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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The putative center in NGC 1052

Context. Many active galaxies harbor powerful relativistic jets, however, the detailed mechanisms of their formation and acceleration remain poorly understood.Aims. To investigate the area of jet acceleration and collimation with the highest available angular resolution, we study the innermost region of the bipolar jet in the nearby low-ionization nuclear emission-line region (LINER) galaxy NGC 1052.Methods. We combined observations of NGC 1052 taken with VLBA, GMVA, and EHT over one week in the spring of 2017. Our study is focused on the size and continuum spectrum of the innermost region containing the central engine and the footpoints of both jets. We employed a synchrotron-self absorption model to fit the continuum radio spectrum and we combined the size measurements from close to the central engine out to ∼1 pc to study the jet collimation.Results. For the first time, NGC 1052 was detected with the EHT, providing a size of the central region in-between both jet bases of 43 μas perpendicular to the jet axes, corresponding to just around 250 RS (Schwarzschild radii). This size estimate supports previous studies of the jets expansion profile which suggest two breaks of the profile at around 3 × 103 RS and 1 × 104 RS distances to the core. Furthermore, we estimated the magnetic field to be 1.25 Gauss at a distance of 22 μas from the central engine by fitting a synchrotron-self absorption spectrum to the innermost emission feature, which shows a spectral turn-over at ∼130 GHz. Assuming a purely poloidal magnetic field, this implies an upper limit on the magnetic field strength at the event horizon of 2.6 × 104 Gauss, which is consistent with previous measurements.Conclusions. The complex, low-brightness, double-sided jet structure in NGC 1052 makes it a challenge to detect the source at millimeter (mm) wavelengths. However, our first EHT observations have demonstrated that detection is possible up to at least 230 GHz. This study offers a glimpse through the dense surrounding torus and into the innermost central region, where the jets are formed. This has enabled us to finally resolve this region and provide improved constraints on its expansion and magnetic field strength.Key words: methods: observational / techniques: high angular resolution / techniques: interferometric / galaxies: active / galaxies: jets / galaxies: Seyfert⋆⋆ NASA Hubble Fellowship Program, Einstein Fellow.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Effects of laser energy fluence on the onset and growth of the Rayleigh-Taylor instabilities and its influence on the topography of the Fe thin film grown in pulsed laser deposition facility

The effect of laser energy fluence on the onset and growth of Rayleigh-Taylor (RT) instabilities in laser induced Fe plasma is investigated using time-resolved fast gated imaging. The snow plow and shock wave models are fitted to the experimental results and used to estimate the ablation parameters and the density of gas atoms that interact with the ablated species. It is observed that RT instability develops during the interface deceleration stage and grows for a considerable time for higher laser energy fluence. The effects of RT instabilities formation on the surface topography of the Fe thin films grown in pulsed laser deposition system are investigated (i) using different laser energy fluences for the same wavelength of laser radiation and (ii) using different laser wavelengths keeping the energy fluence fixed. It is concluded that the deposition achieved under turbulent condition leads to less smooth deposition surfaces with bigger sized particle agglomerates or network.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Absolute spectral characterization of silicon barrier diode: Application to soft X-ray fusion diagnostics at Tore Supra

This paper presents an experimental protocol for absolute calibration of photo-detectors. Spectral characterization is achieved by a methodology that unlike the usual line emissions-based method, hinges on the Bremsstrahlung radiation of a Soft X-Ray (SXR) tube only. Although the proposed methodology can be applied virtually to any detector, the application presented in this paper is based on Tore Supra's SXR diagnostics, which uses Silicon Surface Barrier Diodes. The spectral response of these n-p junctions had previously been estimated on a purely empirical basis. This time, a series of second-order effects, like the spatial distribution of the source radiated power or multi-channel analyser non linearity, are taken into account to achieve accurate measurements. Consequently, a parameterised physical model is fitted to experimental results and the existence of an unexpected dead layer (at least 5 {mu}m thick) is evidenced. This contribution also echoes a more general on-going effort in favour of long-term quality of passive radiation measurements on Tokamaks.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Size-exclusion partitioning of neutral solutes in crosslinked polymer networks: A Monte Carlo simulation study

