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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
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↗
NASA NTRS1975

Diffused guides for distributed-feedback lasers

Proposed waveguide is hollow cylindrical pipe. Inside channel surface is infused with gas or metal molecules, forming periodic cross sections along entire length. Light is scattered at periodic infusions, resulting in distributed feedback. Configuration is suited for capillary gas lasers.

Elachi, C.↗
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↗
NASA NTRS1966

Hydrogen and helium ions.

Hydrogen and helium ions formation and destruction, charge transfer, diffusion, role during solar activity, using mass spectrometry, ground radar, etc

RADAR SCATTERING↗
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↗
NASA NTRS2006

Atmospheric Radiation Measurements Aerosol Intensive Operating Period: Comparison of Aerosol Scattering during Coordinated Flights

In May 2003, a Twin Otter airplane, equipped with instruments for making in situ measurements of aerosol optical properties, was deployed during the Atmospheric Radiation Measurements (ARM) Program s Aerosol Intensive Operational Period in Oklahoma. Several of the Twin Otter flights were flown in formation with an instrumented light aircraft (Cessna 172XP) that makes routine in situ aerosol profile flights over the site. This paper presents comparisons of measured scattering coefficients at 467 nm, 530 nm, and 675 nm between identical commercial nephelometers aboard each aircraft. Overall, the agreement between the two nephelometers decreases with longer wavelength. During the majority of the flights, the Twin Otter flew with a diffuser inlet while the Cessna had a 1 mm impactor, allowing for an estimation of the fine mode fraction aloft. The fine mode fraction aloft was then compared to the results of a ground-based nephelometer. Comparisons are also provided in which both nephelometers operated with identical 1 mm impactors. These scattering coefficient comparisons are favorable at the longer wavelengths (i.e., 530 nm and 675 nm), yet differed by approximately 30% at 467 nm. Mie scattering calculations were performed using size distribution measurements, made during the level flight legs. Results are also presented from Cadenza, a new continuous wave cavity ring-down (CW-CRD) instrument, which compared favorably (i.e., agreed within 2%) with data from other instruments aboard the Twin Otter. With this paper, we highlight the significant implications of coarse mode (larger than 1 mm) aerosol aloft with respect to aerosol optical properties.

Hallar, A. G.↗
NASA NTRS2021

Interpretation of Spectral LiDAR Backscattering off the Florida Coast

A multispectral backscattering LiDAR (Light detection and range) system (hereafter Oculus) was integrated into a wave glider and used to estimate the scattering order (i.e., single vs multiple collisions), inherent optical properties (IOPs) and characteristics of particulate scatterers (i.e., relative size, composition and motion) on shelf waters of South East Florida. Oculus has a dual-wavelength configuration (473 and 532 nm) and two detection geometries (off- and on-axis). Characteristics of scatterers were investigated based on two complementary LiDAR-derived proxies (the Structural Dissimilarity Index and the spectral slope of LiDAR backscattering). In March 2017, field measurements showed a covariation between direct and diffuse backscattering contributions during morning hours and away from shore. LiDAR attenuation coefficients explained up to 57% of IOPs variability. The analysis of LiDAR-derived proxies suggested higher turbidity and larger particulates near the coast.

LiDAR↗
DOE OSTI2013

Estimating anisotropic diffusion of neutrons near the boundary of a pebble bed random system

Due to the arrangement of the pebbles in a Pebble Bed Reactor (PBR) core, if a neutron is located close to a boundary wall, its path length probability distribution function in directions of flight parallel to the wall is significantly different than in other directions. Hence, anisotropic diffusion of neutrons near the boundaries arises. We describe an analysis of neutron transport in a simplified 3-D pebble bed random system, in which we investigate the anisotropic diffusion of neutrons born near one of the system's boundary walls. While this simplified system does not model the actual physical process that takes place near the boundaries of a PBR core, the present work paves the road to a formulation that may enable more accurate diffusion simulations of such problems to be performed in the future. Monte Carlo codes have been developed for (i) deriving realizations of the 3-D random system, and (ii) performing 3-D neutron transport inside the heterogeneous model; numerical results are presented for three different choices of parameters. These numerical results are used to assess the accuracy of estimates for the mean-squared displacement of neutrons obtained with the diffusion approximations of the Atomic Mix Model and of the recently introduced [1] Non-Classical Theory with angular-dependent path length distribution. The Non-Classical Theory makes use of a Generalized Linear Boltzmann Equation in which the locations of the scattering centers in the system are correlated and the distance to collision is not exponentially distributed. We show that the results predicted using the Non-Classical Theory successfully model the anisotropic behavior of the neutrons in the random system, and more closely agree with experiment than the results predicted by the Atomic Mix Model. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

