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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Enhanced dielectric, impedance and magnetic characteristics of Co doped multiferroic Bi{sub 2}Fe{sub 4}O{sub 9}

Multiferroic Bi{sub 2}Fe{sub 4(1-x)}Co{sub 4x}O{sub 9} (x = 0, 0.05) were prepared by conventional solid state reaction route. X-ray diffraction (XRD) result indicated the decrease in lattice parameters due to 5% Co doping. Grain growth in the doped composition was confirmed from surface morphology characterization. Frequency dependent real part of dielectric constant (ε′) at room temperature showed an enhancement of ~70% in doped sample at 1 kHz. A decrease in peak height with doping was noticed from the modulus study. Lastly, room temperature M-H measurement upto 9 T showed induced ferromagnetism in Bi{sub 2}Fe{sub 4}O{sub 9} due to 5% Co doping. The values of remnant magnetization (M{sub r}) and coercive field (H{sub c}) in Bi{sub 2}Fe{sub 3.8}Co{sub 0.2}O{sub 9} was found to be 0.007 µ{sub B}/f.u. and 0.295 kOe respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Cerenkov emission of acoustic phonons electrically generated from three-dimensional Dirac semimetals

Cerenkov acoustic phonon emission is theoretically investigated in a three-dimensional Dirac semimetal (3DDS) when it is driven by a dc electric field E. Numerical calculations are made for Cd{sub 3}As{sub 2} in which mobility and electron concentration are large. We find that Cerenkov emission of acoustic phonons takes place when the electron drift velocity v{sub d} is greater than the sound velocity v{sub s}. This occurs at small E (∼few V/cm) due to large mobility. Frequency (ω{sub q}) and angular (θ) distribution of phonon emission spectrum P(ω{sub q}, θ) are studied for different electron drift velocities v{sub d} (i.e., different E) and electron concentrations n{sub e}. The frequency dependence of P(ω{sub q}, θ) shows a maximum P{sub m}(ω{sub q}, θ) at about ω{sub m} ≈ 1 THz and is found to increase with the increasing v{sub d} and n{sub e}. The value of ω{sub m} shifts to higher region for larger n{sub e}. It is found that ω{sub m}/n{sub e}{sup 1/3} and P{sub m}(ω{sub q}, θ)/n{sub e}{sup 2/3} are nearly constants. The latter is in contrast with the P{sub m}(ω{sub q}, θ)n{sub e}{sup 1/2 }= constant in conventional bulk semiconductor. Each maximum is followed by a vanishing spectrum at nearly “2k{sub f} cutoff,” where k{sub f} is the Fermi wave vector. Angular dependence of P(ω{sub q}, θ) and the intensity P(θ) of the phonon emission shows a maximum at an emission angle 45° and is found to increase with increasing v{sub d}. P(θ) is found to increase linearly with n{sub e} giving the ratio P(θ)/(n{sub e}v{sub d}) nearly a constant. We suggest that it is possible to have the controlled Cerenkov emission and generation of acoustic phonons with the proper choice of E, θ, and n{sub e}. 3DDS with large n{sub e} and mobility can be a good source of acoustic phonon generation in ∼THz regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids—The renormalized ALDA and electron gas kernels

We present calculations of the correlation energies of crystalline solids and isolated systems within the adiabatic-connection fluctuation-dissipation formulation of density-functional theory. We perform a quantitative comparison of a set of model exchange-correlation kernels originally derived for the homogeneous electron gas (HEG), including the recently introduced renormalized adiabatic local-density approximation (rALDA) and also kernels which (a) satisfy known exact limits of the HEG, (b) carry a frequency dependence, or (c) display a 1/k{sup 2} divergence for small wavevectors. After generalizing the kernels to inhomogeneous systems through a reciprocal-space averaging procedure, we calculate the lattice constants and bulk moduli of a test set of 10 solids consisting of tetrahedrally bonded semiconductors (C, Si, SiC), ionic compounds (MgO, LiCl, LiF), and metals (Al, Na, Cu, Pd). We also consider the atomization energy of the H{sub 2} molecule. We compare the results calculated with different kernels to those obtained from the random-phase approximation (RPA) and to experimental measurements. We demonstrate that the model kernels correct the RPA’s tendency to overestimate the magnitude of the correlation energy whilst maintaining a high-accuracy description of structural properties.

