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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 1,243 records · Page 69

All sources NASA NTRS DOE OSTI

DOE OSTI2015

A global potential energy surface and dipole moment surface for silane

A new nine-dimensional potential energy surface (PES) and dipole moment surface (DMS) for silane have been generated using high-level ab initio theory. The PES, CBS-F12{sup HL}, reproduces all four fundamental term values for {sup 28}SiH{sub 4} with sub-wavenumber accuracy, resulting in an overall root-mean-square error of 0.63 cm{sup −1}. The PES is based on explicitly correlated coupled cluster calculations with extrapolation to the complete basis set limit, and incorporates a range of higher-level additive energy corrections to account for core-valence electron correlation, higher-order coupled cluster terms, and scalar relativistic effects. Systematic errors in computed intra-band rotational energy levels are reduced by empirically refining the equilibrium geometry. The resultant Si–H bond length is in excellent agreement with previous experimental and theoretical values. Vibrational transition moments, absolute line intensities of the ν{sub 3} band, and the infrared spectrum for {sup 28}SiH{sub 4} including states up to J = 20 and vibrational band origins up to 5000 cm{sup −1} are calculated and compared with available experimental results. The DMS tends to marginally overestimate the strength of line intensities. Despite this, band shape and structure across the spectrum are well reproduced and show good agreement with experiment. We thus recommend the PES and DMS for future use.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Linear analyses of peeling-ballooning modes in high beta pedestal plasmas

We present the linear simulations of edge plasma instabilities using the 3-field peeling-ballooning model and gyro-Landau-fluid model under the BOUT++ framework. A series of realistic equilibria of shifted circular geometry are generated by a global equilibrium solver CORSICA, where the Shafranov shift, elongation effects, and bootstrap current are included. The linear growth rate spectrum of the peeling-ballooning modes is shown in a wide range of pressure gradient and parallel current density in the pedestal region. The results show that the bootstrap current stabilizes high beta ballooning modes. Here, the simulations with different fractions of bootstrap current indicate a trend for the existence of the high beta peeling-ballooning mode stability region. Taking the kinetic effects into account, the linear simulations of kinetic peeling-ballooning mode using the gyro-Landau-fluid model show that this region can be accessed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Rate equations for the diode laser and their applicability area

Taking into account spontaneous emission by adding its intensity in the form of a constant term to the laser emission intensity in rate equations is shown to be an inadequate approach. The use of rate equations without equations for phases of waves is limited to problems in which light is characterised by its total intensity, without its spectral composition. Such equations are incapable of adequately modelling the emission spectrum of diode lasers. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1977

Radar backscattering from a sea having an anisotropic large-scale surface, part 2

A two scale scattering model was derived that combines specular reflections from sea waves and Bragg scattering in a manner consistent with energy conservation. The effect of the tilting of the small scale roughness by the large scale roughness was included, which accounted for the reduction of reflected power. The special case of backscattering for which the transmitted polarization equaled the received polarization was considered. An anisotropic large scale surface was used to specify the probability density function of the large scale surface normal. In order to isolate the azimuthal variation of the normalized radar cross section produced by the anisotropic probability density function, an isotropical small scale spectrum was assumed.

Wentz, F. J.↗

NASA NTRS1983

The Mimas ghost revisited: An analysis of the electron flux and electron microsignatures observed in the vicinity of Mimas at Saturn

An analysis of the electron absorption signature observed by the Cosmic Ray System (CRS) on Voyage 2 near the orbit of Mimas is presented. We find that these observations cannot be explained as the absorption signature of Mimas. Combing Pioneer 11 and Voyager 2 measurements of the electron flux at Mimas's orbit (L=3.1), we find an electron spectrum where most of the flux above approx 100 keV is concentrated near 1 to 3 MeV. The expected Mimas absorption signature is calculated from this spectrum neglecting radial diffusion. A lower limit on the diffusion coefficient for MeV electrons is obtained. With a diffusion coefficient this large, both the Voyager 2 and the Pioneer 11 small-scale electron absorption signature observations in Mimas's orbit are enigmatic. Thus we refer to the mechanism for producing these signatures as the Mimas ghost. A cloud of material in orbit with Mimas may account for the observed electron signature if the cloud is at least 1% opaque to electrons across a region extending over a few hundred kilometers.

