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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Tagged Short-Range Correlations for Medium to Heavy Ions at an Electron Ion Collider

Understanding short-range correlations between pairs of nucleons in the nucleus is an important nuclear physics topic that can address longstanding mysteries in nuclear physics such as the behavior of dense nuclear systems and the modification of parton distributions. As a collider and with a large acceptance detector, the Jefferson Lab version of the Electron Ion Collider has unique capabilities that are complementary to previous short-range correlation studies, most notably the ability to more fully reconstruct the final state. Optimization of the collider’s detector to maximally exploit these capabilities called for important extensions of existing simulation tools. For this one year laboratory directed research and development project, we upgraded the benchmark electron-nucleon event generator for lepto-production simulation code Benchmark eA Generator for LEptoproduction (BeAGLE) to be able to handle tagged medium-to-heavy nucleons. This included updating the code to correctly handle Fermi motion of nucleons in the nucleus as well as the large momentum caused by short-range correlations. In addition, we also investigated the possibility of improved kinematic reconstruction methods for electron nucleon collisions and looked at pair-spectator tagging of short-range correlations with the Jefferson Lab electron ion collider design. The project progressed very much as planned.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Highly-Cyclable Room-Temperature Phosphorene Polymer Electrolyte Composites for Li Metal Batteries

Despite significant interest toward solid-state electrolytes owing to their superior safety in comparison to liquid-based electrolytes, sluggish ion diffusion and high interfacial resistance limit their application in durable and high-power density batteries. Here, a novel quasi-solid Li + ion conductive nanocomposite polymer electrolyte containing black phosphorous (BP) nanosheets is reported. The developed electrolyte is successfully cycled against Li metal (over 550 h cycling) at 1 mA cm -2 at room temperature. The cycling overpotential is dropped by 75% in comparison to BP-free polymer composite electrolyte indicating lower interfacial resistance at the electrode/electrolyte interfaces. Molecular dynamics simulations reveal that the coordination number of Li + ions around (trifluoromethanesulfonyl)imide (TFSI - ) pairs and ethylene-oxide chains decreases at the Li metal/electrolyte interface, which facilitates the Li + transport through the polymer host. Here, density functional theory calculations confirm that the adsorption of the LiTFSI molecules at the BP surface leads to the weakening of N and Li atomic bonding and enhances the dissociation of Li + ions. This work offers a new potential mechanism to tune the bulk and interfacial ionic conductivity of solid-state electrolytes that may lead to a new generation of lithium polymer batteries with high ionic conduction kinetics and stable long-life cycling.

2D materials↗
NASA NTRS1986

Spacecraft mass spectrometer ion source employing field emission cathodes

An ion source that utilizes a pair of thin-film field emission cathodes to provide current for electric impact ionization is studied. The field emission cathodes are composed of microscopically small needle tips and an extraction electrode; the cathodes generate a 200-eV, 0.1-mA electron beam. The multistep process for the manufacturing of the field emission cathodes is examined. The operation of the ion source, which ionizes atoms and molecules that enter the mass spectrometer with a ram velocity of about 80 km/sec, is described.

Curtis, C. C.↗
DOE OSTI2023

Enhanced Optical Contrast and Switching in Near‐Infrared Electrochromic Devices by Optimizing Conjugated Polymer Oligo(Ethylene Glycol) Sidechain Content and Gel Electrolyte Composition

