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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Li-Doped Ionic Liquid Electrolytes: From Bulk Phase to Interfacial Behavior

Ionic liquids have been proposed as candidate electrolytes for high-energy density, rechargeable batteries. We present an extensive computational analysis supported by experimental comparisons of the bulk and interfacial properties of a representative set of these electrolytes as a function of Li-salt doping. We begin by investigating the bulk electrolyte using quantum chemistry and ab initio molecular dynamics to elucidate the solvation structure of Li(+). MD simulations using the polarizable force field of Borodin and coworkers were then performed, from which we obtain an array of thermodynamic and transport properties. Excellent agreement is found with experiments for diffusion, ionic conductivity, and viscosity. Combining MD simulations with electronic structure computations, we computed the electrochemical window of the electrolytes across a range of Li(+)-doping levels and comment on the role of the liquid environment. Finally, we performed a suite of simulations of these Li-doped electrolytes at ideal electrified interfaces to evaluate the differential capacitance and the equilibrium Li(+) distribution in the double layer. The magnitude of differential capacitance is in good agreement with our experiments and exhibits the characteristic camel-shaped profile. In addition, the simulations reveal Li(+) to be highly localized to the second molecular layer of the double layer, which is supported by additional computations that find this layer to be a free energy minimum with respect to Li(+) translation.

molecular dynamics↗
NASA NTRS1992

Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys, and superlattices: Theoretical study of Cu/graphite bonding

The goals of the research were to provide a fundamental science basis for why the bonding of Cu to graphite is weak, to critically evaluate the previous analysis of the wetting studies with particular regard to the values used for the surface energies of Cu and graphite, and to make recommendations for future experiments or other studies which could advance the understanding and solution of this technological problem. First principles electronic structure calculations were used to study the problem. These are based on density functional theory in the local density approximation and the use of the linear muffin-tin orbital band structure method. Calculations were performed for graphite monolayers, single crystal graphite with the hexagonal AB stacking, bulk Cu, Cu(111) surface, and Cu/graphite superlattices. The study is limited to the basal plane of graphite because this is the graphite plane exposed to Cu and graphite surface energies and combined with the measured contact angles to evaluate the experimental adhesion energy.

Lambrecht, Walter R. L.↗
NASA NTRS1974

Energy and pitch angle distributions for auroral ions using the current sheet acceleration model

Using a dipole-plus-tail magnetic field model, H(+), He(+2), and O(+6) ions are followed numerically, backward in time, from an output plane perpendicular to the axis of the geomagnetic tail, to their point of entrance to the magnetosphere as solar wind particles in the magnetosheath. An adiabatic or guiding center approximation is used in regions where the particles do not interact directly with the current sheet. A Maxwellian distribution with bulk flow is assumed for solar wind particles in the magnetosheath. Bulk velocity, density, and temperature along the magnetopause are taken from the fluid calculations of Spreiter. Using Liouville's theorem, and varying initial conditions at the output plane, the distribution function is found as a function of energy and pitch angle at the output plane. These results are then mapped to the auroral ionosphere using guiding center theory.

Jaeger, E. F.↗
NASA NTRS1976

Use of satellites to determine optimum locations for solar power stations

Ground measurements of solar radiation are too sparse to determine important mesoscale differences that can be of major significance in solar power station locations. Cloud images in the visual spectrum from the SMS/GOES geostationary satellites are used to determine the hourly distribution of sunshine on a mesoscale in the continental United States excluding Alaska. Cloud coverage and density as a function of time of day and season are considered through the use of digital data processing techniques. Low density cirrus clouds are less detrimental to solar energy collection than other types; and clouds in the morning and evening are less detrimental than those during midday hours of maximum insolation. The seasonal geographic distributions of sunshine are converted to Langleys of solar radiation received at the earth's surface through the use of transform equations developed from long-term measurements of these two parameters at 18 widely distributed stations. The high correlation between measurements of sunshine and radiation makes this possible. The output product will be maps showing the geographic distribution of total solar radiation on the mesoscale which is received at the earth's surface during each season.

Hiser, H. W.↗
NASA NTRS1977

Determination of potential solar power sites in the United States based upon satellite cloud observations

The use of cloud images in the visual spectrum from the SMS/GOES geostationary satellites to determine the hourly distribution of sunshine on a mesoscale in the continental United States excluding Alaska is presented. Cloud coverage and density as a function of time of day and season are evaluated through the use of digital data processing techniques. Low density cirrus clouds are less detrimental to solar energy collection than other types; and clouds in the morning and evening are less detrimental than those during midday hours of maximum insolation. Seasonal geographic distributions of cloud cover/sunshine are converted to langleys of solar radiation received at the earth's surface through relationships developed from long term measurements at six widely distributed stations.