Chenette, D. L.↗

NASA NTRS1987

Quasi-stationary zonally asymmetric circulations in the equatorial lower mesosphere

Data from the Limb Infrared Monitor of the Stratosphere (LIMS) are used to identify a new type of planetary scale disturbance in the equatorial lower mesosphere during northern winter 1978/1979. The disturbances consist of two or three vertically stacked temperature extrema of alternating sign. They persist for as long as two weeks and do not propagate. Their occurrence is confined to regions of very weak or negative inertial stability, and their meridional-to-vertical aspect ratio, meridional structure, and zonal spectrum are consistent with disturbances predicted by inertial instability theory. However, they are found only when there is strong forcing of the subtropical mesosphere by zonal wavenumber one and two Rossby waves. This fact, together with the absence of zonal propagation, suggests that stationary Rossby waves determine their occurrence and longitudinal structure. These structures can significantly modify the zonal mean flow and should be taken into account in dynamical models of the equatorial mesosphere.

Hitchman, Matthew↗

NASA NTRS2018

Delayed Shock-Induced Dust Formation in the Dense Circumstellar Shell Surrounding the Type IIn Supernova SN 2010jl

The light curves of Type IIn supernovae are dominated by the radiative energy released through the interaction of the supernova shock waves with their dense circumstellar medium (CSM). The ultraluminous Type IIn supernova SN2010jl exhibits an infrared emission component that is in excess of the extrapolated UV-optical spectrum as early as few weeks postexplosion. This emission has been considered by some as evidence for the rapid formation of dust in the cooling postshock CSM. We investigate the physical processes that may inhibit or facilitate the formation of dust in the CSM. When only radiative cooling is considered, the temperature of the dense shocked gas rapidly drops below the dust condensation temperature. However, by accounting for the heating of the postshock gas by the downstream radiation from the shock, we show that dust formation is inhibited until the radiation from the shock weakens as it propagates into the less dense outer regions of the CSM. In SN2010jl, dust formation can therefore only commence after day ∼380. Only the IR emission since that epoch can be attributed to the newly formed CSM dust. Observations on day 460 and later show that the IR luminosity exceeds the UV-optical luminosity. The postshock dust cannot extinct the radiation emitted by the expanding SN shock. Therefore, its IR emission must be powered by an interior source, which we identify as the reverse shock propagating through the SN ejecta. IR emission before day 380 must therefore be an IR echo from preexisting CSM dust.

Sarangi, Arkaprabha↗

DOE OSTI2025

Theory of the photomolecular effect

It is well-known that water in liquid and vapor phases exhibits weak visible-light absorption. Recent experiments, however, show that at the liquid-air interface, absorption drastically increases, accelerating evaporation beyond thermal limits by 2–5 times. Strikingly, evaporation peaks at green wavelengths, despite no corresponding absorptance peak. The underlying mechanism of this observation, termed the photomolecular effect, remains puzzling, particularly as water molecules do not exhibit resonance peaks in the visible spectrum. Here, we present a theoretical model explaining the effect. We show that surface-bound water clusters undergo non-resonant photon-driven evaporation, with green light being particularly effective. Crucially, we do not expect green light to couple more strongly than other wavelengths to the molecules at the surface, rather the energy of green light is more effectively used to vaporize water. Our model accounts for why the evaporation peak does not align with absorptance and provides a quantum mechanical explanation of how a single photon can vaporize an entire molecular cluster. This model challenges conventional views on water-light interactions, revealing a fundamentally non-thermal evaporation mechanism. Furthermore, our findings have implications for water purification, energy-efficient drying, and climate modeling, opening new pathways for optimizing evaporation-based technologies.

Interfacial evaporation↗

DOE OSTI2014

Optical properties of titanium dioxide nanotube arrays

We present experimental measurements and a theoretical analysis of the near UV to NIR optical properties of free standing titania nanotube arrays. An improved understanding of the optical physics of this type of nanostructure is important to several next generation solar energy conversion technologies. We measured the transmission, reflection, and absorption of the electromagnetic spectrum from 300 nm to 1000 nm (UV to NIR) of titania nanotube arrays. We measured the total, specular, and diffuse reflection and transmission using both single point detection and an integrating sphere spectrometer. We find that the transmission, but not the reflection, of light (UV to NIR) through the nanotube array is well-explained by classic geometric optics using an effective medium model taking into account the conical geometry of the nanotubes. For wavelengths shorter than ∼500 nm, we find the surprising result that the reflection coefficient for light incident on the open side of the nanotube array is greater than the reflection coefficient for light incident on the closed “floor” of the nanotube array. We consider theoretical models based on the eikonal approximation, photonic crystal band theory, and a statistical treatment of scattering to explain the observed data. We attribute the fact that light with wavelengths shorter than 500 nm is more highly reflected from the open than the closed tube side as being due to disorder scattering inside the nanotube array.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2017