In this work, the size-exclusion partitioning of neutral solutes in crosslinked polymer networks has been studied through Monte Carlo simulations. Two models that provide user-friendly expressions to predict the partition coefficient have been tested over a wide range of volume fractions: Ogston's model (especially devised for fibrous media) and the pore model. The effects of crosslinking and bond stiffness have also been analyzed. Our results suggest that the fiber model can acceptably account for size-exclusion effects in crosslinked gels. Its predictions are good for large solutes if the fiber diameter is assumed to be the effective monomer diameter. For solutes sizes comparable to the monomer dimensions, a smaller fiber diameter must be used. Regarding the pore model, the partition coefficient is poorly predicted when the pore diameter is estimated as the distance between adjacent crosslinker molecules. On the other hand, our results prove that the pore sizes obtained from the pore model by fitting partitioning data of swollen gels are overestimated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Two-state theory of binned photon statistics for a large class of waiting time distributions and its application to quantum dot blinking

A theoretical method is proposed for the calculation of the photon counting probability distribution during a bin time. Two-state fluorescence and steady excitation are assumed. A key feature is a kinetic scheme that allows for an extensive class of stochastic waiting time distribution functions, including power laws, expanded as a sum of weighted decaying exponentials. The solution is analytic in certain conditions, and an exact and simple expression is found for the integral contribution of “bright” and “dark” states. As an application for power law kinetics, theoretical results are compared with experimental intensity histograms from a number of blinking CdSe/ZnS quantum dots. The histograms are consistent with distributions of intensity states around a “bright” and a “dark” maximum. A gap of states is also revealed in the more-or-less flat inter-peak region. The slope and to some extent the flatness of the inter-peak feature are found to be sensitive to the power-law exponents. Possible models consistent with these findings are discussed, such as the combination of multiple charging and fluctuating non-radiative channels or the multiple recombination center model. A fitting of the latter to experiment provides constraints on the interaction parameter between the recombination centers. Further extensions and applications of the photon counting theory are also discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Electron scattering mechanisms in Cu-Mn films for interconnect applications

Electrical properties and corresponding structural features of Cu-Mn alloy films with potential application as barrier and interconnect layers were studied. Cu-Mn films were deposited by DC magnetron sputtering at room temperature on SiO{sub 2} substrates. Electrical resistivity measurements were made as a function of film composition and temperature. The specific resistivity varies linearly with the Mn content showing a maximum of 205 μΩcm at 80 at. % Mn. The temperature coefficient of resistance (TCR) of all alloy films is low, showing non-metallic conductivity for most compositions. Also a minimum TCR has been observed in the 40–80 at. % Mn range which was attributed to a magnetic transformation around 200–300 K. Electrical resistivity measurements are correlated with the film structure revealed by transmission electron microscopy to clarify the phase regions throughout the composition range. In the 20–40 at. % and 70–80 at. % Mn ranges, two-phase structures were identified, where Cu- or Mn-rich solid solution grains were surrounded by a thin amorphous covering layer. Based on the revealed phase regions and morphologies electron scattering mechanisms in the system were evaluated by combining the Matthiessen's rule and the Mayadas-Schatzkes theory. Grain boundary reflectivity coefficients (r = 0.6–0.8) were calculated from fitting the model to the measurements. The proposed model indicates that, in a binary system, the special arrangement of the two phases results in new scattering mechanisms. The results are of value in optimizing the various parameters needed to produce a suitable barrier layer.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Order and correlation contributions to the entropy of hydrophobic solvation

