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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Optical spectra of the silicon-terminated carbon chain radicals SiC{sub n}H (n = 3,4,5)

The gas-phase optical spectra of three silicon-terminated carbon chain radicals, SiC{sub n}H (n = 3 − 5), formed in a jet-cooled discharge of silane and acetylene, have been investigated by resonant two-color two-photon ionization and laser-induced fluorescence/dispersed fluorescence. Analysis of the spectra was facilitated by calculations performed using equation-of-motion coupled cluster methods. For SiC{sub 3}H and SiC{sub 5}H, the observed transitions are well-described as excitations from a {sup 2}Π ground state to a {sup 2}Σ state, in which vibronic coupling, likely involving a higher-lying Π state with a very large predicted f-value (close to unity), is persistent. The lowest {sup 2}Σ states of both species are characterized by a rare silicon triple bond, which was identified previously [T. C. Smith, H. Y. Li, D. J. Clouthier, C. T. Kingston, and A. J. Merer, J. Chem. Phys. 112, 3662 (2000)] in the lowest {sup 2}Σ state of SiCH. Although a strong Π − Π transition is predicted for SiC{sub 4}H, the observed spectrum near 505 nm more likely corresponds to excitation to a relatively dark Σ state which is vibronically coupled to a nearby Π state. In contrast to the chains with an odd number of carbon atoms, which exhibit relatively sharp spectral features and lifetimes in the 10–100 ns range, SiC{sub 4}H shows intrinsically broadened spectral features consistent with a ∼100 fs lifetime, and a subsequent long-lived decay (>50 μs) which we ascribe to mixing with a nearby quartet state arising from the same electronic configuration. The spin-orbit coupling constants for both SiC{sub 3}H and SiC{sub 5}H radicals were determined to be approximately 64 cm{sup −1}, similar to that of SiCH (69.8 cm{sup −1}), suggesting that the unpaired electron in these species is localized on the silicon atom. Motivated by the new optical work, the rotational spectrum of linear SiC{sub 3}H was detected by cavity Fourier-transform microwave spectroscopy in the 13–34 GHz range. Each rotational transition from the {sup 2}Π{sub 3/2} ground state exhibits well-resolved Λ-doubling and hyperfine structure; the derived rotational constant of B = 2.605 GHz is in excellent agreement with our calculations.

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

Two-dimensional interpreter for field-reversed configurations

An interpretive method is developed for extracting details of the fully two-dimensional (2D) “internal” structure of field-reversed configurations (FRC) from common diagnostics. The challenge is that only external and “gross” diagnostics are routinely available in FRC experiments. Inferring such critical quantities as the poloidal flux and the particle inventory has commonly relied on a theoretical construct based on a quasi-one-dimensional approximation. Such inferences sometimes differ markedly from the more accurate, fully 2D reconstructions of equilibria. An interpreter based on a fully 2D reconstruction is needed to enable realistic within-the-shot tracking of evolving equilibrium properties. Presented here is a flexible equilibrium reconstruction with which an extensive data base of equilibria was constructed. An automated interpreter then uses this data base as a look-up table to extract evolving properties. This tool is applied to data from the FRC facility at Tri Alpha Energy. It yields surprising results at several points, such as the inferences that the local β (plasma pressure/external magnetic pressure) of the plasma climbs well above unity and the poloidal flux loss time is somewhat longer than previously thought, both of which arise from full two-dimensionality of FRCs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

High thermoelectric figure of merit in nanocrystalline polyaniline at low temperatures

Thermoelectric coolers with figure of merit (ZT) close to unity at low temperatures are the need of the hour with new advances in high temperature superconductors, superconducting microelectronic circuits, quantum computers, and photonics. Here, we demonstrate that the conducting polymer polyaniline (Pani) doped with camphor sulfonic acid synthesized in semi-crystalline nanostructures, possesses a giant Seebeck effect at low temperatures. The resulting enormously large Seebeck coefficient (up to 0.6 V/K) combined with an intrinsically low electrical conductivity and thermal conductivity give rise to a ZT = 0.77 at 45 K and ZT = 2.17 at 17 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Probing the antisymmetric Fano interference assisted by a Majorana fermion

