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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Floating zone crystal growth, structure, and properties of a cubic Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 garnet-type lithium-ion conductor

As a promising candidate for solid-state electrolytes in Li-ion batteries, the garnet-type Li-ion conductor series Li 5+x La 3 Nb 2-x Zr x O 12 (LLNZO) (0 ≤ x ≤ 2) exhibits high ionic conductivity at room temperature. However, no previous single-crystal growth or characterization has been reported for LLNZO compositions 0 ≤ x ≤ 1. To obtain a complete understanding of the trend in the structure–property relationship in this class of materials, we used the floating zone (FZ) method to grow a single crystal of Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 that was 4 mm in diameter and 10 mm in length. Using Laue neutron single-crystal diffraction, two distinct Li sites were observed: tetrahedral 24d and octahedral 96h sites. The maximum entropy method (MEM) based on neutron single-crystal diffraction data was used to map Li nuclear density and estimate that the bottleneck of Li transport exists between neighboring tetrahedral and octahedral sites, and that Li is delocalized between split octahedral sites. Room-temperature Li-ion conductivity in Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 measured with electrochemical impedance spectroscopy (EIS) was 1.37 × 10 -4 S cm -1 . The Li migration activation energy was estimated to be 0.50 eV from EIS and 0.47 eV from dielectric relaxation measurements. The Li-ion jump attempt rate was estimated to be 1.47 × 10 12 Hz while the time scale of successful migration is 10 -7 to 10 -6 s.

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

Planck 2015 results: XIV. Dark energy and modified gravity

For this research, we study the implications of Planck data for models of dark energy (DE) and modified gravity (MG) beyond the standard cosmological constant scenario. We start with cases where the DE only directly affects the background evolution, considering Taylor expansions of the equation of state w(a), as well as principal component analysis and parameterizations related to the potential of a minimally coupled DE scalar field. When estimating the density of DE at early times, we significantly improve present constraints and find that it has to be below ~2% (at 95% confidence) of the critical density, even when forced to play a role for z < 50 only. We then move to general parameterizations of the DE or MG perturbations that encompass both effective field theories and the phenomenology of gravitational potentials in MG models. Lastly, we test a range of specific models, such as k-essence, f(R) theories, and coupled DE. In addition to the latest Planck data, for our main analyses, we use background constraints from baryonic acoustic oscillations, type-Ia supernovae, and local measurements of the Hubble constant. We further show the impact of measurements of the cosmological perturbations, such as redshift-space distortions and weak gravitational lensing. These additional probes are important tools for testing MG models and for breaking degeneracies that are still present in the combination of Planck and background data sets. All results that include only background parameterizations (expansion of the equation of state, early DE, general potentials in minimally-coupled scalar fields or principal component analysis) are in agreement with ΛCDM. Finally, when testing models that also change perturbations (even when the background is fixed to ΛCDM), some tensions appear in a few scenarios: the maximum one found is ~2σ for Planck TT+lowP when parameterizing observables related to the gravitational potentials with a chosen time dependence; the tension increases to, at most, 3σ when external data sets are included. It however disappears when including CMB lensing.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Probing jet base emission of M87* with the 2021 Event Horizon Telescope observations

We investigate the presence and spatial characteristics of the jet base emission in M87* at 230 GHz, enabled by the significantly enhanced (u,v) coverage in the 2021 Event Horizon Telescope (EHT) observations. The integration of the 12−m Kitt Peak Telescope (USA) and NOEMA (France) stations into the array introduces two critical intermediate-length baselines to SMT (USA) and IRAM 30−m (Spain), providing sensitivity to emission structures at spatial scales of ∼250 μas and ∼2500 μas (∼ 0.02 pc and ∼ 0.02 pc). Without these new baselines, previous EHT observations of the source in 2017 and 2018 lacked the capability to constrain emission on large scales, where a “missing flux” of order ∼1 Jy is expected to reside. To probe these scales, we analyzed closure phases–robust against station-based gain calibration errors–and model the jet base emission using a simple Gaussian component offset from the compact ring emission at spatial separations > 100 μas. Our analysis revealed a Gaussian feature centered at (ΔRA ≈ 320 μ as, ΔDec. ≈ 60 μ as), projected separation of ≈ 5500 AU, with an estimated flux density of only ∼60 mJy, implying that most of the missing flux identified in previous EHT studies had to originate from different, larger scales. Brighter emission at the relevant spatial scales is firmly ruled out, and the data do not favor more complex models. This component aligns with the inferred position of the large-scale jet and is therefore physically consistent with the emission of the jet base. While our findings point to detectable jet base emission at 230 GHz, the limited coverage provided by only two intermediate baselines limits our ability to robustly reconstruct its morphology. Consequently, we treated the recovered Gaussian as an upper limit on the jet base flux density. Future EHT observations with expanded intermediate baseline coverage will be essential to constrain the structure and nature of this component with higher precision.

