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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Understanding oxygen adsorption on 9.375 at. % Ga-stabilized δ-Pu (111) surface: A DFT study

Plutonium (Pu) metal reacts rapidly in the presence of oxygen (O), resulting in an oxide layer that will eventually have an olive green rust appearance over time. Recent experimental work suggested that the incorporation of gallium (Ga) as an alloying impurity to stabilize the highly symmetric high temperature δ-phase lattice may also provide resistance against corrosion/oxidation of plutonium. In this paper, we modeled a 9.375 at. % Ga stabilized δ-Pu (111) surface and investigated adsorption of atomic O using all-electron density functional theory. Key findings revealed that the O bonded strongly to a Pu-rich threefold hollow fcc site with a chemisorption energy of –5.06 eV. Migration of the O atom to a Pu-rich environment was also highly sensitive to the surface chemistry of the Pu–Ga surface; when the initial on-surface O adsorption site included a bond to a nearest neighboring Ga atom, the O atom relaxed to a Ga deficient environment, thus affirming the O preference for Pu. Only one calculated final on-surface O adsorption site included a Ga-O bond, but this chemisorption energy was energetically unfavorable. Chemisorption energies for interstitial adsorption sites that included a Pu or Pu-Ga environment suggested that over-coordination of the O atom was energetically unfavorable as well. Electronic structure properties of the on-surface sites, illustrated by the partial density of states, implied that the Ga 4 p states indirectly but strongly influenced the Pu 6 d states strongly to hybridize with the O 2 p states, while also weakly influenced the Pu 5 f states to hybridize with the O 2 p states, even though Ga was not participating in bonding with O.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Scanning thermal plumes

Over a three-year period 800 thermal line scans of power plant plumes were made by an airborne scanner, with ground truth measured concurrently at the plants. Computations using centered finite differences in the thermal scanning imagery show a lower bound in the horizontal temperature gradient in excess of 1.6 C/m. Gradients persist to 3 m below the surface. Vector plots of the velocity of thermal fronts are constructed by tracing the front motion in successive thermal images. A procedure is outlined for the two-point ground calibration of a thermal scanner from an equation describing the scanner signal and the voltage for two known temperatures. The modulation transfer function is then calculated by input of a thermal step function and application of digital time analysis techniques using Fast Fourier Transforms to the voltage output. Field calibration tests are discussed. Data accuracy is limited by the level of ground truth effort chosen.

Scarpace, F. L.↗
DOE OSTI2012

A green-yellow emitting oxyfluoride solid solution phosphor Sr[subscript 2]Ba(AlO[subscript 4]F)[subscript 1;#8722;x](SiO[subscript 5])x:Ce[superscript 3+] for thermally stable, high color rendition solid state white lighting

A near-UV excited, oxyfluoride phosphor solid solution Sr{sub 1.975}Ce{sub 0.025}Ba(AlO{sub 4}F){sub 1-x}(SiO{sub 5}){sub x} has been developed for solid state white lighting applications. An examination of the host lattice, and the local structure around the Ce{sup 3+} activator ions through a combination of density functional theory, synchrotron X-ray and neutron powder diffraction and total scattering, and electron paramagnetic resonance, points to how chemical substitutions play a crucial role in tuning the optical properties of the phosphor. The maximum emission wavelength can be tuned from green ({lambda}{sub em} = 523 nm) to yellow ({lambda}{sub em} = 552 nm) by tuning the composition, x. Photoluminescent quantum yield is determined to be 70 {+-} 5% for some of the examples in the series. Excellent thermal properties were found for the x = 0.5 sample, with the photoluminescence intensity at 160 C only decreased to 82% of its room temperature value. Phosphor-converted LED devices fabricated using an InGaN LED ({lambda}{sub max} = 400 nm) exhibit high color rendering white light with R{sub a} = 70 and a correlated color temperature near 7000 K. The value of R{sub a} could be raised to 90 by the addition of a red component, and the correlated color temperature lowered to near 4000 K.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1990

Characterization of the Nonlinear Elastic Properties of Graphite/Epoxy Composites Using Ultrasound

The normalized change in ultrasonic "natural" velocity as a function of stress and temperature was measured in a unidirectional laminate of T300/5208 graphite/epoxy composite using a pulsed phase locked loop ultrasonic interferometer. These measurements were used together with the linear (second order) elastic moduli to calculate some of the nonlinear (third order) moduli of this material.

