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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Inversion of geothermal heat flux in a thermomechanically coupled nonlinear Stokes ice sheet model

We address the inverse problem of inferring the basal geothermal heat flux from surface velocity observations using a steady-state thermomechanically coupled nonlinear Stokes ice flow model. This is a challenging inverse problem since the map from basal heat flux to surface velocity observables is indirect: the heat flux is a boundary condition for the thermal advection–diffusion equation, which couples to the nonlinear Stokes ice flow equations; together they determine the surface ice flow velocity. This multiphysics inverse problem is formulated as a nonlinear least-squares optimization problem with a cost functional that includes the data misfit between surface velocity observations and model predictions. A Tikhonov regularization term is added to render the problem well posed. We derive adjoint-based gradient and Hessian expressions for the resulting partial differential equation (PDE)-constrained optimization problem and propose an inexact Newton method for its solution. As a consequence of the Petrov–Galerkin discretization of the energy equation, we show that discretization and differentiation do not commute; that is, the order in which we discretize the cost functional and differentiate it affects the correctness of the gradient. Using two- and three-dimensional model problems, we study the prospects for and limitations of the inference of the geothermal heat flux field from surface velocity observations. The results show that the reconstruction improves as the noise level in the observations decreases and that short-wavelength variations in the geothermal heat flux are difficult to recover. We analyze the ill-posedness of the inverse problem as a function of the number of observations by examining the spectrum of the Hessian of the cost functional. Motivated by the popularity of operator-split or staggered solvers for forward multiphysics problems – i.e., those that drop two-way coupling terms to yield a one-way coupled forward Jacobian – we study the effect on the inversion of a one-way coupling of the adjoint energy and Stokes equations. Here, we show that taking such a one-way coupled approach for the adjoint equations can lead to an incorrect gradient and premature termination of optimization iterations. This is due to loss of a descent direction stemming from inconsistency of the gradient with the contours of the cost functional. Nevertheless, one may still obtain a reasonable approximate inverse solution particularly if important features of the reconstructed solution emerge early in optimization iterations, before the premature termination.

15 GEOTHERMAL ENERGY↗
NASA NTRS2000

Interferometry in the Extreme Ultraviolet and X-Ray

We report on demonstration of an x-ray interferometer that uses plane mirrors at grazing incidence to create interference fringes in the extreme ultraviolet and soft x-ray portions of the spectrum. X-ray interferometry has historically been implemented through narrow band, diffractive systems that split the wavefront. Our system, by using two separate optical channels to create interference from two areas of the wavefront, has broad band response and much higher efficiency. We discuss some applications of this technique to astronomy and microscopy including the possibility of eventually capturing a micro-arcsecond image of a black hole.

Cash, W.↗
DOE OSTI2016

The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: RSD measurement from the power spectrum and bispectrum of the DR12 BOSS galaxies

In this paper, we measure and analyse the bispectrum of the final data release 12 (DR12), galaxy sample provided by the Baryon Oscillation Spectroscopic Survey, splitting by selection algorithm into LOWZ and CMASS galaxies. The LOWZ sample contains 361 762 galaxies with an effective redshift of z LOWZ = 0.32, and the CMASS sample contains 777 202 galaxies with an effective redshift of z CMASS = 0.57. Combining the power spectrum, measured relative to the line of sight, with the spherically averaged bispectrum, we are able to constrain the product of the growth of structure parameter, ƒ, and the amplitude of dark matter density fluctuations, σ 8 , along with the geometric Alcock–Paczynski parameters, the product of the Hubble constant and the comoving sound horizon at the baryon drag epoch, H(z)r s (z d ), and the angular distance parameter divided by the sound horizon, D A (z)/r s (z d ). After combining pre-reconstruction RSD analyses of the power spectrum monopole, quadrupole and bispectrum monopole with post-reconstruction analysis of the BAO power spectrum monopole and quadrupole, we find ƒ( z LOWZ)σ 8 ( z LOWZ) = 0.427 ± 0.056, D A ( z LOWZ)/r s (z d ) = 6.60 ± 0.13, H ( z LOWZ)r s (z d ) = (11.55 ± 0.38)10 3 km s -1 for the LOWZ sample, and f(zCMASS)σ8(zCMASS) = 0.426 ± 0.029, D A ( z CMASS)/r s (z d ) = 9.39 ± 0.10, H ( z CMASS)r s (z d ) = (14.02 ± 0.22)10 3 km s -1 for the CMASS sample. In conclusion, we find general agreement with previous Baryon Oscillation Spectroscopic Survey DR11 and DR12 measurements. Combining our data set with Planck15 we perform a null test of General Relativity through the γ-parametrization finding γ=0.733$ ^{+0.068}_{-0.069} $, which is ∼2.7σ away from the General Relativity predictions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Planck intermediate results: LI. Features in the cosmic microwave background temperature power spectrum and shifts in cosmological parameters

