This result shows that the electron-nuclear spin interaction does not hinder quantum-dot based quantum computer architectures from being scalable even in the presence of inhomogeneous environments.

Whaley, K. Birgitta↗
DOE OSTI2022

Twistronics of Janus transition metal dichalcogenide bilayers

Twisted multilayers of two-dimensional (2D) materials are an increasingly important platform for investigating quantum phases of matter, and in particular, strongly correlated electrons. The moiré pattern introduced by the relative twist between layers creates effective potentials of long wavelength, leading to electron localization. However, in contrast to the abundance of 2D materials, few twisted heterostructures have been studied until now. Here, in this study, we develop a first-principles continuum theory to study the electronic bands introduced by moire patterns of twisted Janus transition metal dichalcogenide (TMD) homo- and heterobilayers. The model includes lattice relaxation, stacking-dependent effective mass, and Rashba spin-orbit coupling. We then perform a high-throughput generation and characterization of DFT-extracted continuum models for more than a hundred possible combinations of materials and stackings. Our model predicts that the moiré physics and emergent symmetries depend on chemical composition, vertical layer orientation, and twist angle, so that the miniband wave functions can form triangular, honeycomb, and kagome networks. Rashba spin-orbit effects, peculiar of these systems, can dominate the moiré bandwidth at small angles. Our work enables detailed investigation of Janus twisted heterostructures, allowing the discovery and control of novel electronic phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Identifying the Molecular Edge Termination of Exfoliated Hexagonal Boron Nitride Nanosheets with Solid-State NMR Spectroscopy and Plane-Wave DFT Calculations

Hexagonal boron nitride nanosheets (h-BNNS), the isoelectronic analog to graphene, have received interest over the past decade due to their high thermal oxidative resistance, high bandgap, catalytic activity, and low cost. The functional groups that terminate boron and nitrogen zigzag and/or armchair edges directly affect their chemical, physical, and electronic properties. However, an understanding of the molecular edge termination present in h-BNNS is lacking. Here, high-resolution magic-angle spinning (MAS) solid-state NMR (SSNMR) spectroscopy, and plane-wave density-functional theory (DFT) calculations are used to determine the molecular edge termination in exfoliated h-BNNS. 1 H → 11 B cross-polarization MAS (CPMAS) SSNMR spectra of h-BNNS revealed multiple hydroxyl/oxygen coordinated boron edge sites that were not detectable in direct excitation experiments. A dynamic nuclear polarization (DNP)-enhanced 1 H → 15 N CPMAS spectrum of h-BNNS displayed four distinct 15 N resonances while a 2D 1 H{ 14 N} dipolar-HMQC spectrum acquired with fast MAS revealed three distinct 14 N environments. Plane-wave DFT calculations were used to construct model edge structures and predict the corresponding 11 B, 14 N and 15 N SSNMR spectra. Comparison of the experimental and predicted SSNMR spectra confirms that zigzag and armchair edges with both amine and boron hydroxide/oxide termination are present. The detailed characterization of h-BNNS molecular edge termination will prove useful for many material science applications. The techniques outlined here should also be applicable to understand the molecular edge terminations in other 2D materials

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

Absence of bulk charge density wave order in the normal state of UTe 2

A spatially modulated superconducting state, known as pair density wave (PDW), is a tantalizing state of matter with unique properties. Recent scanning tunneling microscopy (STM) studies revealed that spin-triplet superconductor UTe 2 hosts an unprecedented spin-triplet, multi-component PDW whose three wavevectors are indistinguishable from a preceding charge-density wave (CDW) order that survives to temperatures well above the superconducting critical temperature, T c . Whether the PDW is the mother or a subordinate order remains unsettled. Here, based on a systematic search for bulk charge order above T c using resonant elastic X-ray scattering (REXS), we show that the structure factor of charge order previously identified by STM is absent in the bulk within the sensitivity of REXS. Our results invite two scenarios: either the density-wave orders condense simultaneously at T c in the bulk, in which case PDW order is likely the mother phase, or the charge modulations are restricted to the surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1978

Stabilization of He2(A(sup 3)Sigma(sub u)(+)) molecules in liquid helium by optical pumping for vacuum UV laser