Hiser, H. W.↗
NASA NTRS1986

Nonlocal screening in metal surfaces

Due to the effect of the nonuniform environment on the static screening of the Coulomb potential, the local-density approximation for the particle-hole interaction is found to be inadequate to determine the surface energy of simple metals. Use of the same set of single-particle states, and thus the same one-body density and the same work function, has eliminated the single-electron states in favor of the structure of the short-ranged correlations as the basis of this effect. A posteriori simplifications of the Fermi hypernetted-chain theory may be found to allow the same calculational accuracy with simpler computational tools.

Krotscheck, E.↗
NASA NTRS2003

Constraints on the Energy Content of the Universe from a Combination of Galaxy Cluster Observables

We demonstrate that constraints on cosmological parameters from the distribution of clusters as a function of redshift (dN/dz) are complementary to accurate angular diameter distance (D(sub A)) measurements to clusters, and their combination significantly tightens constraints on the energy density content of the Universe. The number counts can be obtained from X-ray and/or SZ (Sunyaev-Ze'dovich effect) surveys, and the angular diameter distances can be determined from deep observations of the intra-cluster gas using their thermal bremsstrahlung X-ray emission and the SZ effect. We combine constraints from simulated cluster number counts expected from a 12 deg(sup 2) SZ cluster survey and constraints from simulated angular diameter distance measurements based on the X-ray/SZ method assuming a statistical accuracy of 10% in the angular diameter distance determination of 100 clusters with redshifts less than 1.5. We find that Omega(sub m), can be determined within about 25%, Omega(sub lambda) within 20% and w within 16%. We show that combined dN/dz+(sub lambda) constraints can be used to constrain the different energy densities in the Universe even in the presence of a few percent redshift dependent systematic error in D(sub lambda). We also address the question of how best to select clusters of galaxies for accurate diameter distance determinations. We show that the joint dN/dz+ D(lambda) constraints on cosmological parameters for a fixed target accuracy in the energy density parameters are optimized by selecting clusters with redshift upper cut-offs in the range 0.55 approx. less than 1. Subject headings: cosmological parameters - cosmology: theory - galaxies:clusters: general

Molnar, Sandor M.↗
NASA NTRS1978

X-ray transfer in binary systems - A Monte Carlo study

Results are presented for Monte Carlo calculations of X-ray light curves for binary systems surrounded by clouds with simple density distributions, chemical compositions, and ionization structures. Occultation of the X radiation by the companion star is taken into account along with Compton scattering and photoionization within the clouds. The models are used to examine the effect of various cloud geometries and ionization structures on the emergent X-ray flux as a function of orbital phase and X-ray energy. The results demonstrate the sensitivity of observed light curves and phase-dependent spectra with respect to the optical depth, geometry, and ionization structure of a surrounding cloud for the cases of a uniform-density cloud with a radius four times the binary orbital separation, a steady-state constant-velocity stellar wind emanating from the companion star, and a spherically symmetric shell or 'cocoon' of the type proposed for Cyg X-3. It is concluded that X-ray binary systems are unlikely to be surrounded by obscuring clouds.

Hertz, P.↗
NASA NTRS1987

Simplified curve fits for the thermodynamic properties of equilibrium air

New, improved curve fits for the thermodynamic properties of equilibrium air have been developed. The curve fits are for pressure, speed of sound, temperature, entropy, enthalpy, density, and internal energy. These curve fits can be readily incorporated into new or existing computational fluid dynamics codes if real gas effects are desired. The curve fits are constructed from Grabau-type transition functions to model the thermodynamic surfaces in a piecewise manner. The accuracies and continuity of these curve fits are substantially improved over those of previous curve fits. These improvements are due to the incorporation of a small number of additional terms in the approximating polynomials and careful choices of the transition functions. The ranges of validity of the new curve fits are temperatures up to 25 000 K and densities from 10 to the -7 to 10 to the 3d power amagats.

Srinivasan, S.↗
NASA NTRS1979

Association of low-frequency waves with suprathermal ions in the upstream solar wind

Observations obtained upstream of the earth's bowshock with the LASL/MPI plasma instruments and the UCLA magnetometers on ISEE-1 and 2 have revealed a striking relationship between the presence of low-frequency fluctuations in solar wind density and field strength and the different types of distribution functions of upstream ions. Waves are absent when the ions have the beamlike distribution of the 'reflected' ions. Large-amplitude waves are present only in conjunction with the 'diffuse' ions, which are characterized by flat energy spectra and broad angular distributions. The waves are largely compressive, showing very good correlation between oscillations in magnetic field strength and plasma density.

