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At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Potential energy curves for the ground and low-lying excited states of CuAg

The ground and low-lying excited states of heteronuclear diatomic CuAg are examined by multi-reference configuration interaction (MRCI) method. Relativistic effects were treated and probed in two steps. Scalar terms were considered using the spin-free DKH Hamiltonian as a priori and spin-orbit coupling was calculated perturbatively via the spin-orbit terms of the Breit-Pauli Hamiltonian based on MRCI wavefunctions. Potential energy curves of the spin-free states and their corresponding Ω components correlating with the separated atom limits {sup 2}S(Cu) + {sup 2}S(Ag) and {sup 2}D(Cu) + {sup 2}S(Ag) are obtained. The results are in fine agreement with the experimental measurements and tentative conclusions for the ion-pair B0{sup +} state are confirmed by our theoretical calculations. Illustrative results are presented to reveal the relative importance and magnitude of the scalar and spin-orbit effects on the spectroscopic properties of this molecule. Time dependent density functional theory calculations, using the LDA, BLYP, B3LYP, and SAOP functionals have been carried out for CuAg and the accuracy of TD-DFT has been compared with ab initio results.

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

Frequency stabilization of spin-torque-driven oscillations by coupling with a magnetic nonlinear resonator

The fundamental function of any oscillator is to produce a waveform with a stable frequency. Here, we show a method of frequency stabilization for spin-torque nano-oscillators (STNOs) that relies on coupling with an adjacent nanomagnet through the magnetic dipole–dipole interaction. It is numerically demonstrated that highly stable oscillations occur as a result of mutual feedback between an STNO and a nanomagnet. The nanomagnet acts as a nonlinear resonator for the STNO. This method is based on the nonlinear behavior of the resonator and can be considered as a magnetic analogue of an optimization scheme in nanoelectromechanical systems. The oscillation frequency is most stabilized when the nanomagnet is driven at a special feedback point at which the feedback noise between the STNO and resonator is completely eliminated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Dynamical cancellation of pulse-induced transients in a metallic shielded room for ultra-low-field magnetic resonance imaging

Pulse-induced transients such as eddy currents can cause problems in measurement techniques where a signal is acquired after an applied preparatory pulse. In ultra-low-field magnetic resonance imaging, performed in magnetic fields typically of the order of 100 μT, the signal-to-noise ratio is enhanced in part by prepolarizing the proton spins with a pulse of much larger magnetic field and in part by detecting the signal with a Superconducting QUantum Interference Device (SQUID). The pulse turn-off, however, can induce large eddy currents in the shielded room, producing an inhomogeneous magnetic-field transient that both seriously distorts the spin dynamics and exceeds the range of the SQUID readout. It is essential to reduce this transient substantially before image acquisition. We introduce dynamical cancellation (DynaCan), a technique in which a precisely designed current waveform is applied to a separate coil during the later part and turn off of the polarizing pulse. This waveform, which bears no resemblance to the polarizing pulse, is designed to drive the eddy currents to zero at the precise moment that the polarizing field becomes zero. We present the theory used to optimize the waveform using a detailed computational model with corrections from measured magnetic-field transients. SQUID-based measurements with DynaCan demonstrate a cancellation of 99%. Dynamical cancellation has the great advantage that, for a given system, the cancellation accuracy can be optimized in software. This technique can be applied to both metal and high-permeability alloy shielded rooms, and even to transients other than eddy currents.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

Spin Orbit Coupling (SOC) is introduced to molecular ab initio density matrix renormalization group (DMRG) calculations. In the presented scheme, one first approximates the electronic ground state and a number of excited states of the Born-Oppenheimer (BO) Hamiltonian with the aid of the DMRG algorithm. Owing to the spin-adaptation of the algorithm, the total spin S is a good quantum number for these states. After the non-relativistic DMRG calculation is finished, all magnetic sublevels of the calculated states are constructed explicitly, and the SOC operator is expanded in the resulting basis. To this end, spin orbit coupled energies and wavefunctions are obtained as eigenvalues and eigenfunctions of the full Hamiltonian matrix which is composed of the SOC operator matrix and the BO Hamiltonian matrix. This treatment corresponds to a quasi-degenerate perturbation theory approach and can be regarded as the molecular equivalent to atomic Russell-Saunders coupling. For the evaluation of SOC matrix elements, the full Breit-Pauli SOC Hamiltonian is approximated by the widely used spin-orbit mean field operator. This operator allows for an efficient use of the second quantized triplet replacement operators that are readily generated during the non-relativistic DMRG algorithm, together with the Wigner-Eckart theorem. With a set of spin-orbit coupled wavefunctions at hand, the molecular g-tensors are calculated following the scheme proposed by Gerloch and McMeeking. It interprets the effective molecular g-values as the slope of the energy difference between the lowest Kramers pair with respect to the strength of the applied magnetic field. Test calculations on a chemically relevant Mo complex demonstrate the capabilities of the presented method.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Frequency spirals

