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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Position dependent spin wave spectrum in nanostrip magnonic waveguides

The dispersion curves of propagating spin wave along different positions in nanostrip magnonic waveguides were studied by micromagnetic simulation. The results show that the modes of spin wave in the nanostrip magnonic waveguide are dependent on the position and the weak even modes of spin wave are excited even by symmetric excitation fields in a nanostrip magnonic waveguide. The reasons of the position dependent dispersion curve are explained by associating with geometrical confinement in the nanostrip magnonic waveguide.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Understanding the deposition mechanism of pulsed laser deposited B-C films using dual-targets

Boron carbide thin films with stoichiometry (boron-carbon atomic ratio) range of 0.1 ∼ 8.9 were fabricated via pulsed laser deposition by using boron-carbon dual-targets. However, this experimental data on stoichiometry were smaller than the computer simulation values. The discrepancy was investigated by studies on composition and microstructure of the thin films and targets by scanning electron microscopy, excitation laser Raman spectroscopy, and X-ray photoelectron spectroscopy. The results indicate that the boron liquid droplets were formed by phase explosion after laser irradiation on boron sector. Part of the boron droplets would be lost via ejection in the direction of laser beam, which is tilted 45° to the surface of substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Explicit correlation treatment of the potential energy surface of CO{sub 2} dimer

We present an extensive study of the four-dimensional potential energy surface (4D-PES) of the carbon dioxide dimer, (CO{sub 2}){sub 2}. This PES is developed over the set of intermolecular coordinates. The electronic computations are carried out at the explicitly correlated coupled cluster method with single, double, and perturbative triple excitations [CCSD(T)-F12] level of theory in connection with the augmented correlation-consistent aug-cc-pVTZ basis set. An analytic representation of the 4D-PES is derived. Our extensive calculations confirm that “Slipped Parallel” is the most stable form and that the T-shaped structure corresponds to a transition state. Later on, this PES is employed for the calculations of the vibrational energy levels of the dimer. Moreover, the temperature dependence of the dimer second virial coefficient and of the first spectral moment of rototranslational collision-induced absorption spectrum is derived. For both quantities, a good agreement is found between our values and the experimental data for a wide range of temperatures. This attests to the high quality of our PES. Generally, our PES and results can be used for modeling CO{sub 2} supercritical fluidity and examination of its role in planetary atmospheres. It can be also incorporated into dynamical computations of CO{sub 2} capture and sequestration. This allows deep understanding, at the microscopic level, of these processes.

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

Spatial profiles of electron and metastable atom densities in positive polarity fast ionization waves sustained in helium

Fast ionization waves (FIWs), often generated with high voltage pulses over nanosecond timescales, are able to produce large volumes of ions and excited states at moderate pressures. The mechanisms of FIW propagation were experimentally and computationally investigated to provide insights into the manner in which these large volumes are excited. The two-dimensional structure of electron and metastable densities produced by short-pulse FIWs sustained in helium were measured using laser-induced fluorescence and laser collision-induced fluorescence diagnostics for times of 100–120 ns after the pulse, as the pressure was varied from 1 to 20 Torr. A trend of center-peaked to volume-filling to wall-peaked electron density profiles was observed as the pressure was increased. Instantaneous FIW velocities, obtained from plasma-induced emission, ranged from 0.1 to 3×10⁹cm s⁻¹, depending on distance from the high voltage electrode and pressure. Predictions from two-dimensional modeling of the propagation of a single FIW correlated well with the experimental trends in electron density profiles and wave velocity. Results from the model show that the maximum ionization rate occurs in the wavefront, and the discharge continues to propagate forward after the removal of high voltage from the powered electrode due to the potential energy stored in the space charge. As the pressure is varied, the radial distribution of the ionization rate is shaped by changes in the electron mean free path, and subsequent localized electric field enhancement at the walls or on the centerline of the discharge.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Using stochastic activity networks to study the energy feasibility of automatic weather stations

Automatic Weather Stations (AWSs) are systems equipped with a number of environmental sensors and communication interfaces used to monitor harsh environments, such as glaciers and deserts. Designing such systems is challenging, since designers have to maximize the amount of sampled and transmitted data while considering the energy needs of the system that, in most cases, is powered by rechargeable batteries and exploits energy harvesting, e.g., solar cells and wind turbines. To support designers of AWSs in the definition of the software tasks and of the hardware configuration of the AWS we designed and implemented an energy-aware simulator of such systems. The simulator relies on the Stochastic Activity Networks (SANs) formalism and has been developed using the Möbius tool. In this paper we first show how we used the SAN formalism to model the various components of an AWS, we then report results from an experiment carried out to validate the simulator against a real-world AWS and we finally show some examples of usage of the proposed simulator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Control of the external photoluminescent quantum yield of emitters coupled to nanoantenna phased arrays