As the Fano effect is an interference phenomenon where tunneling paths compete for the electronic transport, it becomes a probe to catch fingerprints of Majorana fermions lying on condensed matter systems. In this work, we benefit of this mechanism by proposing as a route for that an Aharonov-Bohm-like interferometer composed by two quantum dots, being one of them coupled to a Majorana bound state, which is attached to one of the edges of a semi-infinite Kitaev wire within the topological phase. By changing the Fermi energy of the leads and the symmetric detuning of the levels for the dots, we show that opposing Fano regimes result in a transmittance characterized by distinct conducting and insulating regions, which are fingerprints of an isolated Majorana quasiparticle. Furthermore, we show that the maximum fluctuation of the transmittance as a function of the detuning is half for a semi-infinite wire, while it corresponds to the unity for a finite system. The setup proposed here constitutes an alternative experimental tool to detect Majorana excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Renormalization plasma shielding effects on scattering entanglement fidelity in dense plasmas

The influence of renormalization plasma screening on the entanglement fidelity for the elastic electron-atom scattering is investigated in partially ionized dense hydrogen plasmas. The partial wave analysis and effective interaction potential are employed to obtain the scattering entanglement fidelity in dense hydrogen plasmas as functions of the collision energy, the Debye length, and the renormalization parameter. It is found that the renormalization plasma shielding enhances the scattering entanglement fidelity. Hence, we show that the transmission of the quantum information can be increased about 10% due to the renormalization shielding effect in dense hydrogen plasmas. It is also found that the renormalization shielding effect on the entanglement fidelity for the electron-atom collision increases with an increase of the collision energy. In addition, the renormalization shielding function increases with increasing collision energy and saturates to the unity with an increase of the Debye length.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Nonquasineutral electron vortices in nonuniform plasmas

Electron vortices are observed in the numerical simulation of current carrying plasmas on fast time scales where the ion motion can be ignored. In plasmas with nonuniform density n, vortices drift in the B × ∇n direction with a speed that is on the order of the Hall speed. This provides a mechanism for magnetic field penetration into a plasma. Here, we consider strong vortices with rotation speeds V{sub ϕ} close to the speed of light c where the vortex size δ is on the order of the magnetic Debye length λ{sub B}=|B|/4πen and the vortex is thus nonquasineutral. Drifting vortices are typically studied using the electron magnetohydrodynamic model (EMHD), which ignores the displacement current and assumes quasineutrality. However, these assumptions are not strictly valid for drifting vortices when δ ≈ λ{sub B}. In this paper, 2D electron vortices in nonuniform plasmas are studied for the first time using a fully electromagnetic, collisionless fluid code. Relatively large amplitude oscillations with periods that correspond to high frequency extraordinary modes are observed in the average drift speed. The drift speed W is calculated by averaging the electron velocity field over the vorticity. Interestingly, the time-averaged W from these simulations matches very well with W from the much simpler EMHD simulations even for strong vortices with order unity charge density separation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Growth and characterization of AlGaN/GaN/AlGaN double-heterojunction high-electron-mobility transistors on 100-mm Si(111) using ammonia-molecular beam epitaxy

To improve the confinement of two-dimensional electron gas (2DEG) in AlGaN/GaN high electron mobility transistor (HEMT) heterostructures, AlGaN/GaN/AlGaN double heterojunction HEMT (DH-HEMT) heterostructures were grown using ammonia-MBE on 100-mm Si substrate. Prior to the growth, single heterojunction HEMT (SH-HEMT) and DH-HEMT heterostructures were simulated using Poisson-Schrödinger equations. From simulations, an AlGaN buffer with “Al” mole fraction of 10% in the DH-HEMT was identified to result in both higher 2DEG concentration (∼10{sup 13 }cm{sup −2}) and improved 2DEG confinement in the channel. Hence, this composition was considered for the growth of the buffer in the DH-HEMT heterostructure. Hall measurements showed a room temperature 2DEG mobility of 1510 cm{sup 2}/V.s and a sheet carrier concentration (n{sub s}) of 0.97 × 10{sup 13 }cm{sup −2} for the DH-HEMT structure, while they are 1310 cm{sup 2}/V.s and 1.09 × 10{sup 13 }cm{sup −2}, respectively, for the SH-HEMT. Capacitance-voltage measurements confirmed the improvement in the confinement of 2DEG in the DH-HEMT heterostructure, which helped in the enhancement of its room temperature mobility. DH-HEMT showed 3 times higher buffer break-down voltage compared to SH-HEMT, while both devices showed almost similar drain current density. Small signal RF measurements on the DH-HEMT showed a unity current-gain cut-off frequency (f{sub T}) and maximum oscillation frequency (f{sub max}) of 22 and 25 GHz, respectively. Thus, overall, DH-HEMT heterostructure was found to be advantageous due to its higher buffer break-down voltages compared to SH-HEMT heterostructure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Perpendicular diffusion of energetic particles in collisionless plasmas