We study the dynamics of coupled phase oscillators on a two-dimensional Kuramoto lattice with periodic boundary conditions. For coupling strengths just below the transition to global phase-locking, we find localized spatiotemporal patterns that we call “frequency spirals.” These patterns cannot be seen under time averaging; they become visible only when we examine the spatial variation of the oscillators' instantaneous frequencies, where they manifest themselves as two-armed rotating spirals. In the more familiar phase representation, they appear as wobbly periodic patterns surrounding a phase vortex. Unlike the stationary phase vortices seen in magnetic spin systems, or the rotating spiral waves seen in reaction-diffusion systems, frequency spirals librate: the phases of the oscillators surrounding the central vortex move forward and then backward, executing a periodic motion with zero winding number. We construct the simplest frequency spiral and characterize its properties using analytical and numerical methods. Simulations show that frequency spirals in large lattices behave much like this simple prototype.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Magnetoelastic effects in the hyperhoneycomb Kitaev spin liquid

In recent years, several magnetic Mott insulators with strong spin-orbit coupling were suggested to be proximate to the Kitaev quantum spin liquid, whose one of the most exciting features is the fractionalization of spin excitations into itinerant Majorana fermions and static Z 2 fluxes. Unfortunately, the ground states of these systems cannot be easily captured by experiment, remaining featureless to conventional local probes. Here, we propose to study the signatures of fractionalized excitations by exploiting their coupling to the lattice vibrations, dubbed magnetoelastic coupling, which arises from the fact that the interaction between spins depends on the relative distance between them. We argue that the magnetoelastic coupling can lead to the distinct modification of the phonon dynamics, which can be observed by measuring renormalized phonon spectrum, the sound attenuation, and the phonon Hall viscosity. This makes the phonon dynamics a promising tool for the characterization and identification of quantum spin liquid phases. In this work, we focus on the magnetoelastic effects in the three-dimensional Kitaev model realized on the hyperhoneycomb lattice. Here, the hyperhoneycomb Kitaev spin liquid is particularly interesting since the strong Kitaev interaction was observed in the Kitaev magnet β-Li 2 IrO 3 , for which the spin-orbit entangled J eff = 1/2 moments of iridium ions form precisely the hyperhoneycomb lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

VARIABLE GAMMA-RAY EMISSION FROM THE CRAB NEBULA: SHORT FLARES AND LONG 'WAVES'

Gamma-ray emission from the Crab Nebula has been recently shown to be unsteady. In this paper, we study the flux and spectral variability of the Crab above 100 MeV on different timescales ranging from days to weeks. In addition to the four main intense and day-long flares detected by AGILE and Fermi-LAT between 2007 September and 2012 September, we find evidence for week-long and less intense episodes of enhanced gamma-ray emission that we call 'waves'. Statistically significant 'waves' show timescales of 1-2 weeks, and can occur by themselves or in association with shorter flares. We present a refined flux and spectral analysis of the 2007 September-October gamma-ray enhancement episode detected by AGILE that shows both 'wave' and flaring behavior. We extend our analysis to the publicly available Fermi-LAT data set and show that several additional 'wave' episodes can be identified. We discuss the spectral properties of the 2007 September 'wave'/flare event and show that the physical properties of the 'waves' are intermediate between steady and flaring states. Plasma instabilities inducing 'waves' appear to involve spatial distances l {approx} 10{sup 16} cm and enhanced magnetic fields B {approx} (0.5-1) mG. Day-long flares are characterized by smaller distances and larger local magnetic fields. Typically, the deduced total energy associated with the 'wave' phenomenon (E{sub w} {approx} 10{sup 42} erg, where E{sub w} is the kinetic energy of the emitting particles) is comparable with that associated to the flares, and can reach a few percent of the total available pulsar spin-down energy. Most likely, flares and waves are the product of the same class of plasma instabilities that we show acting on different timescales and radiation intensities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Photons from dark photon solitons via parametric resonance