Prosser, William H.↗
DOE OSTI2014

Computational modeling and analysis of thermoelectric properties of nanoporous silicon

In this paper, thermoelectric properties of nanoporous silicon are modeled and studied by using a computational approach. The computational approach combines a quantum non-equilibrium Green's function (NEGF) coupled with the Poisson equation for electrical transport analysis, a phonon Boltzmann transport equation (BTE) for phonon thermal transport analysis and the Wiedemann-Franz law for calculating the electronic thermal conductivity. By solving the NEGF/Poisson equations self-consistently using a finite difference method, the electrical conductivity σ and Seebeck coefficient S of the material are numerically computed. The BTE is solved by using a finite volume method to obtain the phonon thermal conductivity k{sub p} and the Wiedemann-Franz law is used to obtain the electronic thermal conductivity k{sub e}. The figure of merit of nanoporous silicon is calculated by ZT=S{sup 2}σT/(k{sub p}+k{sub e}). The effects of doping density, porosity, temperature, and nanopore size on thermoelectric properties of nanoporous silicon are investigated. It is confirmed that nanoporous silicon has significantly higher thermoelectric energy conversion efficiency than its nonporous counterpart. Specifically, this study shows that, with a n-type doping density of 10{sup 20} cm{sup –3}, a porosity of 36% and nanopore size of 3 nm × 3 nm, the figure of merit ZT can reach 0.32 at 600 K. The results also show that the degradation of electrical conductivity of nanoporous Si due to the inclusion of nanopores is compensated by the large reduction in the phonon thermal conductivity and increase of absolute value of the Seebeck coefficient, resulting in a significantly improved ZT.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Notes on the complex Sachdev-Ye-Kitaev model

We describe numerous properties of the Sachdev-Ye-Kitaev model for complex fermions with N $\gg$ 1 flavors and a global U(1) charge. We provide a general definition of the charge in the ( G, Σ) formalism, and compute its universal relation to the infrared asymmetry of the Green function. The same relation is obtained by a renormalization theory. The conserved charge contributes a compact scalar field to the effective action, from which we derive the many-body density of states and extract the charge compressibility. We compute the latter via three distinct numerical methods and obtain consistent results. Finally, we present a two dimensional bulk picture with free Dirac fermions for the zero temperature entropy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The role of membrane fluidization in the gel-assisted formation of giant polymersomes

Polymersomes are being widely explored as synthetic analogs of lipid vesicles based on their enhanced stability and potential uses in a wide variety of applications in (e.g., drug delivery, cell analogs, etc.). Controlled formation of giant polymersomes for use in membrane studies and cell mimetic systems, however, is currently limited by low-yield production methodologies. Here, we describe for the first time, how the size distribution of giant poly(ethylene glycol)-poly(butadiene) (PEO-PBD) polymersomes formed by gel-assisted rehydration may be controlled based on membrane fluidization. We first show that the average diameter and size distribution of PEO-PBD polymersomes may be readily increased by increasing the temperature of the rehydration solution. Further, we describe a correlative relationship between polymersome size and membrane fluidization through the addition of sucrose during rehydration, enabling the formation of PEO-PBD polymersomes with a range of diameters, including giant-sized vesicles (>100 μm). This correlative relationship suggests that sucrose may function as a small molecule fluidizer during rehydration, enhancing polymer diffusivity during formation and increasing polymersome size. Altogether the ability to easily regulate the size of PEO-PBD polymersomes based on membrane fluidity, either through temperature or fluidizers, has broadly applicability in areas including targeted therapeutic delivery and synthetic biology.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Laboratory Studies of the Optical Properties and Condensation Processes of Cosmic Dust Grains

