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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Ceramic-polymer nanocomposites with increased dielectric permittivity and low dielectric loss

The use of lead free materials in device fabrication is very essential from environmental point of view. We have synthesized the lead free ferroelectric polymer nanocomposite films with increased dielectric properties. Lead free bismuth titanate has been used as active ceramic nanofillers having crystallite size 24nm and PVDF as the polymer matrix. Ferroelectric β-phase of the polymer composite films was confirmed by X-ray diffraction pattern. Mapping data confirms the homogeneous dispersion of ceramic particles into the polymer matrix. Frequency dependent dielectric constant increases up to 43.4 at 100Hz, whereas dielectric loss decreases with 7 wt% bismuth titanate loading. This high dielectric constant lead free ferroelectric polymer films can be used for energy density applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Transport on the surface of a topological insulator

We study theoretically dc and ac transport on the surface of a three-dimensional topological insulator when its time-reversal symmetry is broken. Starting with a Kubo formula, we derive an explicit expression for the dc Hall conductivity, valid for finite temperatures. At zero temperature this expression gives the dc half-quantum Hall conductivity, provided the Fermi level lies in the gap. Corrections when the Fermi level is outside the gap and scattering by impurities are quantified. The longitudinal conductivity is also examined. At finite frequencies, we find a modified Drude term in σ{sub xx}(ω) and logarithmic, frequency-dependent corrections in σ{sub yx}(ω). The ac Hall conductivity exhibits a robust logarithmic singularity for excitation energies equal to the gapwidth. For these energies, we also find that the power spectrum, which is pertinent to optical experiments, exhibits drastic increase. The Hall conductivity remains almost unaffected for temperatures up to approximately 300 K.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Heat conduction in multifunctional nanotrusses studied using Boltzmann transport equation

Materials that possess low density, low thermal conductivity, and high stiffness are desirable for engineering applications, but most materials cannot realize these properties simultaneously due to the coupling between them. Nanotrusses, which consist of hollow nanoscale beams architected into a periodic truss structure, can potentially break these couplings due to their lattice architecture and nanoscale features. In this work, we study heat conduction in the exact nanotruss geometry by solving the frequency-dependent Boltzmann transport equation using a variance-reduced Monte Carlo algorithm. We show that their thermal conductivity can be described with only two parameters, solid fraction and wall thickness. Our simulations predict that nanotrusses can realize unique combinations of mechanical and thermal properties that are challenging to achieve in typical materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Electronic and optical properties of the LiCdX (X = N, P, As and Sb) filled-tetrahedral compounds with the Tran–Blaha modified Becke–Johnson density functional

Highlights: • Electronic and optical properties of the LiCdX compounds have been predicted. • Tran–Blaha-modified Becke–Johnson functional significantly improves the band gap. • We predict a direct band gap in all of the considered LiCdX compounds. • Origin of the peaks in the optical spectra is determined. - Abstract: The structural, electronic and optical properties of the LiCdN, LiCdP, LiCdAs and LiCdSb filled-tetrahedral compounds have been explored from first-principles. The calculated structural parameters are consistent with the available experimental results. Since DFT with the common LDA and GGA underestimates the band gap, we use a new developed functional able to accurately describe the electronic structure of semiconductors, namely the Tran–Blaha-modified Becke–Johnson potential. The four investigated compounds demonstrate semiconducting behavior with direct band gap ranging from about 0.32 to 1.65 eV. The charge-carrier effective masses are evaluated at the topmost valence band and at the bottommost conduction band. The evolution of the value and nature of the energy band gap under pressure effect is also investigated. The frequency-dependent complex dielectric function and some macroscopic optical constants are estimated. The microscopic origins of the structures in the optical spectra are determined in terms of the calculated energy band structures.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Elastodynamic metasurface: Depolarization of mechanical waves and time effects

We report the concept of microstructured surfaces with inner resonance in the field of elastodynamics, so-called elastodynamic metasurfaces. Such metasurfaces allow for wavefield manipulation of mechanical waves by tuning the boundary conditions at specific frequencies. In particular, they can be used to depolarize elastic waves without introducing heterogeneities in the medium itself; the physical means to do so in homogeneous elastic media used to remain, surprisingly, an open question while depolarization is commonplace in electromagnetism. The principle relies on the anisotropic behaviour of a subwavelength array of resonators: Their subwavelength configuration confines the Bragg interferences scattered by resonators into a boundary layer. The effective behaviour of the resonating array is expressed with homogenization as an unconventional impedance, the frequency-dependence, and anisotropy of which lead to depolarization and time effects. The concept of the elastodynamic metasurface is tested experimentally and results bear testament to its efficacy and robustness. Elastodynamic metasurfaces are easily realized and analytically predictable, opening new possibilities in tomography techniques, ultrasonics, geophysics, vibration control, materials and structure design.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A novel approach to background subtraction in contrast-enhanced dual-energy digital mammography with commercially available mammography devices: Noise minimization