accretion, accretion disks↗
DOE OSTI2010

Free volume in imidazolium triflimide ([C{sub 3}MIM][NTf{sub 2}]) ionic liquid from positron lifetime: Amorphous, crystalline, and liquid states

Positron annihilation lifetime spectroscopy (PALS) is used to study the ionic liquid 1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide [C{sub 3}MIM][NTf{sub 2}] in the temperature range between 150 and 320 K. The positron decay spectra are analyzed using the routine LifeTime-9.0 and the size distribution of local free volumes (subnanometer-size holes) is calculated. This distribution is in good agreement with Fuerth's classical hole theory of liquids when taking into account Fuerth's hole coalescence hypothesis. During cooling, the liquid sample remains in a supercooled, amorphous state and shows the glass transition in the ortho-positronium (o-Ps) lifetime at 187 K. The mean hole volume varies between 70 A{sup 3} at 150 K and 250 A{sup 3} at 265-300 K. From a comparison with the macroscopic volume, the hole density is estimated to be constant at 0.20x10{sup 21} g{sup -1} corresponding to 0.30 nm{sup -3} at 265 K. The hole free volume fraction varies from 0.023 at 185 K to 0.073 at T{sub m}+12 K=265 K and can be estimated to be 0.17 at 430 K. It is shown that the viscosity follows perfectly the Cohen-Turnbull free volume theory when using the free volume determined here. The heating run clearly shows crystallization at 200 K by an abrupt decrease in the mean <{tau}{sub 3}> and standard deviation {sigma}{sub 3} of the o-Ps lifetime distribution and an increase in the o-Ps intensity I{sub 3}. The parameters of the second lifetime component <{tau}{sub 2}> and {sigma}{sub 2} behave parallel to the o-Ps parameters, which also shows the positron's (e{sup +}) response to structural changes. During melting at 253 K, all lifetime parameters recover to the initial values of the liquid. An abrupt decrease in I{sub 3} is attributed to the solvation of e{sup -} and e{sup +} particles. Different possible interpretations of the o-Ps lifetime in the crystalline state are briefly discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Effect of partial substitution of Ni by Co on the magnetic and magnetocaloric properties of Ni{sub 50}Mn{sub 35}In{sub 15} Heusler alloy

The magnetic and magnetocaloric properties of Ni{sub 48}Co{sub 2}Mn{sub 35}In{sub 15} were studied using magnetization and heat capacity measurements. The magnetic entropy change ({Delta}S{sub M}) was evaluated from both magnetizing and demagnetizing fields. An inverse {Delta}S{sub M} for the magnetizing and demagnetizing processes were found to be 20.5 and 18.5 J kg{sup -1} K{sup -1}, respectively, for {Delta}H = 5 T at the martensitic transition (T = T{sub M}). The normal {Delta}S{sub M} was found to be -5.4 J kg{sup -1} K{sup -1} for both fields at the paramagnetic/ferromagnetic transition (T = T{sub C}). The effective refrigeration capacity at T{sub M} and T{sub C} for magnetizing field was found to be 268 and 243 J/kg (285 and 243 J/kg for the demagnetizing field), respectively. We have also estimated the density of states, the Debye temperature, and the inverse adiabatic temperature change to be 4.93 states/eV f.u., 314 K, and -3.7 K, respectively, from the measured heat capacity data.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Spectroscopic Modeling of Single Element Plasma

A strategy for spectroscopic analysis of single element plasmas is through modeling. An experimental investigation or generation of a specified emission spectrum can be attempted based on the modeling results which are currently under investigating by many researchers in the world. In the emission spectroscopy, the K-shell emission is more interesting than emissions from other shells due to their unique EUV and SXR frequencies that can be applied in various scientific and industrial applications. Population information of our model is based on a steady state kinetic code which is calculated for a given electron temperature and an estimated electron density. Thus for each single element plasma it needs large amounts of experimental or theoretical database. Depending on the parameter of the plasma, theories based on local thermodynamic equilibrium (LTE) and non-LTE are considered. In the non-LTE case, the Corona model is used and the total absolute number densities are calculated based on the ion densities that are related to the electron density corresponds to the mean charge of the ions. The spectra generated by the model can then be compared with spectroscopic data obtained experimentally.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Band alignment of epitaxial ZnS/Zn{sub 3}P{sub 2} heterojunctions