Abstract A detailed investigation addressing the effects of functionalizing conjugated polymers with oligo(ethylene glycol) (EG n ) sidechains on the performance and polymer‐electrolyte compatibility of electrochromic devices (ECDs) is reported. The electrochemistry for a series of donor‐acceptor copolymers having near‐infrared (NIR)‐optical absorption, where the donor fragment is 3,4‐ethylenedioxythiophene (EDOT) or an EG n functionalized bithiophene (g2T) and the acceptor fragment is diketopyrrolopyrrole (DPP) functionalized with branched alkyl or EG n sidechains, is extensively probed. ECDs are next fabricated and it is found that EG n sidechain incorporation must be finely balanced to promote polymer‐electrolyte compatibility and provide efficient ion exchange. Proper electrolyte‐cation pairing and polymer structural tuning affords a 2x increase in optical contrast (from 12% to 24%) and >60x reduction in switching time (from 20 to 0.3 s). Atomic force microscopy (AFM)/grazing incidence wide‐angle X‐ray scattering (GIWAXS) characterization of the polymer film morphology/microstructure reveals that an over‐abundance of EG n sidechains generates large polymer crystallites, which can suppress ion exchange. Lastly, time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS) indicates sidechain/electrolyte identity does not influence the electrolyte penetration depth into the films, and EG n sidechain inclusion increases electrolyte cation uptake. The material structural design insight and guidelines regarding the polymer‐electrolyte ion insertion/expulsion dynamics reported here should be of significant utility for developing next‐generation mixed ionic‐electronic conducting materials.

Chemistry↗
NASA NTRS2023

Arguments for the Physical Nature of the Triggered Ion-Acoustic Waves Observed on the Parker Solar Probe

Triggered ion-acoustic waves are a pair of coupled waves observed in the previously unexplored plasma regime near the Sun. They may be capable of producing important effects on the solar wind. Because this wave mode has not been observed or studied previously and it is not fully understood, the issue of whether it has a natural origin or is an instrumental artifact can be raised. This paper discusses this issue by examining 13 features of the data such as whether the triggered ion-acoustic waves are electrostatic, whether they are both narrowband, whether they satisfy the requirement that the electric field is parallel to the k-vector, whether the phase difference between the electric field and the density fluctuations is 90°, whether the two waves have the same phase velocity as they must if they are coupled, whether the phase velocity is that of an ion-acoustic wave, whether they are associated with other parameters such as electron heating, whether the electric field instrument otherwise performed as expected, etc. The conclusion reached from these analyses is that triggered ion-acoustic waves are highly likely to have a natural origin although the possibility that they are artifacts unrelated to processes occurring in the natural plasma cannot be eliminated. This inability to absolutely rule out artifacts as the source of a measured result is a characteristic of all measurements.

Electric fields↗
NASA NTRS2008

Evidence for Resonance Scattering in the X-ray Spectrum of Zeta Puppis

We present XMM-Newton Reflection Grating Spectrometer observations of pairs of X-ray emission line profiles from the 0 star Zeta Pup that originate from the same He-like ion. The two profiles in each pair have different shapes and cannot both be consistently fit by models assuming the same wind parameters. We show that the differences in profile shape can be accounted for in a model including the effects of resonance scattering, which affects the resonance line in the pair but not the intercombination line. This implies that resonance scattering is also important in single resonance lines, where its effect is difficult to distinguish from a low effective continuum optical depth in the wind. Thus, resonance scattering may help reconcile X-ray line profile shapes with literature mass-loss rates.

Leutenegger, Maurice↗
NASA NTRS2004

HiPEP Ion Optics System Evaluation Using Gridlets

Experimental measurements are presented for sub-scale ion optics systems comprised of 7 and 19 aperture pairs with geometrical features that are similar to the HiPEP ion optics system. Effects of hole diameter and grid-to-grid spacing are presented as functions of applied voltage and beamlet current. Recommendations are made for the beamlet current range where the ion optics system can be safely operated without experiencing direct impingement of high energy ions on the accelerator grid surface. Measurements are also presented of the accelerator grid voltage where beam plasma electrons backstream through the ion optics system. Results of numerical simulations obtained with the ffx code are compared to both the impingement limit and backstreaming measurements. An emphasis is placed on identifying differences between measurements and simulation predictions to highlight areas where more research is needed. Relatively large effects are observed in simulations when the discharge chamber plasma properties and ion optics geometry are varied. Parameters investigated using simulations include the applied voltages, grid spacing, hole-to-hole spacing, doubles-to-singles ratio, plasma potential, and electron temperature; and estimates are provided for the sensitivity of impingement limits on these parameters.