The entropy of hydrophobic solvation has been explained as the result of ordered solvation structures, of hydrogen bonds, of the small size of the water molecule, of dispersion forces, and of solvent density fluctuations. We report a new approach to the calculation of the entropy of hydrophobic solvation, along with tests of and comparisons to several other methods. The methods are assessed in the light of the available thermodynamic and spectroscopic information on the effects of temperature on hydrophobic solvation. Five model hydrophobes in SPC/E water give benchmark solvation entropies via Widom’s test-particle insertion method, and other methods and models are tested against these particle-insertion results. Entropies associated with distributions of tetrahedral order, of electric field, and of solvent dipole orientations are examined. We find these contributions are small compared to the benchmark particle-insertion entropy. Competitive with or better than other theories in accuracy, but with no free parameters, is the new estimate of the entropy contributed by correlations between dipole moments. Dipole correlations account for most of the hydrophobic solvation entropy for all models studied and capture the distinctive temperature dependence seen in thermodynamic and spectroscopic experiments. Entropies based on pair and many-body correlations in number density approach the correct magnitudes but fail to describe temperature and size dependences, respectively. Hydrogen-bond definitions and free energies that best reproduce entropies from simulations are reported, but it is difficult to choose one hydrogen bond model that fits a variety of experiments. The use of information theory, scaled-particle theory, and related methods is discussed briefly. Our results provide a test of the Frank-Evans hypothesis that the negative solvation entropy is due to structured water near the solute, complement the spectroscopic detection of that solvation structure by identifying the structural feature responsible for the entropy change, and point to a possible explanation for the observed dependence on length scale. Our key results are that the hydrophobic effect, i.e. the signature, temperature-dependent, solvation entropy of nonpolar molecules in water, is largely due to a dispersion force arising from correlations between rotating permanent dipole moments, that the strength of this force depends on the Kirkwood g-factor, and that the strength of this force may be obtained exactly without simulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Analyzing the kinetic response of tin oxide-carbon and tin oxide-CNT composites gas sensors for alcohols detection

Tin oxide nanoparticles are synthesized using solution combustion technique and tin oxide – carbon composite thick films are fabricated with amorphous carbon as well as carbon nanotubes (CNTs). The x-ray diffraction, Raman spectroscopy and porosity measurements show that the as-synthesized nanoparticles are having rutile phase with average crystallite size ∼7 nm and ∼95 m{sup 2}/g surface area. The difference between morphologies of the carbon doped and CNT doped SnO{sub 2} thick films, are characterized using scanning electron microscopy and transmission electron microscopy. The adsorption-desorption kinetics and transient response curves are analyzed using Langmuir isotherm curve fittings and modeled using power law of semiconductor gas sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Focus: Two-dimensional electron-electron double resonance and molecular motions: The challenge of higher frequencies

