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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Ultra-luminous X-ray sources in Haro 11 and the role of X-ray binaries in feedback in Lyα emitting galaxies

Lyman Break Analogs (LBAs) are local proxies of high-redshift Lyman Break Galaxies. Spatially resolved studies of nearby starbursts have shown that Lyman continuum and line emission are absorbed by dust and that the Lyα is resonantly scattered by neutral hydrogen. In order to observe Lyα emission from star-forming regions, some source of feedback is required to blow the neutral gas away from the starburst to prevent scattering and allow the Lyα emission to escape. We show that there are two X-ray point sources embedded in the diffuse emission of the LBA galaxy Haro 11. CXOU J003652.4-333316 (abbreviated to Haro 11 X-1) is an extremely luminous (L{sub X}∼10{sup 41} erg s{sup −1}), spatially compact source with a hard-X-ray spectrum. We suggest that the X-ray emission from Haro 11 X-1 is dominated by a single accretion source. This might be an active galactic nucleus or a source similar to the extreme black hole binary (BHB) M82 X-1. The hard X-ray spectrum indicates that Haro 11 X-1 may be a BHB in a low accretion state. In this case, the very high X-ray luminosity suggests an intermediate mass black hole that could be the seed for formation of a supermassive black hole. Source CXOU J003652.7-33331619.5 (abbreviated Haro 11 X-2) has an X-ray luminosity of L{sub X}∼5×10{sup 40} erg s{sup −1} and a soft X-ray spectrum (power-law photon index Γ ∼ 2.2). This strongly suggests that Haro 11 X-2 is an X-ray binary in the ultra luminous state (i.e., an Ultra Luminous X-ray source, ULX). Haro 11 X-2 is coincident with the star-forming knot that is the source of the Lyα emission. The association of a ULX with Lyα emission raises the possibility that strong winds from X-ray binaries play an important role in injecting mechanical power into the interstellar medium, thus blowing away neutral material from the starburst region and allowing the Lyα to escape. We suggest that feedback from X-ray binaries may play a significant role in allowing Lyα emission to escape from galaxies in the early universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ENERGETIC PARTICLE ANISOTROPIES AT THE HELIOSPHERIC BOUNDARY

In 2012 August the Voyager 1 space probe entered a distinctly new region of space characterized by a virtual absence of heliospheric energetic ions and magnetic fluctuations, now interpreted as a part of the local interstellar cloud. Prior to their disappearance, the ion distributions strongly peaked at a 90° pitch angle, implying rapid escape of streaming particles along the magnetic field lines. Here we investigate the process of particle crossing from the heliosheath into the interstellar space, using a kinetic approach that resolves scales of the particle's cyclotron radius and smaller. It is demonstrated that a 'pancake' pitch-angle distribution naturally arises at a tangential discontinuity separating a weakly turbulent plasma from a laminar region with a very low pitch-angle scattering rate. The relatively long persistence of gyrating ions is interpreted in terms of field line meandering facilitating their cross-field diffusion within the depletion region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Quantitative 3D evolution of colloidal nanoparticle oxidation in solution

Watching nanomaterials transform in time Real-time analysis of chemical transformations of nanoparticles is usually done with electron microscopy of a few particles. One limitation is interference by the electron beam. Sun et al. monitored the oxidation of iron nanoparticles in solution by using small- and wide-angle x-ray scattering and molecular dynamics simulations (see the Perspective by Cadavid and Cabot). These methods revealed the formation of voids within the nanoparticles, diffusion of material into and out of the nanoparticles, and ultimately the coalescence of the voids. Science , this issue p. 303 ; see also p. 245

36 MATERIALS SCIENCE↗
DOE OSTI2017

Rosseland and Flux Mean Opacities for Compton Scattering

Rosseland mean opacity plays an important role in theories of stellar evolution and X-ray burst models. In the high-temperature regime, when most of the gas is completely ionized, the opacity is dominated by Compton scattering. Our aim here is to critically evaluate previous works on this subject and to compute the exact Rosseland mean opacity for Compton scattering over a broad range of temperature and electron degeneracy parameter. We use relativistic kinetic equations for Compton scattering and compute the photon mean free path as a function of photon energy by solving the corresponding integral equation in the diffusion limit. As a byproduct we also demonstrate the way to compute photon redistribution functions in the case of degenerate electrons. We then compute the Rosseland mean opacity as a function of temperature and electron degeneracy and present useful approximate expressions. We compare our results to previous calculations and find a significant difference in the low-temperature regime and strong degeneracy. We then proceed to compute the flux mean opacity in both free-streaming and diffusion approximations, and show that the latter is nearly identical to the Rosseland mean opacity. We also provide a simple way to account for the true absorption in evaluating the Rosseland and flux mean opacities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Magnetotransport in p-type Ge quantum well narrow wire arrays