Willliams, John D.↗
DOE OSTI2020

Computational modeling predicts the stability of both Pd + and Pd2 + ion-exchanged into H-CHA

Passive NO x adsorbers (PNA) using Pd/zeolites have emerged as a promising solution for the reduction of cold-start emissions from vehicle exhaust. However, the nature of the active sites and the mechanisms underlying NO x adsorption in Pd/zeolites remain a subject of ongoing investigation. In this study, we employ quantum chemical simulations to investigate the structure of Pd species in cation-exchange sites at isolated Al and Al pairs in the 6-ring and 8-ring of the CHA framework before the introduction of NO x . Our calculations show that the speciation of Pd in these exchange sites strongly depends on the precise Al arrangement within the framework, as well as the operating conditions. Ionically dispersed Pd is found to be the most favorable species over a wide range of oxidizing and reducing conditions. Small oligomers of PdO and metallic Pd do not appear to be competitive at either isolated Al or Al pairs. Notably, our calculations show that ion exchange sites other than next–next–nearest neighbor Al pairs in the 6-ring will be preferentially occupied by Pd + instead of Pd 2+ . The stability of Pd + in the zeolite environment is an interesting contrast with its rareness in molecular Pd compounds. Nonetheless, a detailed analysis of the electronic structure shows that predicted Pd oxidation states are consistent with chemical intuition for all complexes investigated in this study. We also discuss the potential ambiguity in Pd characterization provided by typical experimental techniques such as XANES, EXAFS and UV-Vis, and highlight the need for additional EPR spectroscopy studies to further elucidate the initial Pd speciation in zeolites for PNA applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Structure of relativistic shocks in pulsar winds: A model of the wisps in the Crab Nebula

We propose a model of a optical 'wisps' of the Crab Nebula, features observed in the nebular synchrotron surface brightness near the central pulsar, as manifestations of the internal structure of the shock terminating the pulsar wind. We assume that this wind is composed of ions and a much denser plasma of electrons and positrons, frozen together to a toroidal magnetic field and flowing relativistically. We construct a form of solitary wave model of the shock structure in which we self-consistently solve for the ion orbits and the dynamics of the relativistically hot, magnetized e(+/-) background flow. We ignore dispersion in the ion energies, and we treat the pairs as an adiabatic fluid. The synchrotron emission enhancements, observed as the wisps, are then explained as the regions where reflection of the ions in the self-consistent magnetic field causes compressions of the e(+/-).

Gallant, Yves A.↗
DOE OSTI2024

Ramifications of Ion Migration in 2D Lead Halide Perovskites

Lower dimensional or 2D halide perovskites with their versatile structural and functional properties, are known to improve the performance and room temperature stability of perovskite solar cells. One would expect 2D perovskites to be more resistant to ion migration compared to their 3D counterparts because of the presence of bulky organic cations. However, recent findings show ion migration indeed is prevalent in 2D halide perovskites similar to 3D perovskites. Halide ion migration in 2D perovskites manifests itself as halide ion segregation under photoirradiation as well as in halide exchange between physically paired films of 2D perovskites with different halide ions. Besides halide ion migration, cation migration of spacer cations and A-site cation is also seen when 2D/3D perovskite films are subjected to light and thermal stress. It is important to recognize the importance of ion migration while incorporating 2D perovskites in solar cells and other optoelectronic devices as it can be detrimental for achieving streamlined performance and long-term stability Furthermore, this perspective discusses recent reports on ion migration in 2D and in 2D/3D halide perovskite films under the operational conditions (at elevated temperature and given in-built bias) and presents a few mitigating strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

High voltage and high specific capacity dual intercalating electrode Li-ion batteries

The present invention provides high capacity and high voltage Li-ion batteries that have a carbonaceous cathode and a nonaqueous electrolyte solution comprising LiF salt and an anion receptor that binds the fluoride ion. The batteries can comprise dual intercalating electrode Li ion batteries. Methods of the present invention use a cathode and electrode pair, wherein each of the electrodes reversibly intercalate ions provided by a LiF salt to make a high voltage and high specific capacity dual intercalating electrode Li-ion battery. The present methods and systems provide high-capacity batteries particularly useful in powering devices where minimizing battery mass is important.