A laboratory facility for conducting a variety of experiments on single isolated dust particles of astrophysical interest levitated in an electrodynamics balance has been developed at NASA/Marshall Space Flight Center. The objective of the research is to employ this experimental technique for studies of the physical and optical properties of individual cosmic dust grains of 0.1-100 micron size in controlled pressure/temperatures environments simulating astrophysical conditions. The physical and optical properties of the analogs of interstellar and interplanetary dust grains of known composition and size distribution will be investigated by this facility. In particular, we will carry out three classes of experiments to study the micro-physics of cosmic dust grains. (1) Charge characteristics of micron size single dust grains to determine the photoelectric efficiencies, yields, and equilibrium potentials when exposed to UV radiation. (2) Infrared optical properties of dust particles (extinction coefficients and scattering phase functions) in the 1-30 micron region using infrared diode lasers and measuring the scattered radiation. (3) Condensation experiments to investigate the condensation of volatile gases on colder nucleated particles in dense interstellar clouds and lower planetary atmospheres. The condensation experiments will involve levitated nucleus dust grains of known composition and initial mass (or m/q ratio), cooled to a temperature and pressure (or scaled pressure) simulating the astrophysical conditions, and injection of a volatile gas at a higher temperature from a controlled port. The increase in the mass due to condensation on the particle will be monitored as a function of the dust particle temperature and the partial pressure of the injected volatile gas. The measured data will permit determination of the sticking coefficients of volatile gases and growth rates of dust particles of astrophysical interest. Some preliminary results based on measurements of photoelectric emission and radiation pressure on single isolated 0.2 to 6.6 micron size silica particles exposed to UV radiation at 120-200 nm and green laser light at 532 nm are presented.

Abbas, M. M.↗
DOE OSTI2016

Calculation of electron spectra and some problems in the thermodynamics of graphene layers

The expressions for the energy spectra of monolayer, bilayer, and multilayer graphene, as well as epitaxial graphene, are derived using the quantum Green’s functions method. Analytic expressions are obtained for the densities of states of these systems. It is shown that a bandgap can appear the spectrum of an epitaxial graphene bilayer. A number of problems in the thermodynamics of electrons in free and epitaxial graphene layers are considered as applications. Analytic expressions are obtained for the chemical potential and heat capacity in the limiting cases of low and high temperatures. Quantum oscillations of heat capacity in graphene are analyzed taking into account the Coulomb interaction. The Berry phase of epitaxial graphene is investigated.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1986

Radiative transfer in multilayered random medium with laminar structure - Green's function approach

For a multilayered random medium with a laminar structure a Green's function approach is introduced to obtain the emitted intensity due to an arbitrary point source. It is then shown that the approach is applicable to both active and passive remote sensing. In active remote sensing, the computed radar backscattering cross section for the multilayered medium includes the effects of both volume multiple scattering and surface multiple scattering at the layer boundaries. In passive remote sensing, the brightness temperature is obtained for arbitrary temperature profiles in the layers. As an illustration the brightness temperature and reflectivity are calculated for a bounded layer and compared with results in the literature.

Karam, M. A.↗
NASA NTRS1998

Minimum High Fire Temperatures Detected in AVIRIS Spectral Measurements from Brazil in 1995

In August and September of 1995 the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) was deployed to Brazil as part of the NASA Smoke Cloud Aerosol and Radiation experiment in Brazil (SCAR-B). AVIRIS measures spectra from 400 to 2500 nm at 10-nm intervals. These spectra are acquired as images with dimensions of 11 by up to 800 km with 20-m spatial resolution. Spectral images measured by AVIRIS are spectrally, radiometrically, and spatially calibrated. During the SCAR-B deployment, AVIRIS measured more than 300 million spectra of regions of Brazil. A portion of these spectra were acquired over areas of actively burning fires. Actively burning fires emit radiance in the AVIRIS spectral range as a function of temperature. This emitted radiance is expressed from the 2500-nm end of the AVIRIS spectrum to shorter wavelengths as a function of intensity and modeled by the Planck function.. The objective of this research and analysis was to use spectroscopic methods to determine the minimum high temperature of the most intense fires measured in the SCAR-B AVIRIS data set. Spectra measured by AVIRIS with hot sources have been previously examined for volcanic lava and fires in Brazil.

Green, Robert O.↗
NASA NTRS1998

AIRS PFM Pulse Tube Cooler System-level Performance

JPL's Atmospheric Infrared Sounder (AIRS) instrument is being built to make precision measurements of air temperature over the surface of the Earth as a function of elevation; the flight instrument is in the final stages of assembly and checkout at this time, and uses a pair of TRW pulse tube cryocoolers operating at 55K to cool its sensitive IR focal plane.