Paschmann, G.↗
NASA NTRS1991

Equilibrium wave spectrum and sea state bias in satellite altimetry

For a well-developed sea at equilibrium with a constant wind, the energy-containing range of the wavenumber spectrum for wind-generated gravity waves is approximated by a generalized power law involving the angular spread function and mu, interpreted as a fractal codimension of a small surface patch. Dependence of mu on the wave age is estimated, and the 'Phillips constant', beta, along with the low-wavenumber boundary, k0, of the inertial subrange are analyzed on the basis of the wave action and energy conservation principles. The resulting expressions are employed to evaluate various non-Gaussian statistics of a weakly nonlinear sea surface, which determine the sea state bias in satellite altimetry. The locally accelerated decay of the spectral density function in a high-wavenumber dissipation subrange is pointed out as an important factor of wave dynamics and the geometrical optics treatment of the sea state bias. The analysis is carried out in the approximation of a unidirectional wave field and confined to the case of a well-developed sea.

Glazman, Roman E.↗
NASA NTRS1972

Field emission energy distributions of hydrogen and deuterium on the /100/ and /110/ planes of tungsten.

Total energy distributions of field emitted electrons from the tungsten (110) and (100) planes as a function of coverage by hydrogen and deuterium have been recorded utilizing a spherical deflection energy analyzer. The elastic tunneling resonance spectrum gives a plot of the 'local density of states' in the adsorbate. The inelastic tunneling spectrum reveals those discrete excitation energies available in the adsorbate-substrate complex. These spectroscopic data have been used to infer the chemical nature of the binding states which have been observed in the flash desorption spectrum of hydrogen from tungsten.

Plummer, E. W.↗
NASA NTRS1990

Perpendicular heating of electrons by upper hybrid waves generated by a ring distribution

Satellite observations of electron conical distributions with enhanced fluxes just outside the loss cone suggest that telectrons have been heated perpendicularly to the magnetic field in the mid-altitude polar magnetosphere. To understand electron conical distributions, plasma simulations are conducted to examine an upper hybrid wave instability of a ring electron distribution perpendicular to the magnetic field in a cold electron background. The simulations indicate that both the cold and ring distributions are heated perpendicularly during the saturation stage. From the plasma data, a ring distribution can be identified as a trapped distribution function with an enhancement near 90-deg pitch angle in the phase space density plot. It is suggested that the ring distribution might provide an additional free energy source for generating upper hybrid waves associated with electron conical events.

Lin, C. S.↗
NASA NTRS1993

A k-omega multivariate beta PDF for supersonic turbulent combustion

In a recent attempt by the authors at predicting measurements in coaxial supersonic turbulent reacting mixing layers involving H2 and air, a number of discrepancies involving the concentrations and their variances were noted. The turbulence model employed was a one-equation model based on the turbulent kinetic energy. This required the specification of a length scale. In an attempt at detecting the cause of the discrepancy, a coupled k-omega joint probability density function (PDF) is employed in conjunction with a Navier-Stokes solver. The results show that improvements resulting from a k-omega model are quite modest.

Alexopoulos, G. A.↗
NASA NTRS2005

N-Type delta Doping of High-Purity Silicon Imaging Arrays

A process for n-type (electron-donor) delta doping has shown promise as a means of modifying back-illuminated image detectors made from n-doped high-purity silicon to enable them to detect high-energy photons (ultraviolet and x-rays) and low-energy charged particles (electrons and ions). This process is applicable to imaging detectors of several types, including charge-coupled devices, hybrid devices, and complementary metal oxide/semiconductor detector arrays. Delta doping is so named because its density-vs.-depth characteristic is reminiscent of the Dirac delta function (impulse function): the dopant is highly concentrated in a very thin layer. Preferably, the dopant is concentrated in one or at most two atomic layers in a crystal plane and, therefore, delta doping is also known as atomic-plane doping. The use of doping to enable detection of high-energy photons and low-energy particles was reported in several prior NASA Tech Briefs articles. As described in more detail in those articles, the main benefit afforded by delta doping of a back-illuminated silicon detector is to eliminate a "dead" layer at the back surface of the silicon wherein high-energy photons and low-energy particles are absorbed without detection. An additional benefit is that the delta-doped layer can serve as a back-side electrical contact. Delta doping of p-type silicon detectors is well established. The development of the present process addresses concerns specific to the delta doping of high-purity silicon detectors, which are typically n-type. The present process involves relatively low temperatures, is fully compatible with other processes used to fabricate the detectors, and does not entail interruption of those processes. Indeed, this process can be the last stage in the fabrication of an imaging detector that has, in all other respects, already been fully processed, including metallized. This process includes molecular-beam epitaxy (MBE) for deposition of three layers, including metallization. The success of the process depends on accurate temperature control, surface treatment, growth of high-quality crystalline silicon, and precise control of thicknesses of layers. MBE affords the necessary nanometer- scale control of the placement of atoms for delta doping. More specifically, the process consists of MBE deposition of a thin silicon buffer layer, the n-type delta doping layer, and a thin silicon cap layer. The n dopant selected for initial experiments was antimony, but other n dopants as (phosphorus or arsenic) could be used. All n-type dopants in silicon tend to surface-segregate during growth, leading to a broadened dopant-concentration- versus-depth profile. In order to keep the profile as narrow as possible, the substrate temperature is held below 300 C during deposition of the silicon cap layer onto the antimony delta layer. The deposition of silicon includes a silicon- surface-preparation step, involving H-termination, that enables the growth of high-quality crystalline silicon at the relatively low temperature with close to full electrical activation of donors in the surface layer.