We present that the six parameters of the standard ΛCDM model have best-fit values derived from the Planck temperature power spectrum that are shifted somewhat from the best-fit values derived from WMAP data. These shifts are driven by features in Planck the Planck temperature power spectrum at angular scales that had never before been measured to cosmic-variance level precision. We have investigated these shifts to determine whether they are within the range of expectation and to understand their origin in the data. Taking our parameter set to be the optical depth of the reionized intergalactic medium Τ, the baryon density ω b , the matter density ω m , the angular size of the sound horizon θ&lowast; the spectral index of the primordial power spectrum, n s , and A s e -2τ (where A s is the amplitude of the primordial power spectrum), we have examined the change in best-fit values between a WMAP-like large angular-scale data set (with multipole moment < 800 in the Planck temperature power spectrum) and an all angular-scale data set (< 2500 Planck temperature power spectrum), each with a prior on τ of 0.07 ± 0.02. We find that the shifts, in units of the 1σ expected dispersion for each parameter, are { Δτ,ΔA s e - 2τ ,Δn s ,Δω m ,Δω b ,Δθ&lowast; } = { -1.7,-2.2,1.2,-2.0,1.1,0.9 }, with a χ2 value of 8.0. We find that this χ2 value is exceeded in 15% of our simulated data sets, and that a parameter deviates by more than 2.2σ in 9% of simulated data sets, meaning that the shifts are not unusually large. Comparing &ell; < 800 instead to &ell; > 800, or splitting at a different multipole, yields similar results. We examined the &ell; < 800 model residuals in the &ell; > 800 power spectrum data and find that the features there that drive these shifts are a set of oscillations across a broad range of angular scales. Although they partly appear similar to the effects of enhanced gravitational lensing, the shifts in ΛCDM parameters that arise in response to these features correspond to model spectrum changes that are predominantly due to non-lensing effects; the only exception is Τ, which, at fixed A s e -2τ , affects the &ell; > 800 temperature power spectrum solely through the associated change in A s and the impact of that on the lensing potential power spectrum. We also ask, "what is it about the power spectrum at &ell; < 800 that leads to somewhat different best-fit parameters than come from the full range?" We find that if we discard the data at &ell; < 30, where there is a roughly 2σ downward fluctuation in power relative to the model that best fits the full range, the &ell; < 800 best-fit parameters shift significantly towards the &ell; < 2500 best-fit parameters. In contrast, including &ell; < 30, this previously noted "low-deficit" drives n s up and impacts parameters correlated with n s , such as ω m and H 0 . As expected, the &ell; < 30 data have a much greater impact on the &ell; < 800 best fit than on the &ell; < 2500 best fit. So although the shifts are not very significant, we find that they can be understood through the combined effects of an oscillatory-like set of high-residuals and the deficit in low-power, excursions consistent with sample variance that happen to map onto changes in cosmological parameters. Finally, we examine agreement between PlanckTT data and two other CMB data sets, namely the Planck lensing reconstruction and the TT power spectrum measured by the South Pole Telescope, again finding a lack of convincing evidence of any significant deviations in parameters, suggesting that current CMB data sets give an internally consistent picture of the ΛCDM model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Velocity-Map Imaging and Magnetic-Bottle Photoelectron Spectroscopy of [SeCCH] – : Electronic Properties and Spin–Orbit Splitting