The development, applications, and current challenges of the pulsed ESR technique of two-dimensional Electron-Electron Double Resonance (2D ELDOR) are described. This is a three-pulse technique akin to 2D Exchange Nuclear Magnetic Resonance, but involving electron spins, usually in the form of spin-probes or spin-labels. As a result, it required the extension to much higher frequencies, i.e., microwaves, and much faster time scales, with π/2 pulses in the 2-3 ns range. It has proven very useful for studying molecular dynamics in complex fluids, and spectral results can be explained by fitting theoretical models (also described) that provide a detailed analysis of the molecular dynamics and structure. We discuss concepts that also appear in other forms of 2D spectroscopy but emphasize the unique advantages and difficulties that are intrinsic to ESR. Advantages include the ability to tune the resonance frequency, in order to probe different motional ranges, while challenges include the high ratio of the detection dead time vs. the relaxation times. We review several important 2D ELDOR studies of molecular dynamics. (1) The results from a spin probe dissolved in a liquid crystal are followed throughout the isotropic → nematic → liquid-like smectic → solid-like smectic → crystalline phases as the temperature is reduced and are interpreted in terms of the slowly relaxing local structure model. Here, the labeled molecule is undergoing overall motion in the macroscopically aligned sample, as well as responding to local site fluctuations. (2) Several examples involving model phospholipid membranes are provided, including the dynamic structural characterization of the boundary lipid that coats a transmembrane peptide dimer. Additionally, subtle differences can be elicited for the phospholipid membrane phases: liquid disordered, liquid ordered, and gel, and the subtle effects upon the membrane, of antigen cross-linking of receptors on the surface of plasma membrane, vesicles can be observed. These 2D ELDOR experiments are performed as a function of mixing time, T{sub m}, i.e., the time between the second and third π/2 pulses, which provides a third dimension. In fact, a fourth dimension may be added by varying the ESR frequency/magnetic field combination. Therefore, (3) it is shown how continuous-wave multifrequency ESR studies enable the decomposition of complex dynamics of, e.g., proteins by virtue of their respective time scales. These studies motivate our current efforts that are directed to extend 2D ELDOR to higher frequencies, 95 GHz in particular (from 9 and 17 GHz), in order to enable multi-frequency 2D ELDOR. This required the development of quasi-optical methods for performing the mm-wave experiments, which are summarized. We demonstrate state-of-the-art 95 GHz 2D ELDOR spectroscopy through its ability to resolve the two signals from a spin probe dissolved in both the lipid phase and the coexisting aqueous phase. As current 95 GHz experiments are restricted by limited spectral coverage of the π/2 pulse, as well as the very short T{sub 2} relaxation times of the electron spins, we discuss how these limitations are being addressed.

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

Optical characteristics of p-type GaAs-based semiconductors towards applications in photoemission infrared detectors

Free-carrier effects in a p-type semiconductor including the intra-valence-band and inter-valence-band optical transitions are primarily responsible for its optical characteristics in infrared. Attention has been paid to the inter-valence-band transitions for the development of internal photoemission (IPE) mid-wave infrared (MWIR) photodetectors. The hole transition from the heavy-hole (HH) band to the spin-orbit split-off (SO) band has demonstrated potential applications for 3–5 μm detection without the need of cooling. However, the forbidden SO-HH transition at the Γ point (corresponding to a transition energy Δ{sub 0}, which is the split-off gap between the HH and SO bands) creates a sharp drop around 3.6 μm in the spectral response of p-type GaAs/AlGaAs detectors. Here, we report a study on the optical characteristics of p-type GaAs-based semiconductors, including compressively strained InGaAs and GaAsSb, and a dilute magnetic semiconductor, GaMnAs. A model-independent fitting algorithm was used to derive the dielectric function from experimental reflection and transmission spectra. Results show that distinct absorption dip at Δ{sub 0} is observable in p-type InGaAs and GaAsSb, while GaMnAs displays enhanced absorption without degradation around Δ{sub 0}. This implies the promise of using GaMnAs to develop MWIR IPE detectors. Discussions on the optical characteristics correlating with the valence-band structure and free-hole effects are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Ge auto-doping and out-diffusion in InGaP grown on Ge substrate and their effects on the ordering of InGaP

We report on the Ge auto-doping and out-diffusion in InGaP epilayer with Cu-Pt ordering grown on 4-in. Ge substrate. Ge profiles determined from secondary ion mass spectrometry indicate that the Ge out-diffusion depth is within 100 nm. However, the edge of the wafer suffers from stronger Ge gas-phase auto-doping than the center, leading to ordering deterioration in the InGaP epilayer. In the edge, we observed a residual Cu-Pt ordering layer left beneath the surface, suggesting that the ordering deterioration takes place after the deposition rather than during the deposition and In/Ga inter-diffusion enhanced by Ge vapor-phase auto-doping is responsible for the deterioration. We thus propose a di-vacancy diffusion model, in which the amphoteric Ge increases the di-vacancy density, resulting in a Ge density dependent diffusion. In the model, the In/Ga inter-diffusion and Ge out-diffusion are realized by the random hopping of In/Ga host atoms and Ge atoms to di-vacancies, respectively. Simulation based on this model well fits the Ge out-diffusion profiles, suggesting its validity. By comparing the Ge diffusion coefficient obtained from the fitting and the characteristic time constant of ordering deterioration estimated from the residual ordering layer, we found that the hopping rates of Ge and the host atoms are in the same order of magnitude, indicating that di-vacancies are bound in the vicinity of Ge atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Frequency-domain hot-wire sensor and 3D model for thermal conductivity measurements of reactive and corrosive materials at high temperatures