Purpose: Dual-energy image subtraction represents a useful tool to improve the detectability of small lesions, especially in dense breasts. A feature it shares with all x-ray imaging techniques is the appearance of fluctuations in the texture of the background, which can obscure the visibility of interesting details. The aim of the work is to investigate the main noise sources, in order to create a better performing subtraction mechanism. In particular, the structural noise cancellation was achieved by means of a suitable extension of the dual-energy algorithm. Methods: The effect of the cancellation procedure was tested on an analytical simulation of a target with varying structural composition. Subsequently, the subtraction algorithm was also applied to a set of actual radiographs of a breast phantom exhibiting a nonuniform background pattern. The background power spectra of the outcomes were computed and compared to the ones obtained from a standard subtraction algorithm. Results: The comparison between the standard and the proposed cancellations showed an overall suppression of the magnitudes of the spectra, as well as a flattening of the frequency dependence of the structural component of the noise. Conclusions: The proposed subtraction procedure provides an effective cancellation of the residual background fluctuations. When combined with the polychromatic correction already described in a companion publication, it results in a high performing dual-energy subtraction scheme for commercial mammography units.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Terahertz and infrared transmission of an organic/inorganic hybrid thermoelectric material

We report terahertz and infrared transmission measurements of a high-performance thermoelectric material containing tellurium nanowires in a conducting polymer poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) matrix. The DC electrical conductivity of the hybrid material (41 S/cm) is approximately one hundred times that of pure PEDOT:PSS and more than 400 times that of a film of pure tellurium nanowires, while the terahertz-frequency (THz) conductivity of PEDOT:PSS and the hybrid material are comparable at f ∼ 2THz. A frequency-dependent conductivity model indicates that the increased DC conductivity of the hybrid material results from an increase in the DC charge mobility rather than in the free charge density. We suggest that the increased DC conductivity of the hybrid material results from an increase in linkage between PEDOT domains by the tellurium nanowires.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Structural and dielectric properties of Ba{sub 2}LaSbO{sub 6} ceramics

The ceramic Ba{sub 2}LaSbO{sub 6} (BLS) is synthesized by the solid state reaction technique. The Rietveld refinement of X-ray diffraction pattern at room temperature shows Monoclinic P2{sub 1}/n space group symmetry with lattice parameter a = 6.0720 (0) Å, b = 6.1058 (3) Å, c = 8.6016 (6) Å and β =89.7091 ° (8). Dielectric study of sample has been performed in the temperature range from 30 °C to 300 °C in the frequency range 50 Hz to 1.1 MHz. Dielectric relaxation peaks are observed in the imaginary part of complex permittivity of the spectra. The frequency dependence of real and imaginary parts of dielectric permittivity is analyzed using Cole-Cole model. The temperature dependent relaxation time is found to obey the Arrhenius law having activation energy 0.48 eV which indicates that the conduction mechanism in the materials may be due to polaron hopping based on electron carriers. The complex plane plots of BLS shows the presence of both grain and grain boundary effects. Conductivity spectra follow the power law.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Ultraviolet laser spectroscopy of neutral mercury in a one-dimensional optical lattice

We present details on the ultraviolet lattice spectroscopy of the (6s{sup 2}) {sup 1}S{sub 0}{r_reversible} (6s6p) {sup 3}P{sub 0} transition in neutral mercury, specifically {sup 199}Hg. Mercury atoms are loaded into a one-dimensional vertically aligned optical lattice from a magneto-optical trap with an rms temperature of {approx}60 {mu}K. We describe aspects of the magneto-optical trapping, the lattice cavity design, and the techniques employed to trap and detect mercury in an optical lattice. The clock-line frequency dependence on lattice depth is measured at a range of lattice wavelengths. We confirm the magic wavelength to be 362.51(0.16) nm. Further observations to those reported by Yi et al.[Phys. Rev. Lett. 106, 073005 (2011)] are presented regarding the laser excitation of a Wannier-Stark ladder of states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Longitudinal Beam Dynamics with a Higher-Harmonic Cavity for Bunch Lengthening

