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At least 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Precision ephemerides for gravitational-wave searches. I. Sco X-1

Rapidly rotating neutron stars are the only candidates for persistent high-frequency gravitational wave emission, for which a targeted search can be performed based on the spin period measured from electromagnetic (e.g., radio and X-ray) observations. The principal factor determining the sensitivity of such searches is the measurement precision of the physical parameters of the system. Neutron stars in X-ray binaries present additional computational demands for searches due to the uncertainty in the binary parameters. We present the results of a pilot study with the goal of improving the measurement precision of binary orbital parameters for candidate gravitational wave sources. We observed the optical counterpart of Sco X-1 in 2011 June with the William Herschel Telescope and also made use of Very Large Telescope observations in 2011 to provide an additional epoch of radial-velocity measurements to earlier measurements in 1999. From a circular orbit fit to the combined data set, we obtained an improvement of a factor of 2 in the orbital period precision and a factor of 2.5 in the epoch of inferior conjunction T {sub 0}. While the new orbital period is consistent with the previous value of Gottlieb et al., the new T {sub 0} (and the amplitude of variation of the Bowen line velocities) exhibited a significant shift, which we attribute to variations in the emission geometry with epoch. We propagate the uncertainties on these parameters through to the expected Advanced LIGO-Virgo detector network observation epochs and quantify the improvement obtained with additional optical observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Correlated impurities and intrinsic spin-liquid physics in the kagome material herbertsmithite

Low energy inelastic neutron scattering on single crystals of the kagome spin-liquid compound ZnCu 3 (OD) 6 Cl 2 (herbertsmithite) reveals in this paper antiferromagnetic correlations between impurity spins for energy transfers h(with stroke)ω < 0.8 meV (~ J/20). The momentum dependence differs significantly from higher energy scattering which arises from the intrinsic kagome spins. The low energy fluctuations are characterized by diffuse scattering near wave vectors (100) and (00 3/2), which is consistent with antiferromagnetic correlations between pairs of nearest-neighbor Cu impurities on adjacent triangular (Zn) interlayers. The corresponding impurity lattice resembles a simple cubic lattice in the dilute limit below the percolation threshold. Such an impurity model can describe prior neutron, NMR, and specific heat data. The low energy neutron data are consistent with the presence of a small spin gap (Δ ~ 0.7 meV) in the kagome layers, similar to that recently observed by NMR. Finally, the ability to distinguish the scattering due to Cu impurities from that of the planar kagome Cu spins provides an important avenue for probing intrinsic spin-liquid physics.

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.↗
DOE OSTI2016

Solving puzzles of GW150914 by primordial black holes

The black hole binary properties inferred from the LIGO gravitational wave signal GW150914 posed several serious problems. The high masses and low effective spin of black hole binary can be explained if they are primordial (PBH) rather than the products of the stellar binary evolution. Such PBH properties are postulated ad hoc but not derived from fundamental theory. We show that the necessary features of PBHs naturally follow from the slightly modified Affleck-Dine (AD) mechanism of baryogenesis. The log-normal distribution of PBHs, predicted within the AD paradigm, is adjusted to provide an abundant population of low-spin stellar mass black holes. The same distribution gives a sufficient number of quickly growing seeds of supermassive black holes observed at high redshifts and may comprise an appreciable fraction of Dark Matter which does not contradict any existing observational limits. Testable predictions of this scenario are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
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 OSTI2014

Exploring intertwined orders in cuprate superconductors

In this study, the concept of intertwined orders has been introduced to describe the cooperative relationship between antiferromagnetic spin correlations and electron (or hole) pair correlations that develop in copper-oxide superconductors. This contrasts with systems in which, for example, charge-density-wave (CDW) order competes for Fermi surface area with superconductivity. La 2-x Ba x CuO 4 with x = 0.125 provides an example in which the ordering of spin stripes coincides with the onset of two-dimensional superconducting correlations. The apparent frustration of the interlayer Josephson coupling has motivated the concept of the pair-density-wave superconductor, a state that theoretical calculations show to be energetically competitive with the uniform d-wave superconductor. Even at x = 0.095, where there is robust superconductivity below 32 K in zero field, the coexistence of strong, low-energy, incommensurate spin excitations implies a spatially modulated and intertwined pair wave function. Recent observations of CDW order in YBa 2 Cu 3 O 6+x and other cuprate families have raised interesting questions regarding the general role of charge modulations and the relation to superconductivity. While there are differences in the doping dependence of the modulation wave vectors in YBa 2 Cu 3 O 6+x and La 2-x Ba x CuO 4 , the maximum ordering strength is peaked at the hole concentration of 1/8 in both cases. There are also possible connections with the quantum oscillations that have been detected about the same hole concentration but at high magnetic fields. Resolving these relationships remains a research challenge.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Dynamics of reverse annealing for the fully connected p -spin model