A technique is disclosed for achieving large populations of metastable spin-aligned He2(a 3 Sigma u +) molecules in superfluid helium to obtain lasing in the vacuum ultraviolet wavelength regime around 0.0800 micron m by electronically exciting liquid (superfluid) helium with a comparatively low-current electron beam and spin aligning the metastable molecules by means of optical pumping with a modestly-powered (100mW) circularly-polarized continuous wave laser operating at, for example, 0.9096 or 0.4650 micron m. Once a high concentration of spin-aligned He2 (a 3 Sigma u +) is achieved with lifetimes of a few milliseconds, a strong microwave signal destroys the spin alignment and induces a quick collisional transition of He2 (a 3 Sigma u +) molecules to the a 1 Sigma u + state and thereby a lasing transition to the X 1 Sigma g + state.

Zmuidzinas, J. S.↗
NASA NTRS1977

Forced baroclinic ocean motions. II - The linear equatorial bounded case

Results obtained in the first part of this paper (1976), which studied forced baroclinic ocean motions in the linear equatorial unbounded case, are extended to the case of an ocean bounded by two meridians. A complete solution for the linear spin-up in response to a switched-on, x-dependent wind stress is obtained in terms of five components: the unbounded nonoscillatory response to the wind stress forcing; the inertia-gravity waves generated when the forcing switches on, together with their reflections; the quasi-geostrophic Rossby modes forming the eastern boundary response and a western boundary layer; and the equatorial Kelvin wave component of the western boundary response. Kelvin waves are generated if the forcings include a zonal wind component that is symmetric about the equator or an antisymmetric meridional wind stress. For non-Kelvin symmetries, spin-up occurs entirely by the effects of Rossby waves emanating from the eastern boundary. The state approaches the steady solution as increasing numbers of these reach an interior point. In Kelvin symmetries, the Rossby waves act to bring the sea surface tilt to the steady value and the spin-up of the tilt proceeds as in non-Kelvin cases.

Cane, M. A.↗
DOE OSTI2026

Quantum stress and torsion distributions in the deuteron

Stress distributions in the deuteron are related to form factors of the asymmetric energy-momentum tensor through three-dimensional Fourier transforms. There are eleven such form factors, which we calculate in an impulse approximation. We compare the obtained form factors to prior results for the six form factors that have been previously calculated. We then elaborate on the formalism for relating the form factors to internal distributions of mass, mass flux, momentum, stresses, and forces, and obtain results for all of these distributions. We obtain the principal stresses for the symmetric part of the stress tensor, and show that the antisymmetric part describes the reorientation of fermion spin by torsion stress when the nucleon moves between the S and D waves. Force distributions in the nucleons depend on the so-called nonconserved form factors through the Cauchy momentum equation, and are nonradial owing to the presence of tensor forces and spin-orbit coupling.

QCD phenomenology↗
DOE OSTI2021

Robust d-Wave Superconductivity in the Square-Lattice t–J Model

Unravelling competing orders emergent in doped Mott insulators and their interplay with unconventional superconductivity is one of the major challenges in condensed matter physics. Here, to explore the possible superconducting state in a doped Mott insulator, we study the square-lattice t-J model with both the nearest-neighbor and next-nearest-neighbor electron hoppings and spin interactions. By using the state-of-the-art density matrix renormalization group calculation with imposing charge U(1) and spin SU(2) symmetries on the six-leg cylinders, we establish a quantum phase diagram including three phases: a stripe charge density wave phase, a superconducting phase without static charge order, and a superconducting phase coexistent with a weak charge stripe order. Crucially, we demonstrate that the superconducting phase has a power-law pairing correlation that decays much slower than the charge density and spin correlations, which is a quasi-1D descendant of the uniform d-wave superconductor in two dimensions. These findings reveal that enhanced charge and spin fluctuations with optimal doping is able to produce robust d-wave superconductivity in doped Mott insulators, providing a foundation for connecting theories of superconductivity to models of strongly correlated systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Strongly anisotropic electronic and magnetic structures in oxide dichlorides RuOCl 2 and OsOCl 2