Optical losses in metals represent the largest limitation to the external quantum yield of emitters coupled to plasmonic antennas. These losses can be at the emission wavelength, but they can be more important at shorter wavelengths, i.e., at the excitation wavelength of the emitters, where the conductivity of metals is usually lower. We present accurate measurements of the absolute external photoluminescent quantum yield of a thin layer of emitting material deposited over a periodic nanoantenna phased array. Emission and absorptance measurements of the sample are performed using a custom-made setup including an integrating sphere and variable angle excitation. The measurements reveal a strong dependence of the external quantum yield on the angle at which the optical field excites the sample. Such behavior is attributed to the coupling between far-field illumination and near-field excitation mediated by the collective resonances supported by the array. Numerical simulations confirm that the inherent losses associated with the metal can be greatly reduced by selecting an optimum angle of illumination, which boosts the light conversion efficiency in the emitting layer. This combined experimental and numerical characterization of the emission from plasmonic arrays reveals the need to carefully design the illumination to achieve the maximum external quantum yield.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Photophysics of α-furil at room temperature and 77 K: Spectroscopic and quantum chemical studies

Steady state and time resolved spectroscopic measurements have been exploited to assign the emissions from different conformations of α-furil (2, 2′-furil) in solution phase at room temperature as well as cryogen (liquid nitrogen, LN{sub 2}) frozen matrices of ethanol and methylcyclohexane. Room temperature studies reveal a single fluorescence from the trans-planar conformer of the fluorophore or two fluorescence bands coming from the trans-planar and the relaxed skew forms depending on excitation at the nπ{sup ∗} or the ππ{sup ∗} absorption band, respectively. Together with the fluorescence bands, the LN{sub 2} studies in both the solvents unambiguously ascertain two phosphorescence emissions with lifetimes 5 ± 0.3 ms (trans-planar triplet) and 81 ± 3 ms (relaxed skew triplet). Quantum chemical calculations have been performed using density functional theory at CAM-B3LYP/6-311++G{sup ∗∗} level to prop up the spectroscopic surveillance. The simulated potential energy curves (PECs) illustrate that α-furil is capable of giving two emissions from each of the S{sub 1} and the T{sub 1} states—one corresponding to the trans-planar and the other to the relaxed skew conformation. Contrary to the other 1,2-dicarbonyl molecular systems like benzil and α-naphthil, α-furil does not exhibit any fluorescence from its second excited singlet (S{sub 2}) state. This is ascribed to the proximity of the minimum of the PEC of the S{sub 2} state and the hill-top of the PEC of the S{sub 1} state.

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

Hierarchy of forward-backward stochastic Schrödinger equation

Driven by the impetus to simulate quantum dynamics in photosynthetic complexes or even larger molecular aggregates, we have established a hierarchy of forward-backward stochastic Schrödinger equation in the light of stochastic unravelling of the symmetric part of the influence functional in the path-integral formalism of reduced density operator. The method is numerically exact and is suited for Debye-Drude spectral density, Ohmic spectral density with an algebraic or exponential cutoff, as well as discrete vibrational modes. The power of this method is verified by performing the calculations of time-dependent population differences in the valuable spin-boson model from zero to high temperatures. By simulating excitation energy transfer dynamics of the realistic full FMO trimer, some important features are revealed.

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

Recovery of the Aharonov-Bohm oscillations in asymmetrical quantum rings

We theoretically investigate suppression and recovery of the Aharonov-Bohm oscillations of the diamagnetic response of electrons (holes) confined in self-assembled In{sub c}Ga{sub 1−c}As/GaAs semiconductor reflection asymmetrical quantum rings. Based on the mapping method and gauge-origin-independent definition for the magnetic vector potential we simulate the energies and wave functions of the electron (hole) under external magnetic and electric fields. We examine the transformation of the ground state wave function of the electron (hole) in reflection asymmetrical rings from localized in one of the potential valleys (dotlike shape of the wave function) to distributed over all volume of the ring (ringlike shape) under an appropriate lateral electric field. This transformation greatly recovers the electron (hole) diamagnetic coefficient and Aharonov-Bohm oscillations of the diamagnetic response of the ring. However, the recovering electric field for the first Aharonov-Bohm diamagnetic oscillation of the electron is a suppressing one for the hole (and vice versa). This can block the recovery of the optical Aharonow-Bohm effect in In{sub c}Ga{sub 1−c}As/GaAs asymmetrically wobbled rings. However, the recovery of the Aharonov-Bohm oscillations for the independent electron (hole) by the external electric field remains interesting and feasible objective for the asymmetric rings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Graph network heterogeneity predicts interplant wake losses