AIRS PFM Pulse Tube Cooler System-level JPL's Atmo↗
DOE OSTI2023

Andreev Reflection and Klein Tunneling in High-Temperature Superconductor-Graphene Junctions

Scattering processes in quantum materials emerge as resonances in electronic transport, including confined modes, Andreev states, and Yu-Shiba-Rusinov states. However, in most instances, these resonances are driven by a single scattering mechanism. Here, in this paper, we show the appearance of resonances due to the combination of two simultaneous scattering mechanisms, one from superconductivity and the other from graphene p-n junctions. These resonances stem from Andreev reflection and Klein tunneling that occur at two different interfaces of a hole-doped region of graphene formed at the boundary with superconducting graphene due to proximity effects from Bi 2 Sr 2 Ca 1 Cu 2 O 8+δ . The resonances persist with gating from p + -p and p-n configurations. The suppression of the oscillation amplitude above the bias energy which is comparable to the induced superconducting gap indicates the contribution from Andreev reflection. Our experimental measurements are supported by quantum transport calculations in such interfaces, leading to analogous resonances. Our results put forward a hybrid scattering mechanism in graphene–high-temperature superconductor heterojunctions of potential impact for graphene-based Josephson junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Compositional effects on cure kinetics, mechanical properties and printability of dual-cure epoxy/acrylate resins for DIW additive manufacturing

Interest in 3D printing of thermoset resins has increased significantly in recent years. One approach to additive manufacturing of thermoset resins is printing dual-cure resins with direct ink write (DIW). Dual-cure resins are multi-component resins which employ an in situ curable constituent to enable net-shape fabrication while a second constituent and cure mechanism contribute to the final mechanical properties of the printed materials. In this work, the cure kinetics, green strength, printability, and print fidelity of dual-cure epoxy/acrylate thermoset resins are investigated. Resin properties are evaluated as a function of acrylate concentration and in situ UV exposure conditions. The acrylate cure kinetics are probed using photo-differential scanning calorimetry and the impacts of resin composition and UV cure profile on the acrylate extent of conversion are presented. Continuous and pulsed UV cure profiles are shown to affect total conversion due to variances in radical efficiency at different UV intensities and acrylate concentrations. The effects of acrylate concentration on the kinetics of the epoxy thermal cure and the final mechanical properties are also investigated using dynamic mechanical analysis and three-point bend measurements. The glass transition temperature is dependent on formulation, with increasing acrylate content decreasing the T g . However, the room temperature shear moduli, flexural moduli, strength, strain-to-failure, and toughness values are relatively independent of resin composition. The similarity of the final properties allows for greater flexibility in resin formulation and in situ cure parameters, which can enable the printing of complex parts that require high green strength. We found that the in situ UV print intensities and exposure profiles that are necessary to achieve the best print quality are not, in most cases, the conditions that maximize conversion of the acrylate network. Lastly, this highlights the importance of developing optimized resin compositions which enable complete cure of the acrylate network by promoting acrylate dark cure or thermal cure.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations

Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G{sub 0}W{sub 0}, GW{sub 0} to partially self-consistent sc-GW{sub 0}, as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW{sub 0}-BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Shear viscosity for dense plasmas by equilibrium molecular dynamics in asymmetric Yukawa ionic mixtures

We present molecular dynamics (MD) calculations of shear viscosity for asymmetric mixed plasma for thermodynamic conditions relevant to astrophysical and inertial confinement fusion plasmas. Specifically, we consider mixtures of deuterium and argon at temperatures of 100–500 eV and a number density of 10 25 ions/cc. The motion of 30 000–120 000 ions is simulated in which the ions interact via the Yukawa (screened Coulomb) potential. The electric field of the electrons is included in this effective interaction; the electrons are not simulated explicitly. Shear viscosity is calculated using the Green-Kubo approach with an integral of the shear stress autocorrelation function, a quantity calculated in the equilibrium MD simulations. We systematically study different mixtures through a series of simulations with increasing fraction of the minority high- Z element (Ar) in the D-Ar plasma mixture. In the more weakly coupled plasmas, at 500 eV and low Ar fractions, results from MD compare very well with Chapman-Enskog kinetic results. In the more strongly coupled plasmas, the kinetic theory does not agree well with the MD results. Here, we develop a simple model that interpolates between classical kinetic theories at weak coupling and the Murillo Yukawa viscosity model at higher coupling. Finally, this hybrid kinetics-MD viscosity model agrees well with the MD results over the conditions simulated, ranging from moderately weakly coupled to moderately strongly coupled asymmetric plasma mixtures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1991

