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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Dynamic fracture of functionally graded magnetoelectroelastic composite materials

The stress, magnetic and electric field analysis of multifunctional composites, weakened by impermeable cracks, is of fundamental importance for their structural integrity and reliable service performance. The aim is to study dynamic behavior of a plane of functionally graded magnetoelectroelastic composite with more than one crack. The coupled material properties vary exponentially in an arbitrary direction. The plane is subjected to anti-plane mechanical and in-plane electric and magnetic load. The boundary value problem described by the partial differential equations with variable coefficients is reduced to a non-hypersingular traction boundary integral equation based on the appropriate functional transform and frequency-dependent fundamental solution derived in a closed form by Radon transform. Software code based on the boundary integral equation method (BIEM) is developed, validated and inserted in numerical simulations. The obtained results show the sensitivity of the dynamic stress, magnetic and electric field concentration in the cracked plane to the type and characteristics of the dynamic load, to the location and cracks disposition, to the wave-crack-crack interactions and to the magnitude and direction of the material gradient.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Superconductivity in semimetallic B i 3 O 2 S 3

We report in this paper a further investigation on the thermodynamic and transport properties, and an assessment of theoretical calculations, for the BiS 2 -layered Bi 3 O 2 S 3 superconductor. The polycrystalline sample is synthesized with a superconducting transition temperature of T c onset =5.75K and T c zero =4.03K (≈Tc mag ) that drops to 3.3 K by applying a hydrostatic pressure of 6 kbar. Density-of-states (DOS) calculations give substantial hybridization between Bi, O, and S, with Bi the largest component of DOS, which supports the idea that the BiS 2 layer is relevant for producing electron-phonon coupling. An analysis of previously published specific heat data for Bi 3 O 2 S 3 is additionally suggestive of a strong electron-phonon interaction in the Bi-O-S system. The analysis of the Seebeck coefficient results strongly suggests that Bi 3 O 2 S 3 is a semimetal. In fact, we found the semimetallic or narrow band gap behavior may occur in certain other materials in the BiS 2 -layered class of materials, such as Bi 4 O 4 S 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Demonstrate Capability of NEAMS Tools to Generate Reactor Kinetics Parameters for Pebble-Bed HTGRs Transient Modeling

The system analysis of anticipated operating occurrences and design basis accident for pebblebed reactor systems requires knowledge of the neutron kinetic parameters. These parameters take into account various types of feedback from the pebble-bed core and are typically integrated into system analysis tools such as the System Analysis Module (SAM) in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) tool package. These parameters are typically generated by a higher fidelity full-core coupled neutronics/thermal fluids analysis, such as using Griffin and Pronghorn, in 2D or 3D. The delayed neutron fractions (beta) and the neutron lifetimes (lambda) are typically generated by applying the adjoint solution of the neutron flux. Temperature reactivity coefficients are the most important feedback for all anticipated operating occurrences and design basis accident, then depending on the transient other effects might be important as rector control system worth, s-curves, and Xenon generation. This work package will establish a methodology and process for calculating the reactor kinetics parameters for high-temperature gas-cooled reactor and provide them in a suitable form for system level analyses of typical anticipated operating occurrences and design basis accident.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Evolution of structure and transport properties of the Ba 8 Cu 16 P 30 clathrate-I framework with the introduction of Ga

Two type-I clathrates were synthesized by introducing Ga into the framework of the Ba 8 Cu 16 P 30 type-I clathrate. The introduction of minute amounts of Ga, 1.9% Ga/M total (where M total = Cu + Ga), resulted in the disturbance of the completely ordered Pbcn superstructure of Ba 8 Cu 16 P 30 . Ba 8 Cu 15.43(2) Ga 0.3 P 30.26(3) crystallizes in a partially ordered orthorhombic Pmna clathrate-I superstructure with five out of 15 framework sites being jointly occupied by metal+phosphorus. Increasing the Ga content resulted in all framework sites being occupied by metal + phosphorus in the archetype cubic Pm n clathrate-I crystal structure of Ba 8 Cu 14.5(3) Ga 1.3 P 30.2(4) with 8.2% Ga/M total . A combination of energy dispersive x-ray spectroscopy, inductively coupled plasma mass spectroscopy, and single crystal x-ray diffraction was used to determine the structures alongside the compositions. The positional disorder was verified by 31 P solid state NMR spectroscopy. Characterization of the transport properties indicated that the Ga-substituted samples exhibit higher Seebeck coefficients and electrical resistivities compared to its pristine counterpart, in line with the expected reduction of the hole concentration due to Ga/Cu substitution. Moderate improvements in the thermoelectric power factor and overall figure-of-merit were observed for samples with 6.9% and 3.8% Ga/M total as compared to those for the pristine Ba 8 Cu 16 P 30 clathrate. Finally, band structure calculations shed light on how Ga substitution affects the electronic structure and thermoelectric properties of studied clathrates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Emergent viscous hydrodynamics from a single quantum particle