The energy-band alignment of epitaxial zb-ZnS(001)/{alpha}-Zn{sub 3}P{sub 2}(001) heterojunctions has been determined by measurement of shifts in the phosphorus 2p and sulfur 2p core-level binding energies for various thicknesses (0.6-2.2 nm) of ZnS grown by molecular beam epitaxy on Zn{sub 3}P{sub 2}. In addition, the position of the valence-band maximum for bulk ZnS and Zn{sub 3}P{sub 2} films was estimated using density functional theory calculations of the valence-band density-of-states. The heterojunction was observed to be type I, with a valence-band offset, {Delta}E{sub V,} of -1.19 {+-} 0.07 eV, which is significantly different from the type II alignment based on electron affinities that is predicted by Anderson theory. n{sup +}-ZnS/p-Zn{sub 3}P{sub 2} heterojunctions demonstrated open-circuit voltages of >750 mV, indicating passivation of the Zn{sub 3}P{sub 2} surface due to the introduction of the ZnS overlayer. Carrier transport across the heterojunction devices was inhibited by the large conduction-band offset, which resulted in short-circuit current densities of <0.1 mA cm{sup -2} under 1 Sun simulated illumination. Hence, constraints on the current density will likely limit the direct application of the ZnS/Zn{sub 3}P{sub 2} heterojunction to photovoltaics, whereas metal-insulator-semiconductor structures that utilize an intrinsic ZnS insulating layer appear promising.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

The Influence of spot size on the expansion dynamics of nanosecond-laser-produced copper plasmas in atmosphere

Laser produced copper plasmas of different spot sizes in air were investigated using fast photography and optical emission spectroscopy (OES). The laser energy was 33 mJ. There were dramatic changes in the plasma plume expansion into the ambient air when spot sizes changed from {approx}0.1 mm to {approx}0.6 mm. A stream-like structure and a hemispherical structure were, respectively, observed. It appeared that the same spot size resulted in similar expansion dynamics no matter whether the target was located in the front of or behind the focal point, although laser-induced air breakdown sometimes occurred in the latter case. Plasma plume front positions agree well with the classic blast wave model for the large spot-size cases, while an unexpected stagnation of {approx}80 ns occurred after the laser pulse ends for the small spot size cases. This stagnation can be understood in terms of the evolution of enhanced plasma shielding effects near the plasma front. Axial distributions of plasma components by OES revealed a good confinement effect. Electron number densities were estimated and interpreted using the recorded Intensified Charge Coupled Device (ICCD) images.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

An ab initio approach to free-energy reconstruction using logarithmic mean force dynamics

We present an ab initio approach for evaluating a free energy profile along a reaction coordinate by combining logarithmic mean force dynamics (LogMFD) and first-principles molecular dynamics. The mean force, which is the derivative of the free energy with respect to the reaction coordinate, is estimated using density functional theory (DFT) in the present approach, which is expected to provide an accurate free energy profile along the reaction coordinate. We apply this new method, first-principles LogMFD (FP-LogMFD), to a glycine dipeptide molecule and reconstruct one- and two-dimensional free energy profiles in the framework of DFT. The resultant free energy profile is compared with that obtained by the thermodynamic integration method and by the previous LogMFD calculation using an empirical force-field, showing that FP-LogMFD is a promising method to calculate free energy without empirical force-fields.

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

Scaled ZrO{sub 2} dielectrics for In{sub 0.53}Ga{sub 0.47}As gate stacks with low interface trap densities

ZrO{sub 2} dielectrics were grown on n-In{sub 0.53}Ga{sub 0.47}As channels by atomic layer deposition, after employing an in-situ cyclic nitrogen plasma/trimethylaluminum surface cleaning procedure. By scaling the ZrO{sub 2} thickness, accumulation capacitance densities of 3.5 μF/cm{sup 2} at 1 MHz are achieved. The midgap interface trap density is estimated to be in the 10{sup 12} cm{sup −2} eV{sup −1} range. Using x-ray photoelectron spectroscopy, it was shown that the interface contained the oxides of In, Ga, and Al, but no As-oxides or As-As bonds within the detection limit. The results allow for insights into the effective passivation of these interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Gating of high-mobility InAs metamorphic heterostructures