In this work, the recently synthesized acetylide compound KSeCCH containing the main group element selenium within the novel and in crystalline form unprecedented [SeCCH] – anion was successfully investigated in the gas phase by high-resolution velocity-map imaging (VMI) and magnetic-bottle (MB) photoelectron spectroscopy coupled with an electrospray ionization source. Both VMI and MB spectra exhibited identical electron affinities (EA, 2.517 ± 0.002 eV), spin–orbit coupling (SOC) splittings (1492 ± 20 cm –1 ), and Se–C stretching frequencies (573 ± 20 cm –1 ) of the corresponding neutral tetra-atomic radical [SeCCH] • with the VMI spectrum possessing six times higher spectral resolution compared with the MB spectrum. These experimental values were well reproduced by calculations at the CCSD(T) level, in which both the isolated [SeCCH] – anion and the [SeCCH] • radical adopted linear geometries. The simulated spectra based on the calculated Franck–Condon factors, the SOC splitting, and the experimental line width matched well with the measured spectra. Furthermore, comparisons of the EA and SOC splitting values with the previously reported isolobal species [SeCN] • are also made and discussed. The decrease in the EA and SOC splitting of [SeCCH] • is ascribed to the differences in the electronegativities between C and N atoms as well as the electron density on the Se atom in its singly occupied molecular orbital (SOMO).

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

Unification and new particles at the LHC

Precision gauge coupling uni cation is one of the primary quantitative successes of low energy or split supersymmetry. Preserving this success puts severe restrictions on possible matter and gauge sectors that might appear at collider-accessible energies. In this study we enumerate new gauge sectors which are compatible with uni cation, consisting of horizontal gauge groups acting on vector-like matter charged under the Standard Model. Interestingly, almost all of these theories are in the supersymmetric conformal window at high energies and con ne quickly after the superpartners are decoupled. For a range of scalar masses compatible with both moderately tuned and minimally split supersymmetry, the con ning dynamics happen at the multi-TeV scale, leading to a spectrum of multiple spin-0 and spin-1 resonances accessible to the LHC, with unusual quantum numbers and striking decay patterns.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1991

Physics of the infrared spectrum

The IR bandpass is attractive for solar magnetic field studies in virtue of the proportionality to wavelength of the ratio of Zeeman splitting to line width. The large Zeeman splitting and optical thinness of the 12-micron observations render them especially useful for vector magnetic field derivations. The IR continuum, and many IR spectral lines, are formed in LTE and are useful in studies of the temperature structure of the solar atmosphere from the deepest observable photospheric layers to chromospheric altitudes. The far-IR continuum is an excellent thermometer for the upper photosphere and chromosphere.

Deming, Drake↗
NASA NTRSDate not supplied

Effect of Electronic Shot Noise on Dynamic Measurements using Optical Techniques: Examples from Rayleigh Scattering and Unsteady PSP