We report magnetotransport measurements of a SiGe heterostructure containing a 20 nm p-Ge quantum well with a mobility of 800 000 cm{sup 2} V{sup −1} s{sup −1}. By dry etching arrays of wires with widths between 1.0 μm and 3.0 μm, we were able to measure the lateral depletion thickness, built-in potential, and the phase coherence length of the quantum well. Fourier analysis does not show any Rashba related spin-splitting despite clearly defined Shubnikov-de Haas oscillations being observed up to a filling factor of ν = 22. Exchange-enhanced spin-splitting is observed for filling factors below ν = 9. An analysis of boundary scattering effects indicates lateral depletion of the hole gas by 0.5 ± 0.1 μm from the etched germanium surface. The built-in potential is found to be 0.25 ± 0.04 V, presenting an energy barrier for lateral transport greater than the hole confinement energy. A large phase coherence length of 3.5 ± 0.5 μm is obtained in these wires at 1.7 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A cell-local finite difference discretization of the low-order quasidiffusion equations for neutral particle transport on unstructured quadrilateral meshes

We present a quasidiffusion (QD) method for solving neutral particle transport problems in Cartesian XY geometry on unstructured quadrilateral meshes, including local refinement capability. Neutral particle transport problems are central to many applications including nuclear reactor design, radiation safety, astrophysics, medical imaging, radiotherapy, nuclear fuel transport/storage, shielding design, and oil well-logging. The primary development is a new discretization of the low-order QD (LOQD) equations based on cell-local finite differences. The accuracy of the LOQD equations depends on proper calculation of special non-linear QD (Eddington) factors from a transport solution. In order to completely define the new QD method, a proper discretization of the transport problem is also presented. The transport equation is discretized by a conservative method of short characteristics with a novel linear approximation of the scattering source term and monotonic, parabolic representation of the angular flux on incoming faces. Analytic and numerical tests are used to test the accuracy and spatial convergence of the non-linear method. All tests exhibit O(h{sup 2}) convergence of the scalar flux on orthogonal, random, and multi-level meshes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Morphology and CO Oxidation Activity of Pd Nanoparticles on SrTiO 3 Nanopolyhedra

Single crystal SrTiO 3 nanocuboids having primarily TiO 2 -(001) surfaces and nanododecahedra having primarily (110) surfaces were created by two separate hydrothermal synthesis processes. Pd nanoparticles grown on the two sets of STO nanopolyhedra by atomic layer deposition show different morphologies and CO oxidation performance. Transmission electron microscopy and small-angle X-ray scattering show that 2-3 nm Pd nanoparticles with 3-5 nm interparticle distances decorate the STO surfaces. When the number of ALD cycles increases, the growth of the Pd nanoparticles is more significant in size on TiO 2 -(001)-STO surfaces, while that on (110)-STO surfaces is more predominant in number. High resolution electron microscopy images show that single crystal and multiply twinned Pd nanoparticles coexist on both types of the STO nanopolyhedra and exhibit different degrees of adhesion. The CO oxidation reaction, which was employed to determine the dependence of catalytic activity, demonstrated that the Pd catalytic performance was dominated by the coverage of CO, which is more directly related to Pd nanoparticle size than to shape. CO turnover frequency analysis and diffuse reflectance infrared Fourier transform spectroscopy show that regardless of the shape or degrees of wetting, larger Pd nanoparticles (~ 3 nm) have lower catalytic activity due to high CO coverage on nanoparticle facets. Smaller nanoparticles (~ 2 nm) have more edge and corner sites and present 2-3 times higher TOF at 80 and 100 degrees C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Simultaneous Thermal Stability and Ultrahigh Sensitivity of Heterojunction SERS Substrates

This paper reports the design of Ag-Al 2 O 3 -Ag heterojunctions based on Ag nanorods (AgNRs) and their applications as thermally stable and ultrasensitive substrates of surface-enhanced Raman scattering (SERS). Specifically, an ultrathin Al 2 O 3 capping layer of 10 nm on top of AgNRs serves to slow down the surface diffusion of Ag at high temperatures. Then, an additional Ag layer on top of the capping layer creates AgNRs-Al 2 O 3 -Ag heterojunctions, which lead to giant enhancement of electromagnetic fields within the Al 2 O 3 gap regions that could boost the SERS enhancement. As a result of this design, the SERS substrates are thermally stable up to 200 °C, which has been increased by more than 100 °C compared with bare AgNRs, and their sensitivity is about 400% that of pure AgNRs. This easy yet effective capping approach offers a pathway to fabricate ultrasensitive, thermally stable and easily prepared SERS sensors, and to extend SERS applications for high-temperature detections, such as monitoring in situ the molecule reorientation process upon annealing. Such simultaneous achievement of thermal stability and SERS sensitivity represents a great advance in the design of SERS sensors and will inspire the fabrication of novel hetero-nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2017