High temperature solids and liquids are becoming increasingly important in next-generation energy and manufacturing systems that seek higher efficiencies and lower emissions. Accurate measurements of thermal conductivity at high temperatures are required for the modeling and design of these systems, but commonly employed time-domain measurements can have errors from convection, corrosion, and ambient temperature fluctuations. Here, we describe the development of a frequency-domain hot-wire technique capable of accurately measuring the thermal conductivity of solid and molten compounds from room temperature up to 800 °C. Therefore, by operating in the frequency-domain, we can lock into the harmonic thermal response of the material and reject the influence of ambient temperature fluctuations, and we can keep the probed volume below 1 µl to minimize convection. The design of the microfabricated hot-wire sensor, electrical systems, and insulating wire coating to protect against corrosion is covered in detail. Furthermore, we discuss the development of a full three-dimensional multilayer thermal model that accounts for both radial conduction into the sample and axial conduction along the wire and the effect of wire coatings. The 3D, multilayer model facilitates the measurement of small sample volumes important for material development. A sensitivity analysis and an error propagation calculation of the frequency-domain thermal model are performed to demonstrate what factors are most important for thermal conductivity measurements. Finally, we show thermal conductivity measurements including model data fitting on gas (argon), solid (sulfur), and molten substances over a range of temperatures.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Evaluation of lithium as a tritium storage medium for betavoltaics

Lithium foils were demonstrated to absorb surrogate protium for tritium-powered betavoltaics. 20μm thick lithium foils were hole-punched from a ribbon of electrodeposited lithium on copper foil. The lithium foils were loaded with hydrogen in a custom Sievert apparatus where the pressure drop showed full hydriding at a hydrogen pressure of 2 bar and at all loading temperatures above the lithium melting point at 190, 200, 225, 250, and 300. Lithium hydride formation was confirmed with Raman spectroscopy after hydrogen loading. The kinetics of experimental hydride formation was compared to the diffusion-limited Mintz–Bloch model. While the Mintz–Bloch model showed good fit with the experimental loadings, the model overpredicted the loading kinetics starting at 250 °C and at higher temperatures. In conclusion, The overprediction was either caused by lithium hydride outgassing due to some reduction with some residual lithium hydroxide created from brief air exposure when sealing the lithium in the reactor or a transition from diffusion-limited hydride growth to surface or metal–hydride interface-limited hydride growth.

25 ENERGY STORAGE↗
DOE OSTI2024

Validation of galvanomagnetic and thermomagnetic transport measurements using Standard Reference Material 3451

In the “method of four coefficients,” electrical resistivity (ρ), Seebeck coefficient (S), Hall coefficient (RH), and Nernst coefficient (Q) of a material are measured and typically fit or modeled with theoretical expressions based on Boltzmann transport theory to glean experimental insights into features of electronic structure and/or charge carrier scattering mechanisms in materials. Although well-defined and readily available reference materials exist for validating measurements of ρ and S, none currently exists for R H or Q. We show that measurements of all four transport coefficients—ρ, S, R H , and Q—can be validated using a single reference sample, namely, the low-temperature Seebeck coefficient Standard Reference Material® (SRM) 3451 (composition Bi 2 Te 3+x ) available from the National Institute for Standards and Technology (NIST) without the need for inter-laboratory sample exchange. Here, R H and Q data for NIST SRM 3451 reported here for the temperature range 80–400 K complement the data already available for ρ and S and will therefore be of interest to researchers desiring to validate new or existing galvanomagnetic and thermomagnetic transport properties measurement systems.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Correlating hot-electron preheat from the two-plasmon decay instability to $ρR$ degradation for direct-drive implosions on OMEGA