Electronic shot noise is an unavoidable reality in all optical techniques that depend on measuring light intensity. For steady-state, time-averaged measurements the impact of shot noise can be easily reduced by increasing the exposure time, or by averaging over multiple-exposures. That is not the case for unsteady measurements, where time histories of light intensity variations need to be created either by high-speed photography (unsteady PSP) or via photoelectron counting (spectrally resolved Rayleigh scattering) over short time durations using a photo-multiplier tube (PMT) and photon counting electronics. Electronic shot noise introduces a fixed amount of random error, which can overwhelm the light intensity variation caused by turbulent fluctuations. Spectrum computed from such time series shows a fixed noise floor that is independent of the number of data points in the time series. For a fixed optical system, where the collected power of the luminescent light (uPSP), or the scattered light (Rayleigh) is fixed, one needs to resort to special techniques to obtain enough signal-to noise ratio (SNR). For the uPSP application it is shown that averaging of the adjacent pixels improves SNR; although this may lead to a sacrifice of spatial resolution. A second means is to increase the exposure time, which leads to a lowering of the frequency range. For the Rayleigh application, improvements of SNR can be achieved via two different cross-correlation based approaches. The first involves measuring the light intensity using two PMTs using short, contiguous gates; thereby, creating two time-series of data. The second one involves collecting one long time-series of data using one set of measurement device, followed by an odd-even splitting into two time series. When the two time-series are cross-correlated, and a power spectrum is calculated, a significant reduction in the shot noise floor can be achieved. Examples from measurements of density and velocity fluctuations spectra from two different Rayleigh setup are presented to demonstrate the process.

uPSP↗
DOE OSTI2020

Local and global approaches to treat the torsional barriers of 4-methylacetophenone using microwave spectroscopy

The Fourier transform microwave spectrum of 4-methylacetophenone recorded from 8 GHz to 18 GHz under jet-cooled conditions has revealed large tunneling splittings arising from a low barrier to internal rotation of the ring methyl group and small splittings from a high torsional barrier of the acetyl methyl group. The large splittings are especially challenging to model, while the small splittings are difficult to analyze due to the resolution limit of 120 kHz. The combination of two methyl groups undergoing internal rotations caused each rotational transition to split into five torsional species, which were resolved and fitted using a modified version of the XIAM code and the newly devel- oped ntop code to a root-mean-square deviation close to measurement accuracy, providing an estimate of the V 3 potential barriers of about 22 cm -1 and 584–588 cm -1 for the ring and the acetyl methyl groups, respectively. The assignment was aided by separately fitting the five torsional species using odd-power order operators. Only one conformer in which all heavy atoms are located on a symmetry plane could be identified in the spectrum, in agreement with results from conformation analysis using quantum chemical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Solving the Bethe-Salpeter equation on a subspace: Approximations and consequences for low-dimensional materials

It is well known that the ambient environment can dramatically renormalize the quasiparticle gap and exciton binding energies in low-dimensional materials, but the effect of the environment on the energy splitting of the spin-singlet and spin-triplet exciton states is less understood. A prominent effect is the renormalization of the exciton binding energy and optical strength (and hence the optical spectrum) through additional screening of the direct Coulomb term describing the attractive electron-hole interaction in the kernel of the Bethe-Salpeter equation. The repulsive exchange interaction responsible for the singlet-triplet splitting, on the other hand, is unscreened within formal many-body perturbation theory. However, Benedict argued that in practical calculations restricted to a subspace of the full Hilbert space, the exchange interaction should be appropriately screened by states outside of the subspace, the so-called S approximation [L. X. Benedict, Phys. Rev. B 66, 193105 (2002)PRBMDO0163-182910.1103/PhysRevB.66.193105]. Here, we systematically explore the accuracy of the S approximation for different confined systems, including a molecule and heterostructures of semiconducting and metallic layered materials. We show that the S approximation is actually exact in the limit of small exciton binding energies (i.e., small direct term) and can be used to significantly accelerate convergence of the exciton energies with respect to the number of empty states, provided that a particular effective screening consistent with the conventional Tamm-Dancoff approximation is employed. We further find that the singlet-triplet splitting in the energy of the excitons is largely unaffected by the external dielectric environment for most quasi-two-dimensional materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Effect of lateral size and thickness on the electronic structure and optical properties of quasi two-dimensional CdSe and CdS nanoplatelets