CMB spectral distortions as solutions to the Boltzmann equations

We propose to re-interpret the cosmic microwave background spectral distortions as solutions to the Boltzmann equation. This approach makes it possible to solve the second order Boltzmann equation explicitly, with the spectral y distortion and the momentum independent second order temperature perturbation, while generation of μ distortion cannot be explained even at second order in this framework. We also extend our method to higher order Boltzmann equations systematically and find new type spectral distortions, assuming that the collision term is linear in the photon distribution functions, namely, in the Thomson scattering limit. As an example, we concretely construct solutions to the cubic order Boltzmann equation and show that the equations are closed with additional three parameters composed of a cubic order temperature perturbation and two cubic order spectral distortions. The linear Sunyaev-Zel'dovich effect whose momentum dependence is different from the usual y distortion is also discussed in the presence of the next leading order Kompaneets terms, and we show that higher order spectral distortions are also generated as a result of the diffusion process in a framework of higher order Boltzmann equations. The method may be applicable to a wider class of problems and has potential to give a general prescription to non-equilibrium physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Adapting confocal Raman microscopy for in situ studies of redox transformations at electrode-electrolyte interfaces

Confocal Raman microscopy was applied to quantify redox species present within the diffusion layer adjacent to an electrode surface under potentiostatic control. A glass microscope coverslip with a thin indium tin oxide (ITO) coating served as both the working electrode and optical window for a microscope-stage mountable spectroelectrochemical cell. A high numerical aperture objective mounted in an inverted microscope frame just below the stage brought excitation radiation through the coverslip window and to a tight focus a few micrometers above the ITO film surface. Species diffusing into the confocal probe volume defined by the excitation beam focus and the collected light region were detected, identified and quantified based on their Raman scattering frequencies and intensities. Here, in measurements that interrogated the interconversion of ferrocyanide and ferricyanide ions as a function of applied voltage, least-squares regression analysis of spectral datasets predicted the formal potential and relative surface concentrations of the ions in good agreement with the expected Nernstian response. Preliminary studies of methyl viologen reduction at an ITO film/Nafion membrane interface were conducted and show the possibility for estimation of mass transport coefficients of redox species within ionic polymer materials.

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

Effects of configurational changes on molecular dynamics in polyvinylidene fluoride and poly(vinylidene fluoride-trifluoroethylene) ferroelectric polymers

Here, we present a comparative study of proton dynamics in unpoled non-ferroelectric polymer polyvinylidene fluoride (PVDF) and in its trifluoroethylene containing ferroelectric copolymer (with 70/30 molar proportion), using quasi-elastic neutron scattering. The neutron data reveal the existence of two distinct types of molecular motions in the temperature range investigated. Moreover, the slower motion, which is characterized in details here, is ascribed to protons jump diffusion along the polymeric carbon chains, while the faster motion could be attributed to localized rotational motion of methylene groups. At temperatures below the Curie point (T-c similar to 385 K) of the composite polymer, the slower diffusive mode experiences longer relaxation times in the ferroelectric blend than in the bare PVDF, although the net corresponding diffusion coefficient remains comparatively the same in both polymers with characteristic activation energy of E-A approximate to 27-33 kJ/mol. This arises because of a temperature dependent jump length r(0), which we observe to be effectively longer in the copolymer, possibly due to the formation of ordered ferroelectric domains below Tc. Above Tc, there is no appreciable difference in r(0) between the two systems. Our observation directly relates the known dependence of Tc on molar ratio to changes in r(0), providing fundamental insight into the ferroelectric properties of PVDF-based copolymers.