DOUBLE POWER LAWS IN THE EVENT-INTEGRATED SOLAR ENERGETIC PARTICLE SPECTRUM

A double power law or a power law with exponential rollover at a few to tens of MeV nucleon{sup −1} of the event-integrated differential spectra has been reported in many solar energetic particle (SEP) events. The rollover energies per nucleon of different elements correlate with a particle's charge-to-mass ratio (Q/A). The probable causes are suggested as residing in shock finite lifetimes, shock finite sizes, shock geometry, and an adiabatic cooling effect. In this work, we conduct a numerical simulation to investigate a particle's transport process in the inner heliosphere. We solve the focused transport equation using a time-backward Markov stochastic approach. The convection, magnetic focusing, adiabatic cooling effect, and pitch-angle scattering are included. The effects that the interplanetary turbulence imposes on the shape of the resulting SEP spectra are examined. By assuming a pure power-law differential spectrum at the Sun, a perfect double-power-law feature with a break energy ranging from 10 to 120 MeV nucleon{sup −1} is obtained at 1 au. We found that the double power law of the differential energy spectrum is a robust result of SEP interplanetary propagation. It works for many assumptions of interplanetary turbulence spectra that give various forms of momentum dependence of a particle's mean free path. The different spectral shapes in low-energy and high-energy ends are not just a transition from the convection-dominated propagation to diffusion-dominated propagation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ANISOTROPY OF TeV COSMIC RAYS AND OUTER HELIOSPHERIC BOUNDARIES

Cosmic rays in the energy range from about tens of GeV to several hundreds of TeV are observed on Earth, with an energy-dependent anisotropy of order 0.01%-0.1% and a consistent topology that appears to significantly change at higher energy. The nearest and most recent galactic cosmic-ray sources might stochastically dominate the observation and possibly explain a change in orientation of the anisotropy as a function of energy. However, the diffusion approximation is not able to explain its non-dipolar structure and, in particular, the significant contribution of small angular scale features. Particle propagation within the mean free path in the local interstellar medium might have a major role in determining the properties of galactic cosmic rays, such as their arrival distribution. In particular, scattering on perturbations induced in the local interstellar magnetic field by the heliosphere wake may cause a re-distribution of anisotropic cosmic rays below about 100 TeV toward the direction of the elongated heliotail and of the local interstellar magnetic field in the outer heliosphere. Such scattering processes are considered responsible for the observed TeV cosmic-ray global anisotropy and its fine angular structure.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Lipid Rafts: Buffers of Cell Membrane Physical Properties

Lateral organization of lipids in the cell membrane appears to be an ancient feature of the cell, given the existence of lipid rafts in both eukaryotic and prokaryotic cells. Currently seen as platforms for protein partitioning, we posit that lipid rafts are capable of playing another role: stabilizing membrane physical properties over varying temperatures and other environmental conditions. Membrane composition defines the mechanical and viscous properties of the bilayer. The composition also varies strongly with temperature, with systematic changes in the partitioning of high and low melting temperature membrane components. In this way, rafts function as buffers of membrane physical properties, progressively counteracting environmental changes via compositional changes; i.e., more high melting lipids partition to the fluid phase with increasing temperature, increasing the bending modulus and viscosity, as thermal effects decrease these same properties. To provide an example of this phenomenon, we have performed neutron scattering experiments and atomistic molecular dynamics simulations on a phase separated model membrane. The results demonstrate a buffering effect in both the lateral diffusion coefficient and the bending modulus of the fluid phase upon changing temperature. Furthermore, this demonstration highlights the potentially advantageous stabilizing effect of complex lipid compositions in response to temperature and potentially other membrane destabilizing environmental conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Morphology and Dynamics in Hydroxide-Conducting Polysulfones

In alkaline zinc–manganese dioxide batteries, there is a need for selective polymeric separators that have good hydroxide ion conductivity but that prevent the transport of zincate (Zn(OH) 4 ) 2- . Here we investigate the nanoscale structure and hydroxide transport in two cationic polysulfones that are promising for these separators. We present the synthesis and characterization for a tetraethylammonium-functionalized polysulfone (TEA-PSU) and compare it to our previous work on an N-butylimidazolium-functionalized polysulfone (NBI-PSU). We perform atomistic molecular dynamics (MD) simulations of both polymers at experimentally relevant water contents. The MD simulations show that both polymers develop well phase separated nanoscale water domains that percolate through the polymer. Calculation of the total scattering intensity from the MD simulations reveal weak or nonexistent ionomer peaks at low wave vectors. The lack of an ionomer peak is due to a loss of contrast in the scattering. The small water domains in both polymers, with median diameters on the order of 0.5–0.7 nm, lead to hydroxide and water diffusion constants that are 1–2 orders of magnitude smaller than their values in bulk water. This confinement lowers the conductivity but also may explain the strong exclusion of zincate from the PSU membranes seen experimentally.

25 ENERGY STORAGE↗
DOE OSTI2026

Large Polaron Screening Delays Mobility Roll-Off in Halide Perovskites under High Injection

The interplay between carrier density regimes and the various scattering processes is fundamental for understanding charge transport efficiency in high-performance semiconductors. Combining ultrafast time-resolved terahertz spectroscopy (TRTS) and transient microwave photoconductivity (TRMC), we measure carrier mobilities over 7 orders of magnitude (10 13 –10 20 carriers cm –3 ), reaching a regime where carrier–carrier scattering dominates and mobility begins to roll off. We find the Caughey–Thomas model can be effectively employed for transport modeling in 3D metal halide perovskites (MHPs), and the mobility roll-off near ∼10 19 cm –3 can be tuned by MHP composition. Carrier lifetime in MHPs starts decreasing at much lower carrier densities due to interband multi-carrier recombination, while intraband carrier mobility remains unchanged as carrier–carrier scattering is screened by the presence of polarons. The validated Caughey–Thomas model provides a practical input for device simulations, prevents overestimation of diffusion length under high injection, and suggests that MHPs are excellent candidates for unipolar device applications under high carrier densities.

14 SOLAR ENERGY↗