The effect of lateral size and vertical thickness of CdSe and CdS nanoplatelets (NPLs) on their electronic structure and optical properties are investigated using an effective-mass envelope function theory based on the 8-band k ⋅ p model with valence force field considerations. Volumetrically larger NPLs have lower photon emission energy due to limited quantum confinement, but a greater transition matrix element (TME) due to larger electron-hole wavefunction overlap. The optical gain characteristics depend on several factors such as TME, Fermi factor, carrier density, NPL dimensions, material composition, and dephasing rate. There is a red shift in the peak position, more so with an increase in thickness than lateral size. For an increasing carrier density, the gain spectrum undergoes a slight blue shift due to band filling effect. For a fixed carrier density, the Fermi factor is higher for volumetrically larger NPLs and so is the difference between the quasi-Fermi level separation and the effective bandgap. The transparency injection carrier density (and thus input current density threshold) is dimension dependent and falls for volumetrically larger NPLs, as they can attain the requisite exciton count for transparency with a relatively lower density. Between CdSe and CdS, CdSe has lower emission energy due to smaller bandgap, but a higher TME due to lower effective mass. CdS, however, has a higher so hole contribution due to a lower spin-orbit splitting energy. Both CdSe and CdS NPLs are suitable candidates for short-wavelength LEDs and lasers in the visible spectrum, but CdSe is expected to exhibit better optical performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Bond Length Alternation and Internal Dynamics in Model Aromatic Substituents of Lignin

In this report broadband microwave spectra were recorded over the 2-18 GHz frequency range for a series of four model aromatic components of lignin; namely, guaiacol (ortho-methoxy phenol, G), syringol (2,6-dimethoxy phenol, S), 4-methyl guaiacol (MG), and 4-vinyl guaiacol (VG), under jet-cooled conditions in the gas phase. Using a combination of 13 C isotopic data and electronic structure calculations, distortions of the phenyl ring by the substituents on the ring are identified. In all four molecules, the r C(1)-C(6) bond between the two substituted C-atoms lengthens, leading to clear bond alternation that reflects an increase in the phenyl ring resonance structure with double bonds at r C(1)-C(2) , r C(3)-C(4) and r C(5)-C(6) . Syringol, with its symmetric methoxy substituents, possesses a microwave spectrum with tunneling doublets in the a-type transitions associated with H-atom tunneling. These splittings were fit to determine a barrier to hindered rotation of the OH group of 1975 cm -1 , a value nearly 50% greater than that in phenol, due to the presence of the intramolecular OH…OCH 3 H-bonds at the two equivalent planar geometries. In 4-methyl guaiacol, methyl rotor splittings are observed and used to confirm and refine an earlier measurement of the three-fold barrier V 3 = 67 cm -1 . Finally, 4-vinyl guaiacol shows transitions due to two conformers differing in the relative orientations of the vinyl and OH groups.

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

Hybrid strategies and technologies for full spectrum solar conversion

Harvesting the full spectrum of sunlight using a hybrid approach offers the potential for higher efficiencies, lower power production costs, and increased power grid compatibility than any single technology by itself. In this article, the base technologies for converting sunlight into electricity, including photovoltaics and solar thermal approaches are discussed. Then feasible strategies for combining them to utilize the various portions of the solar spectrum most effectively are discussed. In this study, we particularly focus on the advantages of a spectral splitting approach. This helps to convert higher energy photons (UV and visible) directly into electrons using optimized single or tandem photovoltaic (PV) cells, while capturing lower energy photons as heat using a selective solar absorber, which absorbs photons within a range of energies, down to a cutoff in the mid-infrared. The solar heat is then thermally concentrated and driven through a high temperature thermoelectric generator on top of a high efficiency mechanical engine (e.g., a steam-driven Rankine cycle) through a heat exchanger, which connects to both thermal storage and the mechanical engine at 550 °C. The thermal storage allows for significant flexibility in the time of power generation (also known as dispatchability) at a modest cost. Furthermore, the system can produce power for hours after sunset. Ideally, the system can achieve efficiencies over 50% using a combination of an InAlAs/InGaP tandem photovoltaics, ErAs:(InGaAs) 1– x (InAlAs) x thermoelectrics, and mechanical Rankine cycles. The configuration and operating conditions can be optimized to minimize the levelized cost of energy (LCOE).