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

Approaching exact hyperpolarizabilities via sum-over-states Monte Carlo configuration interaction

We propose using sum-over-states calculations with the compact wavefunctions of Monte Carlo configuration interaction to approach accurate values for higher-order dipole properties up to second hyperpolarizabilities in a controlled way. We apply the approach to small systems that can generally be compared with full configuration interaction (FCI) results. We consider hydrogen fluoride with a 6-31g basis and then look at results, including frequency dependent properties, in an aug-cc-pVDZ basis. We extend one calculation beyond FCI by using an aug-cc-pVTZ basis. The properties of an H{sub 4} molecule with multireference character are calculated in an aug-cc-pVDZ basis. We then investigate this method on a strongly multireference system with a larger FCI space by modelling the properties of carbon monoxide with a stretched geometry. The behavior of the approach with increasing basis size is considered by calculating results for the neon atom using aug-cc-pVDZ to aug-cc-pVQZ. We finally test if the unusual change in polarizability between the first two states of molecular oxygen can be reproduced by this method in a 6-31g basis.

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

Rheological signatures of gelation and effect of shear melting on aging colloidal suspension

Colloidal suspensions that are out of thermodynamic equilibrium undergo physical aging wherein their structure evolves to lower the free energy. In aqueous suspension of Laponite, physical aging accompanies increases of elastic and viscous moduli as a function of time. In this work, we study temporal evolution of elastic and viscous moduli at different frequencies and observe that freshly prepared aqueous suspension of Laponite demonstrates identical rheological behavior reported for the crosslinking polymeric materials undergoing chemical gelation. Consequently at a certain time, tan δ is observed to be independent of frequency. However, for samples preserved under rest condition for longer duration before applying the shear melting, the liquid to solid transition subsequent to shear melting shows greater deviation from classical gelation. We also obtain continuous relaxation time spectra from the frequency dependence of viscous modulus. We observe that, with an increase in the rest time, continuous relaxation time spectrum shows gradual variation from negative slope, describing dominance of fast relaxation modes to positive slope representing dominance of slow relaxation modes. We propose that the deviation from gelation behavior for the shear melted suspensions originates from inability of shear melting to completely break the percolated structure thereby creating unbroken aggregates. The volume fraction of such unbroken aggregates increases with the rest time. For small rest times presence of fewer number of unbroken aggregates cause deviation from the classical gelation. On the other hand, at high rest times presence of greater fraction of unbroken aggregates subsequent to shear melting demonstrate dynamic arrest leading to inversion of relaxation time spectra.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Impacts of surface spins and inter-particle interactions on the magnetism of hollow γ-Fe{sub 2}O{sub 3} nanoparticles

A comparative study of the static and dynamic magnetic properties of polycrystalline hollow γ-Fe{sub 2}O{sub 3} nanoparticles with two distinctly different sizes of 10.3 ± 1.3 nm and 14.8 ± 0.5 nm has been performed. High-resolution TEM images confirmed the crystalline structure and the presence of the shell thickness of 2.17 ± 0.28 nm and 3.25 ± 0.24 nm for the 10 nm and 15 nm particles, respectively. Quantitative fits of the frequency dependent ac susceptibility to the Vogel-Fulcher model, τ = τ{sub o} exp[E{sub a}/k(T − T{sub o})], show stronger inter-particle interactions in the 15 nm nanoparticles than in the 10 nm nanoparticles. A systematic analysis of the room-temperature magnetic loops using the modified Langevin function indicates a stronger effect of disordered surface spins in the 10 nm hollow particles as compared to the 15 nm hollow particles. Our study suggests that while the effect of disordered surface spins dominates the magnetic behavior of the 10 nm hollow particles, both the disordered surface spins and inter-particle interactions contribute to the magnetism of the 15 nm hollow particles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Reconstruction of the conduction band in metallic hydrogen sulfide

The theory of the normal properties of a metal generalized to the case of particular properties of an electron band with a finite width for electron–phonon systems with a varying electron density of states has been used to study the normal state of the SH{sub 3} phase of hydrogen sulfide at a pressure of 225 GPa and a temperature of 200 K. The frequency dependences of the real, ReΣ(ω), and imaginary, ImΣ(ω), parts of the selfenergy part of the Green’s function of the electron Σ(ω), as well as the electron density of states N(ε) of the Im–3m stable orthorhombic structure of SH{sub 3} hydrogen sulfide at a pressure of P = 225 GPa, which is renormalized by the strong electron–phonon coupling, have been calculated. It has been established that a part of the electron conduction band of the SH{sub 3} phase of hydrogen sulfide adjacent to the Fermi level undergoes renormalization-induced reconstruction in the form of a number of energy pockets with the widths equal to fractions of the characteristic phonon energies of the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Spin wave eigenmodes in single and coupled sub-150 nm rectangular permalloy dots