The effect of interstellar absorption on measurements of the baryon acoustic peak in the Lyman α forest

In recent years, the autocorrelation of the hydrogen Lyman α forest has been used to observe the baryon acoustic peak at redshift 2 < z < 3.5 using tens of thousands of QSO spectra from the BOSS survey. However, the interstellar medium of the Milky Way introduces absorption lines into the spectrum of any extragalactic source. These lines, while weak and undetectable in a single BOSS spectrum, could potentially bias the cosmological signal. In order to examine this, we generate absorption line maps by stacking over a million spectra of galaxies and QSOs. Here, we find that the systematics introduced are too small to affect the current accuracy of the baryon acoustic peak, but might be relevant to future surveys such as the Dark Energy Spectroscopic Instrument (DESI). We outline a method to account for this with future data sets.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Modeling the Electronic Absorption Spectra of the Indocarbocyanine Cy3

Accurate modeling of optical spectra requires careful treatment of the molecular structures and vibronic, environmental, and thermal contributions. The accuracy of the computational methods used to simulate absorption spectra is limited by their ability to account for all the factors that affect the spectral shapes and energetics. The ensemble-based approaches are widely used to model the absorption spectra of molecules in the condensed-phase, and their performance is system dependent. The Franck–Condon approach is suitable for simulating high resolution spectra of rigid systems, and its accuracy is limited mainly by the harmonic approximation. In this work, the absorption spectrum of the widely used cyanine Cy3 is simulated using the ensemble approach via classical and quantum sampling, as well as, the Franck–Condon approach. The factors limiting the ensemble approaches, including the sampling and force field effects, are tested, while the vertical and adiabatic harmonic approximations of the Franck–Condon approach are also systematically examined. Our results show that all the vertical methods, including the ensemble approach, are not suitable to model the absorption spectrum of Cy3, and recommend the adiabatic methods as suitable approaches for the modeling of spectra with strong vibronic contributions. We find that the thermal effects, the low frequency modes, and the simultaneous vibrational excitations have prominent contributions to the Cy3 spectrum. The inclusion of the solvent stabilizes the energetics significantly, while its negligible effect on the spectral shapes aligns well with the experimental observations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1972

Input noise approximation in tracker modeling

The validity of approximating random Gaussian distributed inputs used in human response modeling by sums of discrete sine waves is studied. An ideal rectangular power density spectrum is simulated using both filtered Gaussian white noise and sums-of-discrete sine waves with three different input cutoff frequencies in the same compensatory tracking task. Resulting normalized tracking error and quality operator observations are used to investigate apparent discrepancies in human operator characteristics. Results show that discrete and continuous input tracking data compare favorable when the power in the crossover region is taken into account.

Torrey, P. F.↗

NASA NTRS1980

The cosmic X-ray background

The cosmic X-ray experiment carried out with the A2 Instrument on HEAO-1 made systematics-free measurements of the extra-galactic X-ray sky and yielded the broadband spectral characteristics for two extreme aspects of this radiation. For the apparently isotropic radiation of cosmological origin that dominates the extragalactic X-ray flux ( 3 keV), the spectrum over the energy band of maximum intensity is remarkably well described by a thermal model with a temperature of a half-billion degrees. At the other extreme, broadband observations of individual extragalactic X-ray sources with HEAO-1 are restricted to objects within the present epoch. While the non-thermal hard spectral components associated with unevolved X-ray emitting active galaxies could account for most of the gamma-ray background, the contribution of such sources to the X-ray background must be relatively small. In contrast, the 'deep-space' sources detected in soft X-rays with the HEAO-2 telescope probably represent a major portion of the extragalactic soft X-ray ( 3 keV) background.

Boldt, E. A.↗

NASA NTRS1992

Novel transmission lines for the submillimeter-wave region

Accounts are given of the two approaches to the design of low-loss sub-mm-wave transmission lines for intelligent computer control guidance, command systems for space applications, and sensors operating in an optically opaque environment. These are: (1) the extension of the mm-wave monolithic technology to higher frequencies, although this approach is restricted to the lower end of the sub-mm spectrum, up to 500 GHz, due to ohmic losses; and (2) the extension of optical techniques to lower frequencies. This second approach is also limited, to the higher end of the sub-mm spectrum. Available characterizations of these technologies' electrical properties are presented.