Remote sensing of earth terrain

In remote sensing, the encountered geophysical media such as agricultural canopy, forest, snow, or ice are inhomogeneous and contain scatters in a random manner. Furthermore, weather conditions such as fog, mist, or snow cover can intervene the electromagnetic observation of the remotely sensed media. In the modelling of such media accounting for the weather effects, a multi-layer random medium model has been developed. The scattering effects of the random media are described by three-dimensional correlation functions with variances and correlation lengths corresponding to the fluctuation strengths and the physical geometry of the inhomogeneities, respectively. With proper consideration of the dyadic Green's function and its singularities, the strong fluctuation theory is used to calculate the effective permittivities which account for the modification of the wave speed and attenuation in the presence of the scatters. The distorted Born approximation is then applied to obtain the correlations of the scattered fields. From the correlation of the scattered field, calculated is the complete set of scattering coefficients for polarimetric radar observation or brightness temperature in passive radiometer applications. In the remote sensing of terrestrial ecosystems, the development of microwave remote sensing technology and the potential of SAR to measure vegetation structure and biomass have increased effort to conduct experimental and theoretical researches on the interactions between microwave and vegetation canopies. The overall objective is to develop inversion algorithms to retrieve biophysical parameters from radar data. In this perspective, theoretical models and experimental data are methodically interconnected in the following manner: Due to the complexity of the interactions involved, all theoretical models have limited domains of validity; the proposed solution is to use theoretical models, which is validated by experiments, to establish the region in which the radar response is most sensitive to the parameters of interest; theoretically simulated data will be used to generate simple invertible models over the region. For applications to the remote sensing of sea ice, the developed theoretical models need to be tested with experimental measurements. With measured ground truth such as ice thickness, temperature, salinity, and structure, input parameters to the theoretical models can be obtained to calculate the polarimetric scattering coefficients for radars or brightness temperature for radiometers and then compare theoretical results with experimental data. Validated models will play an important role in the interpretation and classification of ice in monitoring global ice cover from space borne remote sensors in the future. We present an inversion algorithm based on a recently developed inversion method referred to as the Renormalized Source-Type Integral Equation approach. The objective of this method is to overcome some of the limitations and difficulties of the iterative Born technique. It recasts the inversion, which is nonlinear in nature, in terms of the solution of a set of linear equations; however, the final inversion equation is still nonlinear. The derived inversion equation is an exact equation which sums up the iterative Neuman (or Born) series in a closed form and, thus, is a valid representation even in the case when the Born series diverges; hence, the name Renormalized Source-Type Integral Equation Approach.

Yueh, Herng-Aung↗
NASA NTRS1992

A molecular beam mass spectrometric study of the formation and photolysis of C(lc)lO dimer

A study of the chlorine oxides present at temperatures and pressures typical of the Antarctic stratosphere was carried out. A series of low temperature flow reactors was constructed and used in conjunction with molecular beam mass spectrometric techniques to identify species and characterize their kinetic behavior at temperatures of -20 to -70 C and pressures of from 30 to 130 Torr. It was found that the gas phase chlorine-oxygen system was quite complex at low temperatures. ClO dimer was identified and found to be thermodynamically very stable under stratospheric conditions. It was also found that any system which contained ClO also contained a larger oxide. The oxide was identified as Cl2O3. A survey of possible higher oxides, which have been postulated as possible chlorine sinks in the stratosphere, was also carried out. The rate of formation of ClO dimer was measured as a function of temperature and pressure. Measurements were made of both the decay of ClO and the formation of the dimer. By comparing these rates it was determined that virtually all of the ClO was converted to the dimer under stratospheric conditions, and that the other ClO reactions were not important under these conditions.

Greene, Frank T.↗