We investigate an explicit example of how spatial decoherence can lead to hydrodynamic behavior in the late-time, long-wavelength regime of open quantum systems. We focus on the case of a single nonrelativistic quantum particle linearly coupled to a thermal bath of noninteracting harmonic oscillators at temperature T , a la Caldeira and Leggett. Taking advantage of decoherence in the position representation, we expand the reduced density matrix in powers of the off-diagonal spatial components, so that high-order terms are suppressed at late times. Truncating the resulting power series at second order leads to a set of dissipative transient hydrodynamic equations similar to the nonrelativistic limit of equations widely used in simulations of the quark-gluon plasma formed in ultrarelativistic heavy-ion collisions. Transport coefficients are directly determined by the damping constant γ , which quantifies the influence of the environment. The asymptotic limit of our hydrodynamic equations reduces to the celebrated Navier-Stokes equations for a compressible fluid in the presence of a drag force. Furthermore, our results shed new light on the onset of hydrodynamic behavior in open quantum systems where a system with few degrees of freedom is coupled to a large thermal environment.

Hydrodynamics↗
DOE OSTI2017

Effect of Multi-Walled Carbon Nanotubes on Viscoelastic Properties of PP/Reed Flour Composites

The objective of this investigation was to evaluate the influence of multi-wall carbon nanotubes (MWCNTs) on the dynamic mechanical properties of polypropylene (PP)/reed flour (RF) composites. The experimental samples were prepared through the melt mixing of PP/RF at 50% weight ratios, with various amounts of MWCNTs (0, 1, 2, 3 and 5 phr) in a twin-screw extruder, then the samples made by injection molding. The amount of maleic anhydride grafted polypropylene (PP-g-MA) as a coupling agent was fixed at 2 phr for all formulations. Dynamic mechanical analysis (DMA) tests were carried out to investigate the viscoelastic behavior of nanocomposites. The dynamic mechanical properties such as storage modulus (Eʹ), loss modulus (Eʺ), and damping coefficient (tan δ) of nanocomposites were investigated in the temperature range of −80 to 160 °C at a step of 5 °C and frequency of 1 Hz. The morphology of the specimens was characterized using field emission scanning electron microscope (FE-SEM) technique. Results indicated that the storage modulus of samples was found to increase with incorporation of MWCNTs while damping properties registered a decrease, owing to the reinforcing effect of CNTs into the composites. Moreover, CNTs addition leads to a positive shift in glass transition temperature (T{sub g}), which is explained on the molecular mobility of the polymer chains behavior. Additionally, the minimum adhesion factor is related to samples containing 2 phr MWCNTs which provides the best interaction between polymer and fibers. FE-SEM micrographs showed a predominantly homogeneous CNTs distribution through the composites; however, some aggregates were observed at higher CNTs fractions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Spectroradiometric detection of competitor diatoms and the grazer Poteriochromonas in algal cultures

To address challenges in early detection of pond pests, we have extended a spectroradiometric monitoring method, initially demonstrated for measurement of pigment optical activity and biomass, to the detection of algal competitors and grazers. The method relies upon measurement and interpretation of pond reflectance spectra spanning from the visible into the near-infrared. Reflectance spectra are acquired every 5 min with a multi-channel, fiber-coupled spectroradiometer, providing monitoring of algal pond conditions with high temporal frequency. The spectra are interpreted via numerical inversion of a reflectance model, in which the above-water reflectance is expressed in terms of the absorption and backscatter coefficients of the cultured species, with additional terms accounting for the pigment fluorescence features and for the water-surface reflection of sunlight and skylight. With this method we demonstrate detection of diatoms and the predator Poteriochromonas in outdoor cultures of Nannochloropsis oceanica and Chlorella vulgaris, respectively. Further, the relative strength of these signatures is compared to microscopy and sequencing analysis. Spectroradiometric detection of diatoms is then further assessed on beaker-contained mixtures of Microchloropsis salina with Phaeodactylum tricornutum, Thalassiosira weissflogii, and Thalassiosira pseudonana, respectively, providing an initial evaluation of the sensitivity and specificity of detecting pond competitors.