Wind plants generate large-scale wakes, which can affect the performance of neighboring installations. Such wakes are challenging to estimate due to the inherent complexity in modeling wake interactions between large quantities of turbines at various distances. Weighted directed graph networks can inform complex models by linking turbine pairs into chains of upstream and downstream neighbors for a given wind direction. A novel interpretation of the graph network adjacency matrix is proposed where each element of the matrix represents the cumulative impact of upstream turbines on an individual. In this study, wake losses were estimated with an engineering wake model across a range of inflow conditions for nine parametric variations of a system containing two neighboring wind plants. The parametric nature of the study isolates turbine spacing within the plant, separation distance between plants, and wind direction as the main drivers of wake losses. Spatial heterogeneity is computed from the weighted average adjacency matrix of each plant arrangement. The proposed method is orders of magnitude faster than wake modeling and does not require detailed turbine information or atmospheric conditions. Furthermore, the weighted average adjacency matrix provides insight on the spatial organization of wake losses at various scales. Plant heterogeneity is correlated with wake losses within and among plants. Framing wind plant wake interaction in terms of graph network spatial heterogeneity provides an efficient approach for predicting wake losses within and among neighboring wind plants with applications to other complex systems where wake interactions are key factor.

17 WIND ENERGY↗
DOE OSTI2017

Growth of emittance in laser-plasma electron acceleration in guiding structures

We study angular characteristics, such as emittance and fraction of electrons emitted into a prescribed solid angle, for electron bunches that are accelerated in wake fields generated in various guiding structures – capillary waveguides and plasma channels, in which intense laser pulses propagate. The investigation is performed at various injection energies, which simulate input conditions to different cascades of a multistage electron accelerator. It is shown that, in contrast to the limitations issuing from the requirement of trapping and accelerating a substantial part of bunch electrons, the condition of maintaining the low emittance of the bunch, needed for successful transfer of the accelerated bunch to the entry of the next acceleration cascade or other device, imposes much more strict limitations on the accuracy of focusing of laser radiation to the guiding structure. (paper)

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Evaluation of calibration efficacy under different levels of uncertainty

This study examines how calibration performs under different levels of uncertainty in model input data. It specifically assesses the efficacy of Bayesian calibration to enhance the reliability of EnergyPlus model predictions. A Bayesian approach can be used to update uncertain values of parameters, given measured energy-use data, and to quantify the associated uncertainty.We assess the efficacy of Bayesian calibration under a controlled virtual-reality setup, which enables rigorous validation of the accuracy of calibration results in terms of both calibrated parameter values and model predictions. Case studies demonstrate the performance of Bayesian calibration of base models developed from audit data with differing levels of detail in building design, usage, and operation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

DARK SECTOR COUPLING BENDS THE SUPERCLUSTERS

Galaxy clusters exhibit a noticeably anisotropic pattern in their clustering, which is vividly manifested by the presence of rich filament-like superclusters. The more anisotropic the clustering of galaxy clusters is, the more straight the rich filament-like superclusters become. Given that the degree of the anisotropy in the largest-scale clustering depends sensitively on the nature of dark energy, the supercluster straightness may play a complimentary role in testing dynamic dark energy models. Here, we focus on the coupled dark energy (cDE) models which assume the existence of dark sector coupling between scalar field dark energy and nonbaryonic dark matter. By determining the spines of the superclusters identified in the publicly available group catalogs from the COupled Dark Energy Cosmological Simulations for four different cDE models as well as for the ΛCDM model, we quantify the straightness of each supercluster as the spatial extent of its spine per member cluster, where a supercluster spine represents the main stem of the minimal spanning tree constructed out of the member clusters. It is shown that the dark sector coupling plays a role in making the supercluster less straight relative to the ΛCDM case and that in a cDE model with supergravity potential the superclusters are least straight. We also find that the difference in the degree of the supercluster straightness between the cDE and the ΛCDM cases increases with redshift. A physical interpretation of our result as well as its cosmological implication are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