We investigate the performance of gate-defined devices fabricated on high mobility InAs metamorphic heterostructures. We find that heterostructures capped with In{sub 0.75}Ga{sub 0.25}As often show signs of parallel conduction due to proximity of their surface Fermi level to the conduction band minimum. Here, we introduce a technique that can be used to estimate the density of this surface charge that involves cool-downs from room temperature under gate bias. We have been able to remove the parallel conduction under high positive bias, but achieving full depletion has proven difficult. We find that by using In{sub 0.75}Al{sub 0.25}As as the barrier without an In{sub 0.75}Ga{sub 0.25}As capping, a drastic reduction in parallel conduction can be achieved. Our studies show that this does not change the transport properties of the quantum well significantly. We achieved full depletion in InAlAs capped heterostructures with non-hysteretic gating response suitable for fabrication of gate-defined mesoscopic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Properties of K,Rb-intercalated C{sub 60} encapsulated inside carbon nanotubes called peapods derived from nuclear magnetic resonance

We present a detailed experimental study on how magnetic and electronic properties of Rb,K-intercalated C{sub 60} encapsulated inside carbon nanotubes called peapods can be derived from {sup 13}C nuclear magnetic resonance investigations. Ring currents do play a basic role in those systems; in particular, the inner cavities of nanotubes offer an ideal environment to investigate the magnetism at the nanoscale. We report the largest diamagnetic shifts down to −68.3 ppm ever observed in carbon allotropes, which is connected to the enhancement of the aromaticity of the nanotube envelope upon intercalation. The metallization of intercalated peapods is evidenced from the chemical shift anisotropy and spin-lattice relaxation (T{sub 1}) measurements. The observed relaxation curves signal a three-component model with two slow and one fast relaxing components. We assigned the fast component to the unpaired electrons charged C{sub 60} that show a phase transition near 100 K. The two slow components can be rationalized by the two types of charged C{sub 60} at two different positions with a linear regime following Korringa behavior, which is typical for metallic system and allow us to estimate the density of sate at Fermi level n(E{sub F})

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Prediction of impact sensitivity, heat of formation and heat of explosion using atomic connectivity

In these proceedings we revisit a large collection of explosives and explosive descriptors with the goal of predicting impact sensitivity using only local atomic environments that can be deciphered from molecular SMILES strings as descriptors without utilizing empirically measured values or computationally expensive electronic structure calculations. From the original database of nearly 500 descriptors, removing empirically measured and electronic structure values decreased the number of descriptors to 135, which we reduced to 18 the most important descriptors using Random Forests. The condensed model predicted impact sensitivity with essentially the same accuracy as the existing, more complex model (R 2 = 0.788 and RSME = 0.312), while remaining applicable to all types of explosives (Peroxides, azides, C-Nitros, Nitroamines, Nitrate Esters, etc.). In addition to impact sensitivity, we proposed similar models to accurately predict values heat of formation (ΔH f ) and heat of explosion (Q), with R 2 = 0.966 and 0.916, respectively. In conclusion, the work in these proceedings allows for prediction of explosive performance and sensitivity with only chemical structure information and an estimate of density.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Laser speckle contrast imaging of skin blood perfusion responses induced by laser coagulation

We report application of laser speckle contrast imaging (LSCI), i.e., a fast imaging technique utilising backscattered light to distinguish such moving objects as red blood cells from such stationary objects as surrounding tissue, to localise skin injury. This imaging technique provides detailed information about the acute perfusion response after a blood vessel is occluded. In this study, a mouse ear model is used and pulsed laser coagulation serves as the method of occlusion. We have found that the downstream blood vessels lacked blood flow due to occlusion at the target site immediately after injury. Relative flow changes in nearby collaterals and anastomotic vessels have been approximated based on differences in intensity in the nearby collaterals and anastomoses. We have also estimated the density of the affected downstream vessels. Laser speckle contrast imaging is shown to be used for highresolution and fast-speed imaging for the skin microvasculature. It also allows direct visualisation of the blood perfusion response to injury, which may provide novel insights to the field of cutaneous wound healing. (laser biophotonics)