09 BIOMASS FUELS↗
DOE OSTI2020

Performance analysis and tank test validation of a hybrid ocean wave-current energy converter with a single power takeoff

This paper introduces a hybrid ocean wave-current energy converter (HWCEC) that harvests energy from ocean waves and current simultaneously with a single power takeoff (PTO). Specifically, the wave energy is extracted through relative heaving motion between a floating buoy and a submerged second body, while the current energy is extracted using a marine current turbine (MCT). Energy from both sources are integrated by a hybrid PTO whose concept is based on a mechanical motion rectifier (MMR). The hybrid PTO with two one-way clutches converts bidirectional, up-and-down motion from the waves into unidirectional rotation of the generator. Meanwhile a third one-way clutch couples the MCT with the same generator. The wave and current can simultaneously or separately drive the same generator through different engagement and disengagement statuses of the one-way clutches. Time-domain simulation is conducted with hydrodynamic coefficients obtained from computational fluid dynamics analysis and boundary element method. Tank tests were conducted for a HWCEC under co-existing wave and current inputs. For comparison, separate baseline tests of a turbine and a two-body point absorber, each acting in isolation, are conducted. Experimental results validate the dynamic modeling and show that a HWCEC can increase the output power with a range between 29-87% over either current turbine and wave energy converter acting individually, and it can reduce by up to 70% the peak-to-average power ratio compared with the wave energy converter on the tested conditions.

16 TIDAL AND WAVE POWER↗
DOE OSTI2014

Spin-polarization and spin-dependent logic gates in a double quantum ring based on Rashba spin-orbit effect: Non-equilibrium Green's function approach

Spin-dependent electron transport in an open double quantum ring, when each ring is made up of four quantum dots and threaded by a magnetic flux, is studied. Two independent and tunable gate voltages are applied to induce Rashba spin-orbit effect in the quantum rings. Using non-equilibrium Green's function formalism, we study the effects of electron-electron interaction on spin-dependent electron transport and show that although the electron-electron interaction induces an energy gap, it has no considerable effect when the bias voltage is sufficiently high. We also show that the double quantum ring can operate as a spin-filter for both spin up and spin down electrons. The spin-polarization of transmitted electrons can be tuned from −1 (pure spin-down current) to +1 (pure spin-up current) by changing the magnetic flux and/or the gates voltage. Also, the double quantum ring can act as AND and NOR gates when the system parameters such as Rashba coefficient are properly adjusted.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Quantum dissipative effect of one dimension coupled anharmonic oscillator

Quantum dissipative effect of one dimension coupled anharmonic oscillator is investigated. The systems are two coupled harmonic oscillator with the different masses. The dissipative effect is studied based on the quantum state diffusion formalism. The result show that the anharmonic effect increase the amplitude but the lifetime of the oscillation depend on the damping coefficient and do not depend on the temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Electrode Reactions in Slowly Relaxing Media

Here, standard models of reaction kinetics in condensed materials rely on the Boltzmann-Gibbs distribution for the population of reactants at the top of the free energy barrier separating them from the products. While energy dissipation and quantum effects at the barrier top can potentially affect the transmission coefficient entering the rate preexponential factor, much stronger dynamical effects on the reaction barrier are caused by the breakdown of ergodicity for populating the reaction barrier (violation of the Boltzmann-Gibbs statistics). When the spectrum of medium modes coupled to the reaction coordinate includes fluctuations slower than the reaction rate, such nuclear motions dynamically freeze on the reaction time-scale and do not contribute to the activation barrier. In this paper, we consider the consequences of this scenario for electrode reactions in slowly relaxing media. Changing electrode overpotential speeds electrode electron transfer up, potentially cutting through the spectrum of nuclear modes coupled to the reaction coordinate. The reorganization energy of electrochemical electron transfer becomes a function of the electrode overpotential, switching between the thermodynamic value at low rates to the nonergodic limit at higher rates. The sharpness of this transition depends of the relaxation spectrum of the medium. The reorganization energy experiences a sudden drop with increasing overpotential for a medium with a Debye relaxation, but becomes a much shallower function of the overpotential for media with stretched exponential dynamics. The latter scenario characterizes electron transfer in ionic liquids. The analysis of electrode reactions in room-temperature ionic liquids shows that the magnitude of the free energy of nuclear solvation is significantly below its thermodynamic limit. Finally, this result applies to reaction times faster than microseconds and is currently limited by the available dielectric relaxation data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Quasiparticle band structure and optical properties of rutile GeO 2 , an ultra-wide-band-gap semiconductor