36 MATERIALS SCIENCE↗
DOE OSTI2017

A self-consistent and spatially dependent model of the multiband emission of pulsar wind nebulae

A self-consistent and spatially dependent model is presented to investigate the multiband emission of pulsar wind nebulae (PWNe). In this model, a spherically symmetric system is assumed and the dynamical evolution of the PWN is included. The processes of convection, diffusion, adiabatic loss, radiative loss, and photon–photon pair production are taken into account in the electron’s evolution equation, and the processes of synchrotron radiation, inverse Compton scattering, synchrotron self-absorption, and pair production are included for the photon’s evolution equation. Both coupled equations are simultaneously solved. The model is applied to explain observed results of the PWN in MSH 15–52. Our results show that the spectral energy distributions (SEDs) of both electrons and photons are all a function of distance. The observed photon SED of MSH 15–52 can be well reproduced in this model. With the parameters obtained by fitting the observed SED, the spatial variations of photon index and surface brightness observed in the X-ray band can also be well reproduced. Moreover, it can be derived that the present-day diffusion coefficient of MSH 15–52 at the termination shock is κ{sub 0}=6.6×10{sup 24} cm{sup 2} s{sup −1}, the spatial average has a value of κ-bar =1.4×10{sup 25} cm{sup 2} s{sup −1}, and the present-day magnetic field at the termination shock has a value of B{sub 0}=26.6 μG and the spatial averaged magnetic field is B-bar =14.9 μG. The spatial changes of the spectral index and surface brightness at different bands are predicted.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Technical Report: Understanding Functional Lyotropic Liquid Crystal Network Phase Self-Assembly and the Properties of Nanoconfined Water

Through the synergistic interplay of molecular dynamics (MD) simulations, chemical synthesis, and materials characterization by X-ray and neutron scattering techniques, this project investigated the phase behaviors of new classes of aqueous lyotropic liquid crystals (LLCs) and the properties of water nanoconfined within their pores. A portion of our studies focused on the synthesis of new classes of alkylsulfonic acid and alkylphosphonate amphiphiles, which were shown to undergo water-induced self-assembly to form a wide variety of nanostructured morphologies with unusually high degrees of long-range translational order observed by small- angle X-ray scattering (SAXS). Sample LLC morphologies that were observed include the lamellar (L!), tricontinuous double gyroid (G), hexagonally-packed cylinders (H), and low symmetry discontinuous micellar (I) Frank-Kasper phases. Since the G and H phases are the most promising for the development of selective ion transporting membranes for energy applications, we sought the characterize the structure and dynamics of water confined within the sub-3 nm pores of these LLCs using wide-angle neutron diffraction (WAND) and quasielastic neutron scattering (QENS) experiments performed at the Spallation Neutron Source at Oak Ridge National Laboratory. Using molecular dynamics (MD) simulations, we validated models for analyzing this QENS data to obtain water self-diffusion coefficients in LLC G and H phases of carboxylate and sulfonate surfactant LLCs as a function of the identities of their charge compensating counterions.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2012

Hydrogen Species Motion in Piezoelectrics: A Quasi-Elastic Neutron Scattering Study

Hydrogen is known to damage or degrade piezoelectric materials, at low pressure for ferroelectric random access memory applications, and at high pressure for hydrogen powered vehicle applications. The piezoelectric degradation is in part governed by the motion of hydrogen species within the piezoelectric materials. We present here Quasi-Elastic Neutron Scattering (QENS) measurements of the local hydrogen species motion within lead zirconate titanate (PZT) and barium titanate (BTO) on samples charged by gaseous exposure to high-pressure gaseous hydrogen {approx}17 MPa. Filter Analyzed Neutron Spectroscopy (FANS) studies of the hydrogen enhanced vibrational modes are presented as well. Results are discussed in context of theoretically predicted interstitial hydrogen lattice sites and compared to comparable bulk diffusion studies of hydrogen diffusion in lead zirconate titanate.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Mechanistic Study of Nucleation Enhancement in Atomic Layer Deposition by Pretreatment with Small Organometallic Molecules

Thermal atomic layer deposition (ALD) of metals on metal oxide surfaces typically suffers from nucleation delays that result in poor-quality films. The poor nucleation may be caused by a lack of suitable chemisorption sites on the oxide surface, which are needed for metal nucleation to occur. In this work, we demonstrate that prefunctionalizing the surface with a single monolayer of small organometallic molecules from the vapor phase can lead to a significant increase in surface coverage of the metal deposited by ALD. This process is demonstrated for Pt ALD from (methylcyclopentadienyl)trimethylplatinum (MeCpPtMe 3 ) and O 2 , with nucleation enhanced almost 3-fold at 100 ALD cycles after the pretreatment. We hypothesize that the high coverage of the organometallic molecule provides an alternative chemisorption mechanism for the platinum precursor and thus leads to an increase in its uptake. The proposed chemisorption mechanism is robust across several organometallic molecule pretreatments and could potentially be exploited for other organometallic-based metal ALD processes. This chemisorption mechanism was probed using in situ quadrupole mass spectrometry (QMS). The growth of the platinum deposits was investigated in depth through scanning electron microscopy (SEM) and grazing incidence small-angle X-ray scattering (GISAXS). These studies show that the pretreatment also results in the improved wettability of Pt nanoparticles (NPs). The improved wettability is likely to affect the Pt diffusion properties, further contributing to the enhancement observed on the treated substrates. In addition, GISAXS and SEM studies indicate the growth of larger, denser, and more highly ordered Pt NPs at early cycle numbers, which subsequently coalesce into continuous and pinhole-free films. Surface pretreatment by organometallic molecules therefore introduces a potential route to achieve improved nucleation and growth of ultrathin films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