On the radiolysis of ethylene ices by energetic electrons and implications to the extraterrestrial hydrocarbon chemistry

The chemical processing of ethylene ices (C{sub 2}H{sub 4}) by energetic electrons was investigated at 11 K to simulate the energy transfer processes and synthesis of new molecules induced by secondary electrons generated in the track of galactic cosmic ray particles. A combination of Fourier transform infrared spectrometry (solid state) and quadrupole mass spectrometry (gas phase) resulted in the identification of six hydrocarbon molecules: methane (CH{sub 4}), the C2 species acetylene (C{sub 2}H{sub 2}), ethane (C{sub 2}H{sub 6}), the ethyl radical (C{sub 2}H{sub 5}), and—for the very first time in ethylene irradiation experiments—the C4 hydrocarbons 1-butene (C{sub 4}H{sub 8}) and n-butane (C{sub 4}H{sub 10}). By tracing the temporal evolution of the newly formed molecules spectroscopically online and in situ, we were also able to fit the kinetic profiles with a system of coupled differential equations, eventually providing mechanistic information, reaction pathways, and rate constants on the radiolysis of ethylene ices and the inherent formation of smaller (C1) and more complex (C2, C4) hydrocarbons involving carbon-hydrogen bond ruptures, atomic hydrogen addition processes, and radical-radical recombination pathways. We also discuss the implications of these results on the hydrocarbon chemistry on Titan's surface and on ice-coated, methane-bearing interstellar grains as present in cold molecular clouds such as TMC-1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

The CMB bispectrum

We use a separable mode expansion estimator with WMAP7 data to estimate the bispectrum for all the primary families of non-Gaussian models, including non-scaling feature (periodic) models, the flat (trans-Planckian) model, DBI and ghost inflation, as well as previously constrained simple cases. We review the late-time mode expansion estimator methodology which can be applied to any non-separable primordial and CMB bispectrum model, and we demonstrate how the method can be used to reconstruct the CMB bispectrum from an observational map. We extend the previous validation of the general estimator using local map simulations. We apply the estimator to the coadded WMAP 7-year V and W channel maps, reconstructing the WMAP bispectrum using l < 500 multipoles and n = 50 orthonormal 3D eigenmodes; both the mode expansion parameters and the reconstructed 3D WMAP bispectrum are plotted. We constrain all popular nearly scale-invariant models, ensuring that the theoretical bispectrum is well-described by a convergent mode expansion. Constraints from the local model f{sub NL} = 20.31±27.64 and the equilateral model f{sub NL} = 10.19±127.38 (F{sub NL} = 1.90±23.79) are consistent with previously published results. (Here, we use a nonlinearity parameter F{sub NL} normalised to the local case, to allow more direct comparison between different models.) Notable new constraints from our method include those for the constant model F{sub NL} = 7.82±24.57, the flat model F{sub NL} = 7.31±26.22, and warm inflation F{sub NL} = 2.10±25.83. We investigate feature models, which break scale invariance, surveying a wide parameter range for both the scale and phase (scanning for feature models with an effective period l* > 150). We find no significant evidence of non-Gaussianity for all cases well-described by the given eigenmodes. In the overall non-Gaussian analysis, we find one anomalous mode n = 33 with a 3.39σ amplitude which could give rise to an oscillatory model signal with l* ≤ 150. We propose a measure F-bar {sub NL} for the total integrated bispectrum and find that the measured value is consistent with the null hypothesis that CMB anisotropies obey Gaussian statistics. We argue that this general bispectrum survey with the WMAP data represents the best test of Gaussianity to date and we discuss future prospects with higher precision and resolution, notably from the Planck satellite.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

A method for evaluating the expectation value of a power spectrum using the probability density function of phases

Here, we present a new method to evaluate the expectation value of the power spectrum of a time series. A statistical approach is adopted to define the method. After its demonstration, it is validated showing that it leads to the known properties of the power spectrum when the time series contains a periodic signal. The approach is also validated in general with numerical simulations. The method puts into evidence the importance that is played by the probability density function of the phases associated to each time stamp for a given frequency, and how this distribution can be perturbed by the uncertainties of the parameters in the pulsar ephemeris. We applied this method to solve the power spectrum in the case the first derivative of the pulsar frequency is unknown and not negligible. We also undertook the study of the most general case of a blind search, in which both the frequency and its first derivative are uncertain. We found the analytical solutions of the above cases invoking the sum of Fresnel's integrals squared.

79 ASTRONOMY AND ASTROPHYSICS↗