Rutile GeO 2 is a visible and near-ultraviolet-transparent oxide that has not been researched for semiconducting applications in electronic and optoelectronic devices. We explore the electronic and optical properties of rutile GeO 2 with first-principles calculations based on density functional theory and many-body perturbation theory. Our band-structure calculations indicate a dipole-forbidden direct bandgap at Γ with an energy of 4.44 eV and effective masses equal to m* e⟂ = 0.43 m 0 , m* e∥ = 0.23 m 0 , m* h⟂ = 1.28 m 0 , and m* h∥ = 1.74 m 0 . In contrast to the self-trapped hole polarons by lattice distortions in other wide-bandgap oxides that reduce the hole mobility, holes in rutile GeO 2 are delocalized due to their small effective mass. The first allowed optical transitions at Γ occur at 5.04 eV ($\vec{E}$⟂$\vec{c}$) and 6.65 eV ($\vec{E}$∥$\vec{c}$). Furthermore, we evaluate the optical absorption coefficient and refractive index along both crystallographic directions. Our estimates for the exciton binding energies using the Bohr model are close to the reported experimental value. The ultrawide-bandgap and light carrier effective masses of rutile GeO 2 , coupled with its optical transparency in the visible and near UV, are promising for applications in UV-transparent conductors and solar-blind photodetectors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions

This work examines the viability of matrix completion methods as cost-effective alternatives to full nuclear Hessians for calculating quantum and variational effects in chemical reactions. The harmonic variety-based matrix completion (HVMC) algorithm, developed in a previous study (https://doi.org/10.1063/5.0018326), exploits the low-rank character of the polynomial expansion of potential energy to recover, using a small sample, vibrational frequencies (square roots of nuclear Hessian eigenvalues) constituting the reaction path. Furthermore, these frequencies are essential for calculating rate coefficients using variational transition state theory with multidimensional tunneling (VTST-MT). HVMC performance is examined for four SN2 reactions and five hydrogen transfer reactions, with each H-transfer reaction consisting of at least one vibrational mode strongly coupled to the reaction coordinate. HVMC is robust and captures zero-point energies, vibrational free energies, zero-curvature tunneling, and adiabatic ground state and free energy barriers as well as their positions on the reaction coordinate. For medium to large reactions involving H-transfer, with the exception of the most complex Ir catalysis system, less than 35% of total eigenvalue information is necessary for accurate recovery of key VTST-MT observables.

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

Angular dependence of primordial trispectra and CMB spectral distortions

Under the presence of anisotropic sources in the inflationary era, the trispectrum of the primordial curvature perturbation has a very specific angular dependence between each wavevector that is distinguishable from the one encountered when only scalar fields are present, characterized by an angular dependence described by Legendre polynomials. We examine the imprints left by curvature trispectra on the TT μ bispectrum, generated by the correlation between temperature anisotropies (T) and chemical potential spectral distortions (μ) of the Cosmic Microwave Background (CMB). Due to the angular dependence of the primordial signal, the corresponding TT μ bispectrum strongly differs in shape from TT μ sourced by the usual g {sub NL} or τ{sub NL} local trispectra, enabling us to obtain an unbiased estimation. From a Fisher matrix analysis, we find that, in a cosmic-variance-limited (CVL) survey of TT μ, a minimum detectable value of the quadrupolar Legendre coefficient is d {sub 2} ∼ 0.01, which is 4 orders of magnitude better than the best value attainable from the TTTT CMB trispectrum. In the case of an anisotropic inflationary model with a f (φ) F {sup 2} interaction (coupling the inflaton field φ with a vector kinetic term F {sup 2}), the size of the curvature trispectrum is related to that of quadrupolar power spectrum asymmetry, g {sub *}. In this case, a CVL measurement of TT μ makes it possible to measure g {sub *} down to 10{sup −3}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

The Development of a Finite Volume Method for Modeling Sound in Coastal Ocean Environment

: As the rapid growth of marine renewable energy and off-shore wind energy, there have been concerns that the noises generated from construction and operation of the devices may interfere marine animals’ communication. In this research, a underwater sound model is developed to simulate sound prorogation generated by marine-hydrokinetic energy (MHK) devices or offshore wind (OSW) energy platforms. Finite volume and finite difference methods are developed to solve the 3D Helmholtz equation of sound propagation in the coastal environment. For finite volume method, the grid system consists of triangular grids in horizontal plane and sigma-layers in vertical dimension. A 3D sparse matrix solver with complex coefficients is formed for solving the resulting acoustic pressure field. The Complex Shifted Laplacian Preconditioner (CSLP) method is applied to efficiently solve the matrix system iteratively with MPI parallelization using a high performance cluster. The sound model is then coupled with the Finite Volume Community Ocean Model (FVCOM) for simulating sound propagation generated by human activities in a range-dependent setting, such as offshore wind energy platform constructions and tidal stream turbines. As a proof of concept, initial validation of the finite difference solver is presented for two coastal wedge problems. Validation of finite volume method will be reported separately.