A fundamental problem in plasma and astrophysics is the interaction between energetic particles and magnetized plasmas. In the current paper, we focus on particle diffusion across the guide magnetic field. It is shown that the perpendicular diffusion coefficient depends only on the parallel diffusion coefficient and the Kubo number. Therefore, one can find four asymptotic limits depending on the values of these two parameters. These regimes are the quasilinear limit, the Kadomtsev and Pogutse limit, the scaling of Rechester and Rosenbluth, and the scaling found by Zybin and Istomin. In the current article, we focus on the Rechester and Rosenbluth scenario because this was not discovered before in the context of collisionless plasmas. Examples and applications are discussed as well. We show that an energy independent ratio of perpendicular and parallel diffusion coefficients can be found and that this ratio can be very small but also close to unity. This is exactly what one observes in the solar wind.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Intersystem-crossing and phosphorescence rates in fac-Ir{sup III}(ppy){sub 3}: A theoretical study involving multi-reference configuration interaction wavefunctions

We have employed combined density functional theory and multi-reference configuration interaction methods including spin–orbit coupling (SOC) effects to investigate the photophysics of the green phosphorescent emitter fac-tris-(2-phenylpyridine)iridium (fac-Ir(ppy){sub 3}). A critical evaluation of our quantum chemical approaches shows that a perturbational treatment of SOC is the method of choice for computing the UV/Vis spectrum of this heavy transition metal complex while multi-reference spin–orbit configuration interaction is preferable for calculating the phosphorescence rates. The particular choice of the spin–orbit interaction operator is found to be of minor importance. Intersystem crossing (ISC) rates have been determined by Fourier transformation of the time correlation function of the transition including Dushinsky rotations. In the electronic ground state, fac-Ir(ppy){sub 3} is C{sub 3} symmetric. The calculated UV/Vis spectrum is in excellent agreement with experiment. The effect of SOC is particularly pronounced for the metal-to-ligand charge transfer (MLCT) band in the visible region of the absorption spectrum which does not only extend its spectral onset towards longer wavelengths but also experiences a blue shift of its maximum. Pseudo-Jahn-Teller interaction leads to asymmetric coordinate displacements in the lowest MLCT states. Substantial electronic SOC and a small energy gap make ISC an ultrafast process in fac-Ir(ppy){sub 3}. For the S{sub 1}↝T{sub 1} non-radiative transition, we compute a rate constant of k{sub ISC} = 6.9 × 10{sup 12} s{sup −1} which exceeds the rate constant of radiative decay to the electronic ground state by more than six orders of magnitude, in agreement with the experimental observation of a subpicosecond ISC process and a triplet quantum yield close to unity. As a consequence of the geometric distortion in the T{sub 1} state, the T{sub 1} → S{sub 0} transition densities are localized on one of the phenylpyridyl moieties. In our best quantum chemical model, we obtain phosphorescence decay times of 264 μs, 13 μs, and 0.9 μs, respectively, for the T{sub 1,I}, T{sub 1,II}, and T{sub 1,III} fine-structure levels in dichloromethane (DCM) solution. In addition to reproducing the correct orders of magnitude for the individual phosphorescence emission probabilities, our theoretical study gives insight into the underlying mechanisms. In terms of intensity borrowing from spin-allowed transitions, the low emission probability of the T{sub 1,I} substate is caused by the mutual cancellation of contributions from several singlet states to the total transition dipole moment. Their contributions do not cancel but add up in case of the much faster T{sub 1,III} → S{sub 0} emission while the T{sub 1,II} → S{sub 0} emission is dominated by intensity borrowing from a single spin-allowed process, i.e., the S{sub 2} → S{sub 0} transition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The effect of beam pre-bunching on the excitation of terahertz plasmons in a parallel plane guiding system

The excitation of terahertz (THz) plasmons by a pre-bunched relativistic electron beam propagating in a parallel plane semiconducting guiding system is studied. It is found that the n-InSb semiconductor strongly supports the confined surface plasmons in the terahertz frequency range. The growth rate and efficiency of the THz surface plasmons increase linearly with modulation index and show the largest value as modulation index approaches unity. Moreover, the growth rate of the instability scales as one-third power of the beam density and inverse one-third power of the THz radiation frequency.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

The use of Eupatorium Odoratum as bio-monitor for radionuclides determination in Manjung, Perak