14 SOLAR ENERGY↗
DOE OSTI2023

Interplay between disorder, local relaxation, and collective behavior for an ensemble of emitters outside versus inside a cavity

The interplay between collective optical response and molecular static and dynamic disorder is studied using simple effective Hamiltonians for an ensemble of two-level emitters inside and outside a single-mode cavity. We model environmental disorder by randomly modulating the molecular transition frequencies and the coupling between the emitters and the electromagnetic field. We also consider the effects of intermolecular interactions and orientational disorder. We investigate how these effects lead to new features in the steady-state absorption (outside the cavity), transmission spectra (inside the cavity), and the yield of local molecular processes such as a unimolecular reaction. Outside the cavity, the collective behavior is manifested in the linewidth of the steady-state absorption, the emission spectrum, and the local chemical yield. Inside the cavity, however, the collective behavior primarily determines the Rabi splitting. The effects of intermolecular interactions under orientational disorder are also studied. For the most part, for all types of disorder, if we increase disorder, we find a reduction in the collective nature of the molecular response (smaller effective N) and therefore the Rabi splitting contraction occurs with orientational disorder. Furthermore, we find that static disorder is more destructive to collective behavior than dynamic disorder.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Multilayer photosensitive structures based on porous silicon and rare-earth-element compounds: Study of spectral characteristics

The spectral characteristics of the specular reflectance, photosensitivity, and photoluminescence (PL) of multilayer structures based on porous silicon with rare-earth-element (REE) ions are investigated. It is shown that the photosensitivity of these structures in the wavelength range of 0.4–1.0 μm is higher than in structures free of REEs. The structures with Er{sup 3+} ions exhibit a luminescence response at room temperature in the spectral range from 1.1 to 1.7 μm. The PL spectrum of the erbium impurity is characterized by a fine line structure, which is determined by the splitting of the {sup 4}I{sub 15/2} multiplet of the Er{sup 3+} ion. It is shown that the structures with a porous layer on the working surface have a much lower reflectance in the entire spectral range under study (0.2–1.0 μm).

36 MATERIALS SCIENCE↗
DOE OSTI2017

Broadband terahertz generation of metamaterials

Provided are systems and methods to generate single-cycle THz pulses from a few tens of nanometers thin layer of split ring resonators (SRRs) via optical rectification of femtosecond laser pulses. The emitted THz radiation, with a spectrum ranging from about 0.1 to 4 THz, arises exclusively from pumping the magnetic-dipole resonance of SRRs around 200 THz. This resonant enhancement, together with pump polarization dependence and power scaling of the THz emission, underpins the nonlinearity from optically induced circulating currents in SRRs, with a huge effective nonlinear susceptibility of 0.8.times.10.sup.-16 m.sup.2/V that far exceeds surface nonlinearities of both thin films and bulk organic/inorganic crystals and sheet nonlinearities of non-centrosymmetric materials such as ZnTe.

47 OTHER INSTRUMENTATION↗
DOE OSTI2015

Down-conversion photoluminescence sensitizing plasmonic silver nanoparticles on ZnO nanorods to generate hydrogen by water splitting photochemistry

Silver nanoparticles fabricated onto the surface of the ZnO nanorods form the photoanode and generate photoelectric current due to surface plasmon resonance, which serves as anode electrodes in photoelectrochemical hydrogen production. In order to increase the absorption spectrum of photoanode, organic pigments were utilized as photo-sensitizers to generate down-conversion photoluminescence to excite surface plasmon resonances of silver nanoparticles. The way of using light to carry the energy in electronic scattering regime runs the system for the enhancement of solar water splitting efficiency. It was significantly tuned in environmentally sustainable applications for power generation and development of alternative energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