We present the results of a Brillouin light scattering investigation of thermally excited spin wave eigenmodes in square arrays of either isolated rectangular dots of permalloy or twins of dipolarly coupled elements, placed side-by-side or head-to-tail. The nanodots, fabricated by e-beam lithography and lift-off, are 20 nm thick and have the major size D in the range between 90 nm and 150 nm. The experimental spectra show the presence of two main peaks, corresponding to modes localized either at the edges or in the center of the dots. Their frequency dependence on the dot size and on the interaction with adjacent elements has been measured and successfully interpreted on the basis of dynamical micromagnetic simulations. The latter enabled us also to describe the spatial profile of the eigenmodes, putting in evidence the effects induced by the dipolar interaction between coupled dots. In particular, in twinned dots the demagnetizing field is appreciably modified in proximity of the “internal edges” if compared to the “external” ones, leading to a splitting of the edge mode. These results can be relevant for the exploitation of sub-150 nm magnetic dots in new applications, such as magnonic metamaterials, bit-patterned storage media, and nano-magnetic logic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Localized overlap algorithm for unexpanded dispersion energies

First-principles-based, linearly scaling algorithm has been developed for calculations of dispersion energies from frequency-dependent density susceptibility (FDDS) functions with account of charge-overlap effects. The transition densities in FDDSs are fitted by a set of auxiliary atom-centered functions. The terms in the dispersion energy expression involving products of such functions are computed using either the unexpanded (exact) formula or from inexpensive asymptotic expansions, depending on the location of these functions relative to the dimer configuration. This approach leads to significant savings of computational resources. In particular, for a dimer consisting of two elongated monomers with 81 atoms each in a head-to-head configuration, the most favorable case for our algorithm, a 43-fold speedup has been achieved while the approximate dispersion energy differs by less than 1% from that computed using the standard unexpanded approach. In contrast, the dispersion energy computed from the distributed asymptotic expansion differs by dozens of percent in the van der Waals minimum region. A further increase of the size of each monomer would result in only small increased costs since all the additional terms would be computed from the asymptotic expansion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Reentrant spin-glass behavior and bipolar exchange-bias effect in “Sn” substituted cobalt-orthotitanate

We report the co-existence of longitudinal ferrimagnetic behavior with Néel temperature T{sub N} ∼ 46.1 K and reentrant transverse spin-glass state at 44.05 K in Tin (Sn) doped cobalt-orthotitanate (Co{sub 2}TiO{sub 4}). The ferrimagnetic ordering is resulting from different magnetic moments of Co{sup 2+} on the A-sites (3.87 μ{sub B}) and B-sites (5.069 μ{sub B}). The magnetic compensation temperature (T{sub COMP}) shifts from 31.74 K to 27.1 K when 40 at. % of “Sn{sup 4+}” substitutes “Ti{sup 4+}” at B-sites where the bulk-magnetization of two-sublattices balance each other. For T > T{sub N}, the dc-magnetic susceptibility (χ{sub dc} = M/H{sub dc}) fits well with the Néel's expression for the two-sublattice model with antiferromagnetic molecular field constants N{sub BB} ∼ 15.44, N{sub AB} ∼ 32.01, and N{sub AA} ∼ 20.88. The frequency dependence of ac-magnetic susceptibility χ{sub ac} data follows the Vogel-Fulcher law, and the power-law of critical slowing-down with “zν” = 6.01 suggests the existence of spin-clusters (where “z” and “ν” being dynamic critical-exponent and correlation length of critical-exponent, respectively). This system exhibits unusual hysteresis loops with large bipolar exchange-bias effect (H{sub EB} ∼ 13.6 kOe at 7 K) after zero-field cooling process from an un-magnetized state, and a dramatic collapse of remanence (M{sub R}) and coercive field (H{sub C}) across T{sub COMP}. The possible origins of such anomalous characteristics were discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