Wave-like dark matter made of spin-1 particles (dark photons) is expected to form ground state clumps called "vector solitons", which can have different polarizations. Here, in this work, we consider the interaction of dark photons with photons, expressed as dimension-6 operators, and study the electromagnetic radiation that arises from an isolated vector soliton due to parametric resonant amplification of the ambient electromagnetic field. We characterize the directional dependence and polarization of the outgoing radiation, which depends on the operator as well as the polarization state of the underlying vector soliton. We discuss the implications of this radiation for the stability of solitons and as a possible channel for detecting mergers of vector solitons through astrophysical observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Spontaneous Nernst effect in the iron-based superconductor Fe 1+y Te 1–x Se x

We present a study of the Nernst effect in an iron-based superconductor with a nontrivial band topology Fe 1+y Te 1–x Se x . A nonzero Nernst signal is observed in a narrow temperature region around the superconducting transition temperature Tc at a zero field. This anomalous Nernst signal shows symmetric dependence on the external magnetic field and indicates an unconventional vortex contribution in an s-wave superconductor with a strong spin-orbit coupling, which is originated from the local magnetic moments of the interstitial Fe atoms. Furthermore, our experiments also provide the first evidence of a locally broken time-reversal symmetry in bulk Fe 1+y Te 1–x Se x single crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Convergence of nuclear effective field theory with perturbative pions

The classic paper by Fleming, Mehen, and Stewart (FMS) cast doubts on the convergence of spin-triplet nucleon-nucleon partial wave scattering amplitudes when following the proposal of Kaplan, Savage, and Wise to construct nuclear effective field theory (EFT) around the unitary fermion limit with perturbative pion exchange. FMS identified the subclass of iterated one-pion exchange potential graphs as the cause of this poor convergence, which they showed persisted in the chiral limit. Theoretical tools are developed in this work to compute these Feynman graphs analytically to high order in all angular momentum channels simultaneously, examining the amplitudes computed to seven loops in the $\textit{L = J}$ channels and three loops in the coupled $\textit{L = J}$ ± 1 channels. One finds that there is nothing pathological about the perturbative expansion of a 1/$r^3$ potential in general and that the expansion converges satisfactorily in all partial waves except those with the lowest angular momentum, particularly the $^3P_0$ and the coupled $^3S_1 - ^3D_1$ channels. The results corroborate work by Birse, which suggests possible avenues to explore for improving the range of validity of the EFT expansion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Neutron transfer reactions on the ground state and isomeric state of a 130 Sn beam

The structure of nuclei around the neutron-rich nucleus 132 Sn is of particular interest due to the vicinity of the Z = 50 and N = 82 shell closures and the r-process nucleosynthetic path. Four states in 131 Sn with a strong single-particle-like component have previously been studied via the (d,p) reaction, with limited excitation energy resolution. Here, the 130 Sn( 9 Be, 8 Be) 131 Sn and 130 Sn( 13 C, 12 C) 131 Sn single-neutron transfer reactions were performed in inverse kinematics at the Holifield Radioactive Ion Beam Facility using particle-γ coincidence spectroscopy. The uncertainties in the energies of the single-particle-like states have been reduced by more than an order of magnitude using the energies of γ rays. The previous tentative J π values have been confirmed. Decays from high-spin states in 131 Sn have been observed following transfer on the isomeric component of the 130 Sn beam. The improved energies and confirmed spin-parities of the p-wave states important to the r-process lead to direct-semidirect cross-sections for neutron capture on the ground state of 130 Sn at 30 keV that are in agreement with previous analyses. A similar assessment of the impact of neutron-transfer on the isomer would require significant nuclear structure and reaction theory input. There are few measurements of transfer reaction on isomers, and this is the first on an isomer in the 132 Sn region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1994