Blacksberg, Jordana↗
NASA NTRS2017

Kinetic Theory and Fast Wind Observations of the Electron Strahl

We develop a model for the strahl population in the solar wind - a narrow, low-density and high-energy electron beam centred on the magnetic field direction. Our model is based on the solution of the electron drift-kinetic equation at heliospheric distances where the plasma density, temperature and the magnetic field strength decline as power laws of the distance along a magnetic flux tube. Our solution for the strahl depends on a number of parameters that, in the absence of the analytic solution for the full electron velocity distribution function (eVDF), cannot be derived from the theory. We however demonstrate that these parameters can be efficiently found from matching our solution with observations of the eVDF made by the Wind satellite's SWE strahl detector. The model is successful at predicting the angular width (FWHM) of the strahl for the Wind data at 1 au, in particular by predicting how this width scales with particle energy and background density. We find that the strahl distribution is largely determined by the local temperature Knudsen number γ ∼ |T dT/dx|/n, which parametrizes solar wind collisionality. We compute averaged strahl distributions for typical Knudsen numbers observed in the solar wind, and fit our model to these data. The model can be matched quite closely to the eVDFs at 1 au; however, it then overestimates the strahl amplitude at larger heliocentric distances. This indicates that our model may be improved through the inclusion of additional physics, possibly through the introduction of 'anomalous diffusion' of the strahl electrons.

Horaites, Konstantinos↗
NASA NTRS1993

Probability density distribution of velocity differences at high Reynolds numbers

Recent understanding of fine-scale turbulence structure in high Reynolds number flows is mostly based on Kolmogorov's original and revised models. The main finding of these models is that intrinsic characteristics of fine-scale fluctuations are universal ones at high Reynolds numbers, i.e., the functional behavior of any small-scale parameter is the same in all flows if the Reynolds number is high enough. The only large-scale quantity that directly affects small-scale fluctuations is the energy flux through a cascade. In dynamical equilibrium between large- and small-scale motions, this flux is equal to the mean rate of energy dissipation epsilon. The pdd of velocity difference is a very important characteristic for both the basic understanding of fully developed turbulence and engineering problems. Hence, it is important to test the findings: (1) the functional behavior of the tails of the probability density distribution (pdd) represented by P(delta(u)) is proportional to exp(-b(r) absolute value of delta(u)/sigma(sub delta(u))) and (2) the logarithmic decrement b(r) scales as b(r) is proportional to r(sup 0.15) when separation r lies in the inertial subrange in high Reynolds number laboratory shear flows.

Praskovsky, Alexander A.↗
NASA NTRS1981

On the maintenance of the Venus nightside ionosphere - Electron precipitation and plasma transport

The relative contributions of electron precipitation and transport of dayside plasma to the maintenance of the Venus nightside ionosphere during the long Venusian night are investigated based on simultaneous Pioneer Venus Orbiter Retarding Potential Analyzer measurements of suprathermal electron fluxes and plasma densities. In about 20 orbits, the nightside integral electron flux of electrons with energies between 5 and 45 eV is observed to be relatively constant in time and altitude, while plasma density is observed to vary by a factor of 10 or more with no correlation with the electron flux. Ionization rates and ion density height profiles are computed for O(+) and O2(+) as a function of magnetic dip angle based on a typical electron spectrum, or a downward flux of O(+) ions. Comparison of the computed profiles with the measured median O(+) and O2(+) density profiles reveals that the measured profiles can only be reproduced by a downward flux of O(+) equal to about 10 to the 8th/sq cm per sec; suprathermal electron energy distributions produce O2(+) and O(+) levels only about half and one tenth those usually observed, respectively. It is thus concluded that transport of O(+) ions from the dayside Venus ionosphere is responsible for approximately 75% of the typical nightside ionization, with variations in O(+) transport mechanism responsible for most of the observed nightside density variations. The remaining ionization is attributed to suprathermal electrons, which contribute principally to the O2(+) peak.

Spenner, K.↗