DIRECT MEASUREMENT OF THE X-RAY TIME-DELAY TRANSFER FUNCTION IN ACTIVE GALACTIC NUCLEI

The origin of the observed time lags, in nearby active galactic nuclei (AGNs), between hard and soft X-ray photons is investigated using new XMM-Newton data for the narrow-line Seyfert I galaxy Ark 564 and existing data for 1H 0707-495 and NGC 4051. These AGNs have highly variable X-ray light curves that contain frequent, high peaks of emission. The averaged light curve of the peaks is directly measured from the time series, and it is shown that (1) peaks occur at the same time, within the measurement uncertainties, at all X-ray energies, and (2) there exists a substantial tail of excess emission at hard X-ray energies, which is delayed with respect to the time of the main peak, and is particularly prominent in Ark 564. Observation (1) rules out that the observed lags are caused by Comptonization time delays and disfavors a simple model of propagating fluctuations on the accretion disk. Observation (2) is consistent with time lags caused by Compton-scattering reverberation from material a few thousand light-seconds from the primary X-ray source. The power spectral density and the frequency-dependent phase lags of the peak light curves are consistent with those of the full time series. There is evidence for non-stationarity in the Ark 564 time series in both the Fourier and peaks analyses. A sharp 'negative' lag (variations at hard photon energies lead soft photon energies) observed in Ark 564 appears to be generated by the shape of the hard-band transfer function and does not arise from soft-band reflection of X-rays. These results reinforce the evidence for the existence of X-ray reverberation in type I AGN, which requires that these AGNs are significantly affected by scattering from circumnuclear material a few tens or hundreds of gravitational radii in extent.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

EVIDENCE FOR HIGHLY RELATIVISTIC VELOCITIES IN THE KILOPARSEC-SCALE JET OF THE QUASAR 3C 345

In this paper we use radio polarimetric observations of the jet of the nearby bright quasar 3C 345 to estimate the fluid velocity on kiloparsec scales. The jet is highly polarized, and surprisingly, the electric vector position angles in the jet are 'twisted' with respect to the jet axis. Simple models of magnetized jets are investigated in order to study various possible origins of the electric vector distribution. In a cylindrically symmetric transparent jet a helical magnetic field will appear either transverse or longitudinal due to partial cancellations of Stokes parameters between the front and back of the jet. Synchrotron opacity can break the symmetry, but it leads to fractional polarization less than that observed and to strong frequency dependence that is not seen. Modeling shows that differential Doppler boosting in a diverging jet can break the symmetry, allowing a helical magnetic field to produce a twisted electric vector pattern. Constraints on the jet inclination, magnetic field properties, intrinsic opening angle, and fluid velocities are obtained and show that highly relativistic speeds ({beta} {approx}> 0.95) are required. This is consistent with the observed jet opening angle, with the absence of a counter-jet, with the polarization of the knots at the end of the jet, and with some inverse-Compton models for the X-ray emission from the 3C 345 jet. This model can also apply on parsec scales and may help explain those sources where the electric vector position angles in the jet are neither parallel nor transverse to the jet axis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

BAYESIAN SEMI-BLIND COMPONENT SEPARATION FOR FOREGROUND REMOVAL IN INTERFEROMETRIC 21 cm OBSERVATIONS

In this paper, we present a new Bayesian semi-blind approach for foreground removal in observations of the 21 cm signal measured by interferometers. The technique, which we call H i Expectation–Maximization Independent Component Analysis (HIEMICA), is an extension of the Independent Component Analysis technique developed for two-dimensional (2D) cosmic microwave background maps to three-dimensional (3D) 21 cm cosmological signals measured by interferometers. This technique provides a fully Bayesian inference of power spectra and maps and separates the foregrounds from the signal based on the diversity of their power spectra. Relying only on the statistical independence of the components, this approach can jointly estimate the 3D power spectrum of the 21 cm signal, as well as the 2D angular power spectrum and the frequency dependence of each foreground component, without any prior assumptions about the foregrounds. This approach has been tested extensively by applying it to mock data from interferometric 21 cm intensity mapping observations under idealized assumptions of instrumental effects. We also discuss the impact when the noise properties are not known completely. As a first step toward solving the 21 cm power spectrum analysis problem, we compare the semi-blind HIEMICA technique to the commonly used Principal Component Analysis. Under the same idealized circumstances, the proposed technique provides significantly improved recovery of the power spectrum. This technique can be applied in a straightforward manner to all 21 cm interferometric observations, including epoch of reionization measurements, and can be extended to single-dish observations as well.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Manipulation of polar order in the “empty” tetragonal tungsten bronzes: Ba{sub 4-x}Sr{sub x}Dy{sub 0.67}□{sub 1.33}Nb{sub 10}O{sub 30}, x = 0, 0.25, 0.5, 1, 2, 3