Focused experiments were performed with the goal of isolating the impact of hot-electron preheat on compression in deuterium–tritium (DT) layered, direct-drive implosions on OMEGA. Preheat from the hot-electrons generated by two-plasmon–decay (TPD) activity was varied through the incident laser intensity, with the total preheat energy deposited into unablated DT fuel being inferred using hard x-ray measurements. Results show a clear correlation between the inferred preheat levels and $ρR$ degradation that is consistent with a derived, 1D preheat model. A fit to the results also provides an estimated range of $ρR$ degradation from non-preheat sources for the adiabat ≈5 implosions used in this study. A follow-up study using targets containing Si-doped (5.5%) CH ablators (CHSi) demonstrated results consistent with mid-Z dopants mitigating TPD activity by showing these targets had almost no $ρR$ degradation as the laser intensity was increased up to levels previously considered damaging.

Doping↗
DOE OSTI2025

Bridging material models across scales: An integrated approach to equation of state and molecular dynamics modeling of copper

New uncertainty-aware equation of state (EOS) and electrical conductivity (EC) models for copper have been developed. The multiphase EOS/EC models are fit to experimental solid/liquid EC isobar measurements as well as density-functional theory molecular dynamics (DFT-MD) EC calculations in both expanded and compressed regimes (0.1–16 g/ cm 3 ⁠). The liquid and solid EOS phases were fit to available experimental data along with additional DFT-MD data over the same range as the EC. Leveraging the DFT-MD data, a corresponding machine-learned interatomic potential (MLIAP) for copper was trained using genetic-algorithm optimization. The copper MLIAP was constrained by EOS shock points at high compressions. The final EOS bounded MLIAP proves to be stable over a large density range (approximately 0.1–20 g/ cm 3 ) with good agreement to an isothermal compression curve, shock Hugoniot, and liquid speed of sound measurements at high pressures (100s of GPa).

Acoustic measurements and instrumentation↗
DOE OSTI2018

Superinfection and cure of infected cells as mechanisms for hepatitis C virus adaptation and persistence

Significance Viral populations exhibit an extraordinary ability to survive abrupt changes in host environment by rapidly generating adaptive mutations. However, our understanding of how viral populations respond to selection pressure and the underlying molecular mechanisms supporting viral adaptation in vivo is limited. Here, we report a set of clinical data sampled from subjects chronically infected by hepatitis C virus (HCV). The data show rapid expansion and turnover of drug-resistant viruses following treatment with an HCV protease inhibitor. By fitting mathematical models to the data, we propose that superinfection and cure of infected cells play critical roles in facilitating the rapid expansion and turnover of viral populations. Our results highlight the importance of considering intracellular viral competition in understanding rapid viral adaptation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

STRUCTURAL PARAMETERS FOR GLOBULAR CLUSTERS IN THE OUTER HALO OF M31

In this paper, we present internal surface brightness profiles, using images in the F606W and F814W filter bands observed with the Advanced Camera for Surveys on the Hubble Space Telescope, for 10 globular clusters (GCs) in the outer halo of M31. Standard King models are fitted to the profiles to derive their structural and dynamical parameters. The results show that, in general, the properties of clusters in M31 and the Milky Way fall in the same regions of parameter spaces. The outer halo GCs of M31 have larger ellipticities than most of the GCs in M31 and the Milky Way. Their large ellipticities may be due to galaxy tides coming from satellite dwarf galaxies of M31 or may be related to the apparently more vigorous accretion or merger history that M31 has experienced. The tight correlation of cluster binding energy E{sub b} with mass M{sub mod} indicates that the 'fundamental plane' does exist for clusters, regardless of their host environments, which is consistent with previous studies.

79 ASTRONOMY AND ASTROPHYSICS↗