The accumulation of radionuclides in plants can be used as bio-monitoring in the environment. This technique is a cost-effective as the plants used to uptake deposited radionuclides from soil, commonly as soil-to-plant transfer factor (TF), which is widely used for calculating radiological risk. Radionuclides deposited in the soil carry by the air as particles or gases lead to the accumulation in soil. Eupatorium odoratum, known as pokok kapal terbang in Malaysia was chosen as sample for their abundances and properties to measure surface soil contamination. The plants were collected in three different directions (North, North-East and South-East) from Manjung district. The plants were collected in same size and then separated in to three parts (roots, stems and leaves) to determine the transfer factor from soil to each part. The concentrations of thorium (Th) and uranium (U) were analyzed using Energy Disperse X-Ray Fluorescence (EDXRF) and found in the range of 1.20-3.50 mg/kg and 1.20-3.90 mg/kg in roots, 1.40-3.90 mg/kg and 1.50-5.90 mg/kg in stems and 1.50-2.50 mg/kg and 2.00-6.00 mg/kg in leaves, respectively. Transfer factor (TF) was calculated through concentrations as reported in this article and show that the plants have transferred and accumulated radionuclides in significant values. From radionuclides concentrations in topsoil, the radiological risk was calculated and the present result show that external hazard index (H{sub ex}) is below than unity indicate low radiological risk at that area.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Linear vs. nonlinear acceleration in plasma turbulence. II. Hall–finite-Larmor-radius magnetohydrodynamics

The local k-space ratio of linear and nonlinear accelerations associated with a variety of initial conditions undergoing steady relaxation is investigated for the Hall–finite-Larmor-radius magnetohydrodynamics (MHD) system in the presence of a mean magnetic field. Building on a related study (Paper I) where it was shown that discrepancies exist between describing the global and local characterizations of the pure MHD system with mean magnetic field, we find regions of the Fourier space that are consistently dominated by linear acceleration and other regions that are consistently dominated by nonlinear acceleration, independent of the overall system's description as linear, weakly nonlinear, or turbulent. In general, dynamics within a certain angular range of the mean magnetic field direction are predominantly linear, while dynamics adjacent the Hall scales along the field-parallel direction and dynamics adjacent the finite Larmor radius scales in the field-perpendicular direction can become strongly nonlinear. The nonlinear influences are particularly significant as the plasma beta increases from unity to higher values.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Evidence for Bolgiano-Obukhov scaling in rotating stratified turbulence using high-resolution direct numerical simulations

We report results on rotating stratified turbulence in the absence of forcing, with large-scale isotropic initial conditions, using direct numerical simulations computed on grids of up to $4096^3$ points. The Reynolds and Froude numbers are respectively equal to $Re=5.4\times 10^4$ and $Fr=0.0242$. The ratio of the Brunt-V\"ais\"al\"a to the inertial wave frequency, $N/f$, is taken to be equal to 5, a choice appropriate to model the dynamics of the southern abyssal ocean at mid latitudes. This gives a global buoyancy Reynolds number $R_B=ReFr^2=32$, a value sufficient for some isotropy to be recovered in the small scales beyond the Ozmidov scale, but still moderate enough that the intermediate scales where waves are prevalent are well resolved. We concentrate on the large-scale dynamics and confirm that the Froude number based on a typical vertical length scale is of order unity, with strong gradients in the vertical. Two characteristic scales emerge from this computation, and are identified from sharp variations in the spectral distribution of either total energy or helicity. A spectral break is also observed at a scale at which the partition of energy between the kinetic and potential modes changes abruptly, and beyond which a Kolmogorov-like spectrum recovers. Large slanted layers are ubiquitous in the flow in the velocity and temperature fields, and a large-scale enhancement of energy is also observed, directly attributable to the effect of rotation.

Bolgiano-Obukhov↗
DOE OSTI2015

Electric properties and carrier multiplication in breakdown sites in multi-crystalline silicon solar cells

This paper studies the effective electrical size and carrier multiplication of breakdown sites in multi-crystalline silicon solar cells. The local series resistance limits the current of each breakdown site and is thereby linearizing the current-voltage characteristic. This fact allows the estimation of the effective electrical diameters to be as low as 100 nm. Using a laser beam induced current (LBIC) measurement with a high spatial resolution, we find carrier multiplication factors on the order of 30 (Zener-type breakdown) and 100 (avalanche breakdown) as new lower limits. Hence, we prove that also the so-called Zener-type breakdown is followed by avalanche multiplication. We explain that previous measurements of the carrier multiplication using thermography yield results higher than unity, only if the spatial defect density is high enough, and the illumination intensity is lower than what was used for the LBIC method. The individual series resistances of the breakdown sites limit the current through these breakdown sites. Therefore, the measured multiplication factors depend on the applied voltage as well as on the injected photocurrent. Both dependencies are successfully simulated using a series-resistance-limited diode model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Theory of molecule metal nano-particle interaction: Quantum description of plasmonic lasing