Reverse annealing is a relatively new variant of quantum annealing in which one starts from a classical state and increases and then decreases the amplitude of the transverse field, in the hope of finding a better classical state than the initial state for a given optimization problem. We numerically study the unitary quantum dynamics of reverse annealing for the mean-field-type p -spin model and show that the results are consistent with the predictions of equilibrium statistical mechanics. In particular, we corroborate the equilibrium analysis prediction that reverse annealing provides an exponential speedup over conventional quantum annealing in terms of solving the p -spin model. This lends support to the expectation that equilibrium analyses are effective at revealing essential aspects of the dynamics of quantum annealing. We also compare the results of quantum dynamics with the corresponding classical dynamics to reveal their similarities and differences. We distinguish between two reverse annealing protocols we call adiabatic and iterated reverse annealing. We further show that iterated reverse annealing, as has been realized in the D-Wave device, is ineffective in the case of the p-spin model but note that a recently introduced protocol (“ h -gain”), which implements adiabatic reverse annealing, may lead to improved performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Evidence of Spin Frustration in a Vanadium Diselenide Monolayer Magnet

Monolayer VSe 2 , featuring both charge density wave and magnetism phenomena, represents a unique van der Waals magnet in the family of metallic 2D transition-metal dichalcogenides (2D-TMDs). Herein, by means of in situ microscopy and spectroscopic techniques, including scanning tunneling microscopy/spectroscopy, synchrotron X-ray and angle-resolved photoemission, and X-ray absorption, direct spectroscopic signatures are established, that identify the metallic 1T-phase and vanadium 3d1 electronic configuration in monolayer VSe 2 grown on graphite by molecular-beam epitaxy. Element-specific X-ray magnetic circular dichroism, complemented with magnetic susceptibility measurements, further reveals monolayer VSe 2 as a frustrated magnet, with its spins exhibiting subtle correlations, albeit in the absence of a long-range magnetic order down to 2 K and up to a 7 T magnetic field. This observation is attributed to the relative stability of the ferromagnetic and antiferromagnetic ground states, arising from its atomic-scale structural features, such as rotational disorders and edges. Finally, the results of this study extend the current understanding of metallic 2D-TMDs in the search for exotic low-dimensional quantum phenomena, and stimulate further theoretical and experimental studies on van der Waals monolayer magnets.

2D materials↗
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↗
DOE OSTI2018

Singlet superconductivity in a single-crystal NiBi 3 superconductor

Andreev reflection spectroscopy with unpolarized and highly spin-polarized currents has been utilized to study an intermetallic single-crystal superconductor NiBi3. Magnetoresistance at zero bias voltage of point contacts shows the occurrence and suppression of Andreev reflection by unpolarized and polarized current, respectively. The gap value, its symmetry and temperature dependence have been determined using an unpolarized current. The spin state in the NiBi3 sample is determined to be antiparallel using a highly spin-polarized current. The gap value 2Δ/k B T, gap symmetry and its temperature dependence, combined with the antiparallel spin state show that the bulk NiBi3 is a singlet s-wave superconductor.

phonons, thermal conductivity, thermoelectric, spi↗
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 OSTI2012

A method for EIA scoping of wave energy converters-based on classification of the used technology

During the first decade of the 21st Century the World faces spread concern for global warming caused by rise of green house gasses produced mainly by combustion of fossil fuels. Under this latest spin all renewable energies run parallel in order to achieve sustainable development. Among them wave energy has an unequivocal potential and technology is ready to enter the market and contribute to the renewable energy sector. Yet, frameworks and regulations for wave energy development are not fully ready, experiencing a setback caused by lack of understanding of the interaction of the technologies and marine environment, lack of coordination from the competent Authorities regulating device deployment and conflicts of maritime areas utilization. The EIA within the consent process is central in the realization of full scale devices and often is the meeting point for technology, politics and public. This paper presents the development of a classification of wave energy converters that is based on the different impact the technologies are expected to have on the environment. This innovative classification can be used in order to simplify the scoping process for developers and authorities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
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↗
DOE OSTI2022

Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers

The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wave functions that are relevant in the behavior of the system under study. Hamiltonian symmetries are important instruments used to classify relevant many-particle wave functions and to improve the efficiency of numerical simulations. In this work, quantum circuits for the exact and approximate preparation of total spin eigenfunctions on quantum computers are presented. Two different strategies are discussed and compared: exact recursive construction of total spin eigenfunctions based on the addition theorem of angular momentum, and heuristic approximation of total spin eigenfunctions based on the variational optimization of a suitable cost function. The construction of these quantum circuits is illustrated in detail, and the preparation of total spin eigenfunctions is demonstrated on IBM quantum devices, focusing on three- and five-spin systems on graphs with triangle connectivity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Results from the Atacama B-mode Search (ABS) experiment

We report the Atacama B-mode Search is an experiment designed to measure the cosmic microwave background polarization at large angular scales (0ℓ>4). It observes at 145 GHz from a site at 5,190 m elevation in northern Chile. The noise equivalent polarization temperature, or NEQ, is 41 μK√s. One of the unique features of ABS is its use of a rapidly rotating ambient-temperature half-wave plate (HWP) {as the first optical element}. {The HWP spins} at 2.55 Hz to modulate the incident polarized signal at frequencies above where instrument white noise dominates over atmospheric fluctuations and other sources of low-frequency noise. We report here on the analysis of data from a 2,400 deg 2 region of sky. We perform a blind analysis to reduce potential bias. After unblinding, we find agreement with the Planck TE and EE measurements on the same region of sky, {with a derived calibration factor of 00.89 ± 0.1}. We marginally detect polarized dust emission {(at 3.2 σ for EE and 2.2 σ for BB)} and give an upper limit on the tensor-to-scalar ratio of r<2.3 (95% confidence level) with the equivalent of 100 on-sky days of observation. Finally, we also present a new measurement of the polarization of Tau A and introduce new methods for calibration and data analysis associated with HWP-based observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Ab Initio Study of Structural, Electronic, and Magnetic Properties of A{sub 1−x}{sup III}Mn{sub x}B{sup VI}: In{sub 1−x}Mn{sub x}S-Diluted Magnetic Semiconductor

First-principles density functional calculations on the new class of diluted magnetic semiconductor A{sub 1−x}{sup III}Mn{sub x}B{sup VI} In{sub 1−x}Mn{sub x}S for x = 0.25 and 0.5 are investigated to study the structural, electronic, and magnetic properties, employing the full-potential linearized augmented plane wave method. Electronic band structures and density of states revealed a half-metallic character of In{sub 1−x}Mn{sub x}S and show the stability of anti-ferromagnetic states as compared with ferromagnetic states. The calculated exchange constants J{sub dd} are in good agreement with experimental and theoretical results on magnetic properties of single crystalline A{sub 1−x}{sup III}Mn{sub x}B{sup VI} in the anti-ferromagnetic case. Our predicated calculations on the s,p-d exchange constants N{sub 0}α and N{sub 0}β show that they are lower than in A{sub 1−x}{sup II}Mn{sub x}B{sup VI} DMS. The local environment is found tetrahedral as in the II–VI DMS and other (III,Mn) VI compounds. The total magnetic moment for In{sub 1−x}Mn{sub x}S for different concentrations is in accordance with the exact value 5 μ{sub B} and comes mainly from impurity Mn. The local magnetic moments of Mn ions are reduced from their free space charges values due to the p-d hybridization which produces small magnetic moments on the nonmagnetic In and S sites. The Curie temperature of In{sub 1−x}Mn{sub x}S is calculated within the mean field approximation and compared with other DMS systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Invariant exchange perturbation theory for multicenter systems and its application to the calculation of magnetic chains in manganites

The formalism of exchange perturbation theory is presented with regard to the general principles of constructing an antisymmetric vector with the use of the Young diagrams and tableaux in which the coordinate and spin parts are not separated. The form of the energy and wave function corrections coincides with earlier obtained expressions, which are reduced in the present paper to a simpler form of a symmetry-adapted perturbation operator, which preserves all intercenter exchange contributions. The exchange perturbation theory (EPT) formalism itself is presented in the standard form of invariant perturbation theory that takes into account intercenter electron permutations between overlapping nonorthogonal states. As an example of application of the formalism of invariant perturbation theory, we consider the magnetic properties of perovskite manganites La{sub 1/3}Ca{sub 2/3}MnO{sub 3} that are associated with the charge and spin ordering in magnetic chains of manganese. We try to interpret the experimental results obtained from the study of the effect of doping the above alloys by the model of superexchange interaction in manganite chains that is constructed on the basis of the exchange perturbation theory (EPT) formalism. The model proposed makes it possible to carry out a quantitative analysis of the effect of substitution of manganese atoms by doping elements with different electron configurations on the electronic structure and short-range order in a magnetic chain of manganites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