Whistler mode waves in the Jovian magnetosheath

During the Ulysses flyby of Jupiter in February 1992, the spacecraft traversed the Jovian magnetosheath for a few hours during the inbound pass and for aa few days during the outbound pass. Burstlike electomagnetic waves at frequencies of approximately 0.1-0.4 of the local electron cyclotron frequency have been observed by the Unified Radio and Plasma Wave (URAP) experiement. The waves were more often observed in the regions which were probably the outer or the middle magnetosheath, especially near the bow shock, and rarely seen in the magnetosphere/magnetosheath boundary layer. The propagation angles of the waves are estimated by comparing the measurements of the wave electric and magnetic fields in the spacecraft spin plane with the corresponding values calculated using the cold plasma dispersion relation under local field and plasma conditions. It is found that the waves propagate obliquely with wave angles between approximately 30 deg and 50 deg. These waves are likely to be the whistler mode waves which are excited by suprathermal electrons with a few hundred eV and a slight anisotropy (T(sub perp)/T(sub parallel) approximately 1.1-1.5). They are probably similar in nature to the lion roars observed in the Earth's magnetosheath. Signature of coupling between the mirror and the whistler mode have also been observed. The plasma conditions which favor the excitation of the whistler mode instability during the wave events exists as observed by the plasma experiement of Ulysses.

Lin, Naiguo↗
NASA NTRS2012

Search for Gravitational Waves from Intermediate Mass Binary Black Holes

We present the results of a weakly modeled burst search for gravitational waves from mergers of non-spinning intermediate mass black holes (IMBH) in the total mass range 100-450 solar Mass and with the component mass ratios between 1:1 and 4:1. The search was conducted on data collected by the LIGO and Virgo detectors between November of 2005 and October of 2007. No plausible signals were observed by the search which constrains the astrophysical rates of the IMBH mergers as a function of the component masses. In the most efficiently detected bin centered on 88 + 88 solar Mass , for non-spinning sources, the rate density upper limit is 0.13 per Mpc(exp 3) per Myr at the 90% confidence level.

Blackburn, L.↗
DOE OSTI2018

Ab Initio Study of the Electronic Structure, Elastic Properties, Magnetic Feature and Thermodynamic Properties of the Ba{sub 2}NiMoO{sub 6} Material

We report first-principles calculations of the elastic properties, electronic structure and magnetic behavior performed over the Ba{sub 2}NiMoO{sub 6} double perovskite. Calculations are carried out through the full-potential linear augmented plane-wave method within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient and Local Density Approximations, including spin polarization. The elastic properties calculated are bulk modulus (B), the elastic constants (C{sub 11}, C{sub 12} and C{sub 44}), the Zener anisotropy factor (A), the isotropic shear modulus (G), the Young modulus (Y) and the Poisson ratio (υ). Structural parameters, total energies and cohesive properties of the perovskite are studied by means of minimization of internal parameters with the Murnaghan equation, where the structural parameters are in good agreement with experimental data. Furthermore, we have explored different antiferromagnetic configurations in order to describe the magnetic ground state of this compound. The pressure and temperature dependence of specific heat, thermal expansion coefficient, Debye temperature and Grüneisen parameter were calculated by DFT from the state equation using the quasi-harmonic model of Debye. A specific heat behavior C{sub V} ≈ C{sub P} was found at temperatures below T = 400 K, with Dulong–Petit limit values, which is higher than those, reported for simple perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Quantum magnetism with polar alkali-metal dimers

We show that dipolar interactions between ultracold polar alkali-metal dimers in optical lattices can be used to realize a highly tunable generalization of the t-J model, which we refer to as the t-J-V-W model. The model features long-range spin-spin interactions J{sub z} and J{sub perpendicular} of XXZ type, long-range density-density interaction V, and long-range density-spin interaction W, all of which can be controlled in both magnitude and sign independently of each other and of the tunneling t. The spin's is encoded in the rotational degree of freedom of the molecules, while the interactions are controlled by applied static electric and continuous-wave microwave fields. Furthermore, we show that nuclear spins of the molecules can be used to implement an additional (orbital) degree of freedom that is coupled to the original rotational degree of freedom in a tunable way. The presented system is expected to exhibit exotic physics and to provide insights into strongly correlated phenomena in condensed-matter systems. Realistic experimental imperfections are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