The recent quantum description of a few molecules interacting with plasmon excitations of a spherical metal nano-particle (MNP) as presented in the work of Zhang and May [Phys. Rev. B 89, 245441 (2014)] is extended to systems with up to 100 molecules. We demonstrate the possibility of multiple plasmon excitation and describe their conversion into far-field photons. The calculation of the steady-state photon emission spectrum results in an emission line-narrowing with an increasing number of molecules coupled to the MNP. This is considered as an essential criterion for the action of the molecule-MNP system as a nano-laser. To have exact results for systems with up to 20 molecules, we proceed as recently described by Richter et al. [Phys. Rev. B 91, 035306 (2015)] and study a highly symmetric system. It assumes an equatorial and regular position of identical molecules in such a way that their coupling is dominated by that to a single MNP dipole-plasmon excitation. Changing from the exact computation of the system’s complete density matrix to an approximate theory based on the reduced plasmon density matrix, systems with more than 100 molecules can be described. Finally, nonlinear rate equations are proposed which reproduce the mean number of excited plasmons in their dependence of the number of molecules and of the used pump rate. The second order intensity correlation function of emitted photons is related to the respective plasmon correlation function which approaches unity when the system starts lasing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Construction of photon-added spin coherent states and their statistical properties

In the present work, we construct and investigate some properties of the photon-added spin coherent states (PA-SCSs). The Klauder’s minimal set of conditions required to obtain coherent states are discussed. We give the analytical form for the positive weight function in the resolution of unity. Finally, we examine the statistical properties of the PA-SCSs in terms of different parameters using the Mandel’s Q-parameter. All these quantities are expressed in terms of hypergeometric and Meijer G-functions, and so, the PA-SCSs are a new field of application for these functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Vortex flow structures and interactions for the optimum thrust efficiency of a heaving airfoil at different mean angles of attack

The thrust efficiency of a two-dimensional heaving airfoil is studied computationally for a low Reynolds number using a vortex force decomposition. The auxiliary potentials that separate the total vortex force into lift and drag (or thrust) are obtained analytically by using an elliptic airfoil. With these auxiliary potentials, the added-mass components of the lift and drag (or thrust) coefficients are also obtained analytically for any heaving motion of the airfoil and for any value of the mean angle of attack α. The contributions of the leading- and trailing-edge vortices to the thrust during their down- and up-stroke evolutions are computed quantitatively with this formulation for different dimensionless frequencies and heave amplitudes (St{sub c} and St{sub a}) and for several values of α. Very different types of flows, periodic, quasi-periodic, and chaotic described as St{sub c}, St{sub a}, and α, are varied. The optimum values of these parameters for maximum thrust efficiency are obtained and explained in terms of the interactions between the vortices and the forces exerted by them on the airfoil. As in previous numerical and experimental studies on flapping flight at low Reynolds numbers, the optimum thrust efficiency is reached for intermediate frequencies (St{sub c} slightly smaller than one) and a heave amplitude corresponding to an advance ratio close to unity. The optimal mean angle of attack found is zero. The corresponding flow is periodic, but it becomes chaotic and with smaller average thrust efficiency as |α| becomes slightly different from zero.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effect of kinetic energy on the doping efficiency of cesium cations into superfluid helium droplets

We present an experimental investigation of the effect of kinetic energy on the ion doping efficiency of superfluid helium droplets using cesium cations from a thermionic emission source. The kinetic energy of Cs{sup +} is controlled by the bias voltage of a collection grid collinearly arranged with the droplet beam. Efficient doping from ions with kinetic energies from 20 eV up to 480 V has been observed in different sized helium droplets. The relative ion doping efficiency is determined by both the kinetic energy of the ions and the average size of the droplet beam. At a fixed source temperature, the number of doped droplets increases with increasing grid voltage, while the relative ion doping efficiency decreases. This result implies that not all ions are captured upon encountering with a sufficiently large droplet, a deviation from the near unity doping efficiency for closed shell neutral molecules. We propose that this drop in ion doping efficiency with kinetic energy is related to the limited deceleration rate inside a helium droplet. When the source temperature changes from 14 K to 17 K, the relative ion doping efficiency decreases rapidly, perhaps due to the lack of viable sized droplets. The size distribution of the Cs{sup +}-doped droplet beam can be measured by deflection and by energy filtering. The observed doped droplet size is about 5 × 10{sup 6} helium atoms when the source temperature is between 14 K and 17 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