The van der Waals oxide dichlorides MOX 2 (M=V, Ta, Nb, Ru, and Os; X=halogen element), with different electronic densities, are attracting considerable attention. Ferroelectricity, spin-singlet formation, and orbital-selective Peierls phases were reported in this family with d 1 or d 2 electronic configurations, all believed to be caused by the strongly anisotropic electronic orbital degree of freedom. Here, using density functional theory and density matrix renormalization group methods, we investigate the electronic and magnetic properties of RuOCl 2 and OsOCl 2 with d 4 electronic configurations. Different from a previous study using VOI 2 with d 1 configuration, these systems with 4d4 or 5d4 do not exhibit a ferroelectric instability along the a axis. Due to the fully occupied dxy orbital in RuOCl 2 and OsOCl 2 , the Peierls instability distortion disappears along the b axis, leading to an undistorted Immm phase (No. 71). Furthermore, we observe strongly anisotropic electronic and magnetic structures along the a axis. For this reason, the materials of our focus can be regarded as “effective one-dimensional” systems even when they apparently have a dominant two-dimensional lattice geometry. The large crystal-field splitting energy (between dxz/yz and dxy orbitals) and large hopping between nearest-neighbor Ru and Os atoms suppresses the J = 0 singlet state in MOCl 2 (M=Ru or Os) with electronic density n = 4, resulting in a spin-1 system. Moreover, we find staggered antiferromagnetic order with π wave vector along the M-O chain direction (a axis) while the magnetic coupling along the b axis is weak. Based on Wannier functions from first-principles calculations, we calculated the relevant hopping amplitudes and crystal-field splitting energies of the t 2g orbitals for the Os atoms to construct a multiorbital Hubbard model for the M-O chains. Staggered AFM with ↑|-|↓-↑|-|↓ spin structure dominates in our density matrix renormalization group calculations, in agreement with density functional theory calculations. Our results for RuOCl 2 and OsOCl 2 provide guidance to experimentalists and theorists working on this interesting family of oxide dichlorides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1973

Acoustic wave propagation in an axisymmetric swirling jet.

An analysis has been developed to study the acoustic wave propagation in an axisymmetric swirling subsonic jet flow. The governing convected wave equation derived in the spherical coordinates includes mean shears, shear gradients and pressure gradients. The directivity patterns for various spinning and non-spinning modes due to the influence of the mean jet swirl were obtained by numerically integrating the governing wave equation. The mean flow field used in the computation was that obtained semiempirically for subsonic swirling turbulent jet and is completely specified once the degree of swirl is known. The dependence of sound directivity on jet Mach number, swirl ratio and frequency are discussed.

Yu, J. C.↗
NASA NTRS2007

Accurate Waveforms for Non-spinning Binary Black Holes using the Effective-one-body Approach

Using numerical relativity as guidance and the natural flexibility of the effective-one-body (EOB) model, we extend the latter so that it can successfully match the numerical relativity waveforms of non-spinning binary black holes during the last stages of inspiral, merger and ringdown. Here, by successfully, we mean with phase differences < or approx. 8% of a gravitational-wave cycle accumulated until the end of the ringdown phase. We obtain this result by simply adding a 4 post-Newtonian order correction in the EOB radial potential and determining the (constant) coefficient by imposing high-matching performances with numerical waveforms of mass ratios m1/m2 = 1,2/3,1/2 and = 1/4, m1 and m2 being the individual black-hole masses. The final black-hole mass and spin predicted by the numerical simulations are used to determine the ringdown frequency and decay time of three quasi-normal-mode damped sinusoids that are attached to the EOB inspiral-(plunge) waveform at the light-ring. The accurate EOB waveforms may be employed for coherent searches of gravitational waves emitted by non-spinning coalescing binary black holes with ground-based laser-interferometer detectors.

Buonanno, Alessandra↗
DOE OSTI2021

Dynamical properties of a driven dissipative dimerized $S$ =1/2 chain

We consider the dynamical properties of a gapped quantum spin system coupled to the electric field of a laser, which drives the resonant excitation of specific phonon modes that modulate the magnetic interactions. Here, we deduce the quantum master equations governing the time-evolution of both the lattice and spin sectors, by developing a Lindblad formalism with bath operators providing an explicit description of their respective phonon-mediated damping terms. We investigate the nonequilibrium steady states (NESS) of the spin system established by a continuous driving, delineating parameter regimes in driving frequency, damping, and spin-phonon coupling for the establishment of physically meaningful NESS and their related nontrivial properties. Focusing on the regime of generic weak spin-phonon coupling, we characterize the NESS by their frequency and wave-vector content, explore their transient and relaxation behavior, and discuss the energy flow, the system temperature, and the critical role of the type of bath adopted. Our study lays a foundation for the quantitative modeling of experiments currently being designed to control coherent many-body spin states in quantum magnetic materials.