Katehi, Linda P. B.↗

NASA NTRS1987

Microwave dielectric spectrum of vegetation. I - Experimental observations. II - Dual-dispersion model

The microwave dielectric behavior of vegetation materials is examined as a function of water content, microwave frequency, and temperature. Dielectric spectra for various types of vegetation, such as leaves, stalks, and trunks at various moisture conditions, were measured using a coaxial probe technique. The basic features and operation of the coaxial probe system are described. Examples of dielectric measurements for the vegetation materials are presented, and the relation between temperature and the dielectric constant is studied. The development of a dual-dispersion model that accounts for the dielectric properties of water in both free and bound conditions is described. The applicability of the model is evaluated by comparing it with the dielectric data; good correlation is observed between the model and the data over a wide range of moisture conditions and over the 0.2-20 GHz range.

El-Rayes, Mohamed A.↗

DOE OSTI2014

Novel attributes in modeling and optimizing of the new graphene based In{sub x}Ga{sub 1−x}N Schottky barrier solar cells

Based on the ability of In{sub x}Ga{sub 1−x}N materials to optimally span the solar spectrum and their superior radiation resistance, solar cells based on p-type In{sub x}Ga{sub 1−x}N with low indium contents and interfacing with graphene film (G/In{sub x}Ga{sub 1−x}N), is proposed to exploit the benefit of transparency and work function tunability of graphene. Then, their solar power conversion efficiency modeled and optimized using a new analytical approach taking into account all recombination processes and accurate carrier mobility. Furthermore, their performance was compared with graphene on silicon counterparts and G/p-In{sub x}Ga{sub 1−x}N showed relatively smaller short-circuits current (∼7 mA/cm{sup 2}) and significantly higher open-circuit voltage (∼4 V) and efficiency (∼30%). The thickness, doping concentration, and indium contents of p-In{sub x}Ga{sub 1−x}N and graphene work function were found to substantially affect the performance of G/p-In{sub x}Ga{sub 1−x}N.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Parametric generation of broadband biphotons in a periodic sequence of thin crystals

Collinear parametric scattering of light under type-II phase matching is considered in a periodic sequence of nonlinear cells made of BBO crystals. The possibilities of reducing the duration of the wave packets of biphotons and increasing their intensity under monochromatic pumping are studied. The analysis is based on the account of dispersion of the refractive indices using Sellmeier equations. The obtained results allow one to conclude that at an appropriate choice of the crystal thicknesses and the number of cells, it is possible to significantly increase the flux of broadband biphotons and obtain extremely short quantum packets. It is shown that for sufficiently small thicknesses of individual crystals (layers), this system exhibits a fine structure in the spectrum of biphotons: with an increase in the number of cells (layers) the broadband spectrum is divided into a number of narrow bands and the number of these bands increases. When use is made of a nonlinear BBO crystal, this method allows one to obtain ultrashort packets of biphotons with duration τ{sub 0} ≈ 2 fs. Compared with a different method of generation of broadband biphotons, which is based on the use of quasi-phase-matched periodically poled crystals, the method studied in this paper does not necessitate the need for the phase modulation of a biphoton to be converted into the amplitude modulation. (nonlinear optical phenomena)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Baryonic effects in the Effective Field Theory of Large-Scale Structure and an analytic recipe for lensing in CMB-S4

Upcoming Large-Scale Structure surveys will likely become the next leading sources of cosmological information, making it crucial to have a precise understanding of the influence of baryons on cosmological observables. The Effective Field Theory of Large-Scale Structure (EFTofLSS) provides a consistent way to predict the clustering of dark matter and baryons on large scales, where their leading corrections in perturbation theory are given by a simple and calculable functional form even after the onset of baryonic processes. In this paper, we extend the two-fluid-like system up to two-loop order in perturbation theory. Along the way, we show that a new linear counterterm proportional to the relative velocity of the fluids could generically be present, but we show that its effects are expected to be small in our universe. Regardless, we show how to consistently perform perturbation theory in the presence of this new term. We find that the EFTofLSS at two-loop order can accurately account for the details of baryonic processes on large scales. Additionally, we compare our results to a hydrodynamical N-body simulation at many redshifts and find that the counterterms associated with the leading corrections to dark matter and baryons start to differ between redshifts z ≈ 3 and z ≈ 2, signaling the onset of star-formation physics. We then use these fits to compute the lensing power spectrum, show that the understanding of baryonic processes will be important for analyzing CMB-S4 data, and show that the two-loop EFTofLSS accurately captures these effects for ℓ ≲ 2000. Our results are also potentially of interest for current and future weak lensing surveys.

79 ASTRONOMY AND ASTROPHYSICS↗