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

THE INTERSTELLAR MEDIUM AND STAR FORMATION IN EDGE-ON GALAXIES. I. NGC 891

We analyze images of BIMA {sup 12}CO (J = 1 {yields} 0) , Very Large Array H I, and Spitzer 3.6 and 24 {mu}m emission toward the edge-on galaxy NGC 891 and derive the radial and vertical distributions of gas and the radial distributions of stellar mass and recent star formation. We describe our method of deriving radial profiles for edge-on galaxies, assuming circular motion, and verify basic relationships between star formation rate (SFR) and gas and stellar content, and between the molecular-to-atomic ratio and hydrostatic midplane pressure that have been found in other galaxy samples. The Schmidt law index we find for the total gas (H{sub 2} + H I) is 0.85 {+-} 0.55, but the Schmidt law provides a poor description of the SFR in comparison to a model that includes the influence of the stellar disk. Using our measurements of the thickness of the gas disk and the assumption of hydrostatic equilibrium, we estimate volume densities and pressures as a function of radius and height in order to test the importance of pressure in controlling the {rho}{sub H{sub 2}}/{rho}{sub H{sub i}} ratio. The gas pressure in two dimensions P(r, z) using constant velocity dispersion does not seem to correlate with the {rho}{sub H{sub 2}}/{rho}{sub H{sub i}} ratio, but the pressure using varying velocity dispersion appears to correlate with the ratio. We test the importance of gravitational instability in determining the sites of massive star formation and find that the Q parameter using a radially varying gas velocity dispersion is consistent with self-regulation (Q {approx} 1) over a large part of the disk.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

HIGH IONIZATION SPECIES IN THE NEARBY INTERSTELLAR MEDIUM FROM AN EXHAUSTIVE ANALYSIS OF THE IUE INES DATABASE

Main-sequence (MS) and giant late-B and early-A type stars are the best targets for searching for nearby interstellar (IS) Si IV and C IV resonance lines because they are not able to produce them, either in atmospheric layers or in their circumstellar environment, and because many stars of these spectral types are nearby and located in the local interstellar medium (LISM). In addition, the use of certain stars hotter than B6 can lead to misinterpretations (e.g., alpha Arae). This work analyzes the reliable Short-Wavelength Prime high-resolution UV spectra of 558 B6-A9 type stars observed by the International Ultraviolet Explorer at distances lower than 400 pc from the Sun. For the first time, this work utilizes the entire INES database to extract stellar and IS information in a systematic way from homogeneous data. Stars were classified into seven groups: normal (MS and subgiant), giant, peculiar, emission line, Algols, pre-main sequence or Herbig Ae/Be, and shell stars. Only 10 normal stars, located beyond 90 pc, show weak Si IV and C IV absorptions and are clustered around the direction of Sco-Cen, while 85 located closer than 90 pc, as well as another 89 beyond 90 pc, do not show any absorptions at all. We conclude that these highly ionized species originate most probably in the LISM, at 90 pc from the Sun, corresponding to the warm interaction zone (IZ), where the expanding Loop I super-shell and the Local Bubble collide. We base our results on a robust statistical analysis of both spectral types and spatial distributions of the different stellar groups we defined. Our estimated column densities N of both ions are similar to those obtained by other authors for distant stars, suggesting that these absorptions concentrate fundamentally in the IZ. A logarithmic correlation between N and the distance D confirms these results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

FLUCTUATING ENERGY STORAGE AND NONLINEAR CASCADE IN AN INHOMOGENEOUS CORONAL LOOP

The dynamics and the energy balance of large-scale fluctuations in a coronal loop are studied. The loop is represented by a simplified structure where the curvature is neglected and the background magnetic field is uniform. In a previous paper, we studied a similar model where a uniform background density was assumed. The present paper represents a generalization of the previous one and it has the purpose of investigating possible modifications to the large-scale energy balance and dynamics due to a more realistic longitudinally nonuniform density. Large-scale fluctuations are dominated by coherent eigenmodes that nonlinearly couple to produce an energy cascade to smaller scales. Eigenmodes properties are calculated by a simplified linear dissipative model, deriving an expression for the input energy flux that is not substantially modified by the presence of the density inhomogeneity and is independent of dissipation. For typical values of the parameters, the derived input energy flux is comparable with that required to heat the active region corona. Nonlinear couplings are dominated by coherence effects due to the symmetry properties of eigenmodes; the consequences are that the system is in a weakly nonlinear regime that produces fluctuating energy storage in the loop, and that the kinetic and magnetic nonlinear energy fluxes are of the same order, despite the dominance of magnetic energy at large scales. From the energy balance, an expression for the velocity fluctuation is derived, which is valid in the more general case of a nonuniform background density; this estimate is in agreement both with measures of nonthermal velocities in the solar corona and with previous numerical results.

79 ASTRONOMY AND ASTROPHYSICS↗