In Sect.1 we review the conditions of operation of an HHC system assuming its stability. We first discuss the longitudinal dynamics with an active HHC and the conditions that lead to a quartic potential in the limit of small oscillations, together with formulae giving the bunch lengthening factor and the synchrotron frequency dependence on the amplitude of the synchrotron oscillations. We discuss next passive HHC operations with uniform fillings, and distinguish the case of normal-conducting HHC, where optimal conditions of operation can be met, from the case of superconducting HHC, where optimal conditions of operation can be satisfied only approximately. In Sect.2 we address the stability of the passive superconducting 3HC system of the NSLS-II storage ring via self-consistent simulations with code SPACE. The case of nominal fractional filling of 80% is compared with the case of fractional filling of 90% and with the uniform filling case. It is shown that for values of the detuning frequency in the neighborhood of the good working point discussed in Sect.2, unstable regimes of oscillation are found, with detuning frequency threshold dependent on the gap in the filling. It is shown that the instability regime is characterized by dipole and quadrupole modes of oscillation exhibiting asymptotically nonlinear saturation. A discussion of the average bunch lengthening, together with the degree of uniformity across the bunch train, achievable under stable conditions as a function of the fractional filling concludes the paper.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Calcium titanate (CaTiO{sub 3}) dielectrics prepared by plasma spray and post-deposition thermal treatment

Highlights: • Calcium titanate was sprayed by two different plasma spray systems. • Significant improvement of dielectric properties after annealing was observed. • Calcium titanate self-supporting parts can be fabricated by plasma spraying. - Abstract: This paper studies calcium titanate (CaTiO{sub 3}) dielectrics prepared by plasma spray technology. A water stabilized plasma gun (WSP) as well as a widely used gas stabilized plasma gun (GSP) were employed in this study to deposit three sample sets at different spray conditions. Prepared specimens were annealed in air at atmospheric pressure for 2 h at various temperatures from 530 to 1170 °C. X-ray diffraction (XRD), Raman spectroscopy and porosity measurements were used for sample characterization. Dielectric spectroscopy was applied to obtain relative permittivity, conductivity and loss factor frequency dependence. Band gap energy was estimated from reflectance measurements. The work is focused on the explanation of changes in microstructure and properties of a plasma sprayed deposit after thermal annealing. Obtained results show significant improvement of dielectric properties after thermal annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2013

THE ESCAPE FRACTION OF IONIZING RADIATION FROM GALAXIES

The escape of ionizing radiation from galaxies plays a critical role in the evolution of gas in galaxies, and the heating and ionization history of the intergalactic medium. We present semi-analytic calculations of the escape fraction of ionizing radiation for both hydrogen and helium from galaxies ranging from primordial systems to disk-type galaxies that are not heavily dust-obscured. We consider variations in the galaxy density profile, source type, location, and spectrum, and gas overdensity/distribution factors. For sufficiently hard first-light sources, the helium ionization fronts closely track or advance beyond that of hydrogen. Key new results in this work include calculations of the escape fractions for He I and He II ionizing radiation, and the impact of partial ionization from X-rays from early active galactic nuclei or stellar clusters on the escape fractions from galaxy halos. When factoring in frequency-dependent effects, we find that X-rays play an important role in boosting the escape fractions for both hydrogen and helium, but especially for He II. We briefly discuss the implications of these results for recent observations of the He II reionization epoch at low redshifts, as well as the UV data and emission-line signatures from early galaxies anticipated from future satellite missions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Exploring the electronic and optical properties of AgInO{sub 2}

We computed the energy band and density of states for electronic properties while for optical properties we computed dielectric function, absorption coefficient, optical conductivity and refractive index. The origin of energy bands is interpreted in terms of density of states. The electronic transitions in energy bands are explained from frequency dependent dielectric constant. Our computed band structure predicts AgInO{sub 2} as indirect band gap semiconductor while from optical properties we have predicted importance of AgInO{sub 2} in photovoltaic applications. We also reported valence charge density for this compound. Our computed results are in better agreement with available experimental data than those of earlier theoretically reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Radiation from electrons in graphene in strong electric field