Coastal↗
DOE OSTI2020

Heterogeneous oxidation of amorphous organic aerosol surrogates by O 3 , NO 3 , and OH at typical tropospheric temperatures

Typical tropospheric temperatures render possible phase states of amorphous organic aerosol (OA) particles of solid, semisolid, and liquid. This will affect the multiphase oxidation kinetics involving the organic condensed-phase and gaseous oxidants and radicals. To quantify this effect, we determined the reactive uptake coefficients (γ) of O 3 , NO 3 , and OH by substrate films composed of single and binary OA surrogate species under dry conditions for temperatures from 213 to 313 K. A temperature-controlled coated-wall flow reactor coupled to a chemical ionization mass spectrometer was applied to determine γ with consideration of gas diffusion transport limitation and gas flow entrance effects, which can impact heterogeneous reaction kinetics. The phase state of the organic substrates was probed via the poke-flow technique, allowing the estimation of the substrates' glass transition temperatures. γ values for O 3 and OH uptake to a canola oil substrate, NO 3 uptake to a levoglucosan and a levoglucosan / xylitol substrate, and OH uptake to a glucose and glucose / 1,2,6-hexanetriol substrate have been determined as a function of temperature. We observed the greatest changes in γ with temperature for substrates that experienced the largest changes in viscosity as a result of a solid-to-liquid phase transition. Organic substrates that maintain a semisolid or solid phase state and as such a relatively higher viscosity do not display large variations in heterogeneous reactivity. From 213 to 293 K, γ values of O 3 with canola oil, of NO 3 with a levoglucosan / xylitol mixture, and of OH with a glucose / 1,2,6-hexanetriol mixture and canola oil, increase by about a factor of 34, 3, 2, and 5, respectively, due to a solid-to-liquid phase transition of the substrate. These results demonstrate that the surface and bulk lifetime of the OA surrogate species can significantly increase due to the slowed heterogeneous kinetics when OA species are solid or highly viscous in the middle and upper troposphere. This experimental study will further our understanding of the chemical evolution of OA particles with subsequent important consequences for source apportionment, air quality, and climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Analysis-Software for Hyperspectral Algal Reflectance Probes v. 1.0

This software provides onsite analysis of the hyperspectral reflectance data acquired on an outdoor algal pond by a multichannel, fiber-coupled spectroradiometer. The analysis algorithm is based on numerical inversion of a reflectance model, in which the above-water reflectance is expressed as a function of the single backscattering albedo, which is dependent on the backscatter and absorption coefficients of the algal culture, which are in turn related to the algal biomass and pigment optical activity, respectively. Prior to the development of this software, while raw multichannel data were displayed in real time, analysis required a post-processing procedure to extract the relevant parameters. This software provides the capability to track the temporal variation of such culture parameters in real time, as raw data are being acquired, or can be run in a post processing mode. The software allows the user to select between different algal species, incorporate the appropriate calibration data, and observe the quality of the resulting model inversions.

Timlin, Jerilyn A.↗
DOE OSTI2018

Antenna array with low Rx and Tx sidelobe levels

The various technologies presented herein relate to mitigating or reducing sidelobe levels during operation of an antenna array. Power coefficients operating across an antenna array are tapered to facilitate a power concentration at central region of the antenna array while power coefficients of a lower magnitude are generated at the periphery of the antenna array. Power coefficient variation can be effected by at least one of electrical path length, number of antennas being powered in a particular antenna subarray, a number of T-splitters incorporated into an electrical path servicing an antenna, etc. Electrical coupling of a pre-T/R stripline and a post-T/R stripline can be achieved in conjunction with operation with a dielectric layer, wherein the dielectric layer acts as a dielectric at the K.sub.u frequency band. Further, phase delay can be applied to at least one electrical signal to facilitate concurrent delivery of power across the antenna array.

42 ENGINEERING↗