A mechanistic, multiscale model for predicting Pd penetration in TRISO fuels using BISON

TRistructural ISOtropic (TRISO) particles use silicon carbide (SiC) as the primary structural member and barrier against metallic fission product (FP) release. palladiums (PDs), produced by fission in the fuel kernel, can diffuse to and chemically interact with the SiC layer, degrading its structural integrity and ability to contain radioactive FPs. Existing temperature-dependent correlations for predicting Pd penetration rely on experimental data with significant scatter due to varying conditions, potentially complicating ongoing fuel qualification and licensing efforts for advanced reactors that would subject TRISO fuels to operating conditions outside of those examined in the experiments. A mechanistic model of Pd production, transport, and reaction is developed in this work to better understand and predict PD attack of SiC in TRISO particles. molecular dynamicss (MDs) simulations are utilized to calculate the Pd diffusivity in SiC grain bulk and grain boundaries. A mesoscale phase-field diffusion model, informed by the MD diffusivities, is used to develop a reduced order model (ROM) for the effect of SiC microstructure on the Pd penetration rate. The engineering scale BISON model calculates Pd production and transport, utilizing the ROM to predict penetration rates consistent with experimental data. This novel mechanistic ROM captures the effect of temperature, microstructure, and irradiation history on Pd penetration. In conclusion, these new capabilities are expected to support ongoing qualification and licensing efforts associated with near-term TRISO-fueled reactor applications.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Toroidal ripple transport of beam ions in the mega-ampere spherical tokamak

The transport of injected beam ions due to toroidal magnetic field ripple in the mega-ampere spherical tokamak (MAST) is quantified using a full orbit particle tracking code, with collisional slowing-down and pitch-angle scattering by electrons and bulk ions taken into account. It is shown that the level of ripple losses is generally rather low, although it depends sensitively on the major radius of the outer midplane plasma edge; for typical values of this parameter in MAST plasmas, the reduction in beam heating power due specifically to ripple transport is less than 1%, and the ripple contribution to beam ion diffusivity is of the order of 0.1 m{sup 2} s{sup -1} or less. It is concluded that ripple effects make only a small contribution to anomalous transport rates that have been invoked to account for measured neutron rates and plasma stored energies in some MAST discharges. Delayed (non-prompt) losses are shown to occur close to the outer midplane, suggesting that banana-drift diffusion is the most likely cause of the ripple-induced losses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

The velocity distribution of pickup He{sup +} measured at 0.3 AU by MESSENGER

During its interplanetary trajectory in 2007-2009, the MErcury Surface, Space ENvrionment, GEochemistry, and Ranging (MESSENGER) spacecraft passed through the gravitational focusing cone for interstellar helium multiple times at a heliocentric distance R ≈ 0.3 AU. Observations of He{sup +} interstellar pickup ions made by the Fast Imaging Plasma Spectrometer sensor on MESSENGER during these transits provide a glimpse into the structure of newly formed inner heliospheric pickup-ion distributions. This close to the Sun, these ions are picked up in a nearly radial interplanetary magnetic field. Compared with the near-Earth environment, pickup ions observed near 0.3 AU will not have had sufficient time to be energized substantially. Such an environment results in a nearly pristine velocity distribution function that should depend only on pickup-ion injection velocities (related to the interstellar gas), pitch-angle scattering, and cooling processes. From measured energy-per-charge spectra obtained during multiple spacecraft observational geometries, we have deduced the phase-space density of He{sup +} as a function of magnetic pitch angle. Our measurements are most consistent with a distribution that decreases nearly monotonically with increasing pitch angle, rather than the more commonly modeled isotropic or hemispherically symmetric forms. These results imply that pitch-angle scattering of He{sup +} may not be instantaneous, as is often assumed, and instead may reflect the velocity distribution of initially injected particles. In a slow solar wind stream, we find a parallel-scattering mean free path of λ {sub ||} ∼ 0.1 AU and a He{sup +} production rate of ∼0.05 m{sup –3} s{sup –1} within 0.3 AU.

79 ASTRONOMY AND ASTROPHYSICS↗