We study the interaction of electrons in graphene with the quantized electromagnetic field in the presence of an applied uniform electric field using the Dirac model of graphene. Electronic states are represented by exact solutions of the Dirac equation in the electric background, and amplitudes of first-order Feynman diagrams describing the interaction with the photon field are calculated for massive Dirac particles in both valleys. Photon emission probabilities from a single electron and from a many-electron system at the charge neutrality point are derived, including the angular and frequency dependence, and several limiting cases are analyzed. The pattern of photon emission at the Dirac point in a strong field is determined by an interplay between the nonperturbative creation of electron–hole pairs and spontaneous emission, allowing for the possibility of observing the Schwinger effect in measurements of the radiation emitted by pristine graphene under DC voltage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

A 2.5D boundary element formulation for modeling damped waves in arbitrary cross-section waveguides and cavities

Highlights: •Dispersive properties of viscoelastic waveguides and cavities are computed using a regularized 2.5D BEM. •Linear viscoelasticity is introduced at the constitutive level by means of frequency dependent complex moduli. •A contour integral algorithm is used to solve the nonlinear eigenvalue problem. •The Sommerfeld radiation condition is used to select the permissible Riemann sheets. •Attenuation of surface waves in cavities approaches the attenuation of Rayleigh waves. -- Abstract: A regularized 2.5D boundary element method (BEM) is proposed to predict the dispersion properties of damped stress guided waves in waveguides and cavities of arbitrary cross-section. The wave attenuation, induced by material damping, is introduced using linear viscoelastic constitutive relations and described in a spatial manner by the imaginary component of the axial wavenumber. The discretized dispersive wave equation results in a nonlinear eigenvalue problem, which is solved obtaining complex axial wavenumbers for a fixed frequency using a contour integral algorithm. Due to the singular characteristics and the multivalued feature of the wave equation, the requirement of holomorphicity inside the contour region over the complex wavenumber plane is fulfilled by the introduction of the Sommerfeld branch cuts and by the choice of the permissible Riemann sheets. A post processing analysis is developed for the extraction of the energy velocity of propagative guided waves. The reliability of the method is demonstrated by comparing the results obtained for a rail and a bar with square cross-section with those obtained from a 2.5D Finite Element formulation also known in literature as Semi Analytical Finite Element (SAFE) method. Next, to show the potential of the proposed numerical framework, dispersion properties are predicted for surface waves propagating along cylindrical cavities of arbitrary cross-section. It is demonstrated that the attenuation of surface waves approaches asymptotically the attenuation of Rayleigh waves.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

MEASURING THE JET POWER OF FLAT-SPECTRUM RADIO QUASARS

We use frequency-dependent position shifts of flat-spectrum radio cores to estimate the kinetic power of active galactic nucleus (AGN) jets. We find a correlation between the derived jet powers and AGN narrow-line luminosity, consistent with the well-known relation for radio galaxies and steep spectrum quasars. This technique can be applied to intrinsically weak jets even at high redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem

The occurrence of instabilities, in particular singlet-triplet and singlet-singlet instabilities, in the exact-exchange (EXX) Kohn-Sham method is investigated. Hessian matrices of the EXX electronic energy with respect to the expansion coefficients of the EXX effective Kohn-Sham potential in an auxiliary basis set are derived. The eigenvalues of these Hessian matrices determine whether or not instabilities are present. Similar as in the corresponding Hartree-Fock case instabilities in the EXX method are related to symmetry breaking of the Hamiltonian operator for the EXX orbitals. In the EXX methods symmetry breaking can easily be visualized by displaying the local multiplicative exchange potential. Examples (N{sub 2}, O{sub 2}, and the polyyne C{sub 10}H{sub 2}) for instabilities and symmetry breaking are discussed. The relation of the stability conditions for EXX methods to approaches calculating the Kohn-Sham correlation energy via the adiabatic-connection fluctuation-dissipation (ACFD) theorem is discussed. The existence or nonexistence of singlet-singlet instabilities in an EXX calculation is shown to indicate whether or not the frequency-integration in the evaluation of the correlation energy is singular in the EXX-ACFD method. This method calculates the Kohn-Sham correlation energy through the ACFD theorem theorem employing besides the Coulomb kernel also the full frequency-dependent exchange kernel and yields highly accurate electronic energies. For the case of singular frequency-integrands in the EXX-ACFD method a regularization is suggested. Finally, we present examples of molecular systems for which the self-consistent field procedure of the EXX as well as the Hartree-Fock method can converge to more than one local minimum depending on the initial conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