A series of “empty” tetragonal tungsten bronze (TTB) ferroelectrics, Ba{sub 4-x}Sr{sub x}Dy{sub 0.67}□{sub 1.33}Nb{sub 10}O{sub 30} (x = 0, 0.25, 0.5, 1, 2, 3; □ = vacancy), is reported. With increasing x the unit cell contracts in both the ab plane and c-axis; x ≤ 1 compounds are normal ferroelectrics (FE) with decreasing T{sub C} as x increases, while x ≥ 2 are relaxor ferroelectrics (RFE) with associated frequency dependent permittivity peaks and with similar T{sub m} and T{sub f} (Vogel-Fulcher freezing temperatures) values. This observation is rationalised by differing cation occupancies: for x ≤ 1, Sr{sup 2+} principally occupies the A2-site (co-occupied by Ba{sup 2+} with the A1-site occupied by Dy{sup 3+} and vacancies); for x ≥ 2 significant Sr A1-site occupation leads to the observed RFE characteristics. This FE to RFE crossover is consistent with a previously proposed TTB crystal chemical framework where both a decrease in average A-site size and concurrent increase in A1-site tolerance factor (t{sub A1}) favour destabilization of long range polar order and relaxor behaviour. The effect of increasing t{sub A1} as a result of Sr occupancy at the A1 site is dominant in the compounds reported here.

36 MATERIALS SCIENCE↗
DOE OSTI2012

PULSE INTENSITY MODULATION AND THE TIMING STABILITY OF MILLISECOND PULSARS: A CASE STUDY OF PSR J1713+0747

Most millisecond pulsars, like essentially all other radio pulsars, show timing errors well in excess of what is expected from additive radiometer noise alone. We show that changes in amplitude, shape, and pulse phase for the millisecond pulsar J1713+0747 cause this excess error. These changes appear to be uncorrelated from one pulse period to the next. The resulting time of arrival (TOA) variations are correlated across a wide frequency range and is observed with different backend processors on different days, confirming that they are intrinsic in origin and not an instrumental effect or caused by strongly frequency-dependent interstellar scattering. Centroids of single pulses show an rms phase variation Almost-Equal-To 40 {mu}s, which dominates the timing error and is the same phase jitter phenomenon long known in slower spinning, canonical pulsars. We show that the amplitude modulations of single pulses are modestly correlated with their arrival time fluctuations. We also demonstrate that single-pulse variations are completely consistent with arrival time variations of pulse profiles obtained by integrating N pulses such that the arrival-time error decreases proportional to 1/{radical}N. We investigate methods for correcting TOAs for these pulse-shape changes, including multi-component TOA fitting and principal component analysis. These techniques are not found to improve the timing precision of the observations. We conclude that when pulse-shape changes dominate timing errors, the timing precision of PSR J1713+0747 can be only improved by averaging over a larger number of pulses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

RECONCILING MODELS OF LUMINOUS BLAZARS WITH MAGNETIC FLUXES DETERMINED BY RADIO CORE-SHIFT MEASUREMENTS

Estimates of magnetic field strength in relativistic jets of active galactic nuclei, obtained by measuring the frequency-dependent radio core location, imply that the total magnetic fluxes in those jets are consistent with the predictions of the magnetically arrested disk (MAD) scenario of jet formation. On the other hand, the magnetic field strength determines the luminosity of the synchrotron radiation, which forms the low-energy bump of the observed blazar spectral energy distribution (SED). The SEDs of the most powerful blazars are strongly dominated by the high-energy bump, which is most likely due to the external radiation Compton mechanism. This high Compton dominance may be difficult to reconcile with the MAD scenario, unless (1) the geometry of external radiation sources (broad-line region, hot-dust torus) is quasi-spherical rather than flat, or (2) most gamma-ray radiation is produced in jet regions of low magnetization, e.g., in magnetic reconnection layers or in fast jet spines.

79 ASTRONOMY AND ASTROPHYSICS↗