1-dimensional spin chains↗
DOE OSTI2025

A Conjugated Oligoelectrolyte Exhibiting Room Temperature Spin-Correlated Radical Pair Character for Biological Sensing

We report a water-soluble conjugated oligoelectrolyte (COE) composed of carbazole-benzophenone, COE-CbzBP, that exhibits photogenerated spin-correlated radical pair (SCRP) behavior sensitive to static electric fields from DNA but not from lipid bilayers. The SCRP forms from a thermally activated, spin-polarized state enabled by partial π-conjugation disruption at the donor–acceptor (carbazole-benzophenone) nitrogen–carbon (N–C) junction, which facilitates a twisted intramolecular charge-transfer (TICT) geometry. This state minimizes the singlet–triplet energy gap (ΔE ST = 0.12 eV), radical–pair exchange coupling (J RP ∼ ΔE ST /2), and charge separation free energy (ΔG CS ) in both DNA (−0.19 eV) and lipid bilayers (−0.55 eV). Room-temperature continuous-wave electron paramagnetic resonance (CW-EPR) reveals a photogenerated spin-polarized singlet for COE-CbzBP that splits upon DNA association, consistent with modulation of J RP and hyperfine coupling (A x ), presumably via electric field-spin coupling. No spin-polarized signal was observed under dark, cryogenic conditions, or in liposomes, but was quenched by the spin trap 4-POBN. Transient absorption and spectroelectrochemistry confirmed magnetic-field sensitive long-lived excited-state absorption features attributed to charge-separated states 3 [Cbz •+ -BP •– ]*, which were lengthened by DNA, and quenched in lipid bilayers and 4-POBN. Quantum chemical simulations show that planar geometries (lipid-like) increase ΔE ST by 0.31 eV compared to TICT-optimized structures. This geometry-dependent modulation explains the absence of SCRP signatures in rigid environments, underscoring the importance of TICT states, minimized ΔE ST , and favorable ΔG CS for achieving room-temperature SCRP generation. These findings establish design principles for TICT-enabled molecules exhibiting qubit-like behavior that operate under ambient and biologically relevant conditions, with direct implications for quantum information science (QIS).

Aromatic compounds↗
NASA NTRS1992

Excitation of gravity waves in common envelopes

We study the excitation of gravity waves by a low-mass companion orbiting inside the envelope of a giant star, concentrating on brown dwarfs inside the envelope of asymptotic giant branch stars. Efficient g-wave excitations occur only after the brown dwarf has spiraled-in to the radiative zone, well inside the envelope, of the asymptotic giant branch star. The brown dwarf excites g-waves when its orbital radius is about 3-10 solar radii. At this stage of the evolution the envelope mass is below 0.1 solar mass. The g-waves propagate inward from the secondary orbit, carrying angular momentum and energy. We find that the angular momentum transport leads to an efficient spin-up of the inner envelopes. The differential rotation between the envelope and core and nonlinear wave effects, can cause a mixing of heavy elements from the core to the envelope.

Soker, Noam↗
DOE OSTI2022

On the role of dynamic electron correlation in non-orthogonal configuration interaction with fragments

Two different approaches have been implemented to include the effect of dynamic electron correlation in the Non-Orthogonal Configuration Interaction for Fragments (NOCI-F) method. The first is based on shifting the diagonal matrix elements of the NOCI matrix, while the second incorporates the dynamic correlation explicitly in the fragment wave functions used to construct the many-electron basis functions of the NOCI. The two approaches are illustrated for the calculation of the electronic coupling relevant in singlet fission and the coupling of spin moments in organic radicals. Comparison of the calculated diabatic couplings, the NOCI energies and wave functions shows that dynamic electron correlation is not only efficiently but also effectively incorporated by the shifting approach and can largely affect the coupling between electronic states. Additionally, it brings the NOCI coupling of the spin moments in close agreement with benchmark calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