West, William C.↗
DOE OSTI2020

Reduction of waveguide vacuum trips in CEBAF accelerating cavities with a combination ion pump and non-evaporable getter pump

Pressure spikes in the fundamental power coupler waveguide are a significant source of trips during the operation of both original and refurbished superconducting radio-frequency cavities installed in the CEBAF accelerator. In its original configuration, two waveguides from a cavity-pair are connected to a single 32 l/s ion pump. In 2017 a new cavity-pair was installed in a refurbished cryomodule in which a NEXTorr® D200-5 combination ion pump and non-evaporable getter pump was installed for each waveguide. It is shown that hydrogen is the dominant residual gas in the waveguide and simulations with Molflow+ indicated that the new pumping scheme allows reducing the pressure at the end of the waveguide by a factor of ~5 , compared to the original configuration. In conclusion, the new cavity-pair has been operating in CEBAF for a total of 431 days and it only had a total of 3 trips due to vacuum spikes in the waveguide.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1976

Method of constructing dished ion thruster grids to provide hole array spacing compensation

The center-to-center spacings of a photoresist pattern for an array of holes applied to a thin metal sheet are increased by uniformly stretching the thin metal sheet in all directions along the plane of the sheet. The uniform stretching is provided by securely clamping the periphery of the sheet and applying an annular force against the face of the sheet, within the periphery of the sheet and around the photoresist pattern. The technique is used in the construction of ion thruster grid units where the outer or downstream grid is subjected to uniform stretching prior to convex molding. The technique provides alignment of the holes of grid pairs so as to direct the ion beamlets in a direction parallel to the axis of the grid unit and thereby provide optimization of the available thrust.

Banks, B. A.↗
NASA NTRS2007

Simulation Study of Magnetic Fields generated by the Electromagnetic Filamentation Instability driven by Pair Loading

Using a 3-D relativistic particle-in-cell (RPIC) code, we have investigated particle acceleration associated with a relativistic electron-positron (cold) jet propagating into ambient electron-positron and electron-ion plasmas without initial magnetic fields in order to investigate the nonlinear stage of the Weibel instability. We have also performed simulations with broad Lorentz factor distribution of jet electrons and positrons, which are assumed to be created by the photon annihilation. The growth time and nonlinear saturation levels depend on the initial jet parallel velocity distributions and ambient plasma. Simulations show that the Weibel instability created in the collisionless shocks accelerates jet and ambient particles both perpendicular and parallel to the jet propagation direction. The nonlinear fluctuation amplitude of densities, currents, electric, and magnetic fields in the electron-ion ambient plasma are larger than those in the electron-positron ambient plasma. We have shown that plasma instabilities driven by these streaming electron-positron pairs are responsible for the excitation of near-equipartition, turbulent magnetic fields. These fields maintain a strong saturated level on timescales much longer than the electron skin depth at least for the duration of the simulations. Our results reveal the importance of the electromagnetic filamentation instability in ensuring an effective coupling between electron-positron pairs and ions, and may help explain the origin of large upstream fields in GRB shock.

Nishikawa, K.-I.↗
NASA NTRS1997

Physics of Rotation Powered Pulsars and Their Nebulae

This letter is my progress report for the Astrophysics Theory grant. The first goal of the research supported by this grant is to produce a time dependent theory of the unsteady relativistic collisionless shock wave terminating the relativistic wind from a pulsar, and compare the predicted surface brightness fluctuations to Hubble Space Telescope observations of the wisps in the Crab Nebula. The second goal is to model the production of electron-positron pairs over the polar caps of rotation powered pulsars, and use the results to predict the heating of the surface due to particle trapping and bombardment of the atmosphere at the base of the polar field lines. We have succeeded in creating a one dimensional hybrid code, in which the electron-positron pairs incident on the shock structure are modeled as a relativistic, adiabatic, ideal MHD fluid, while the heavy ions are treated as particles using a particle-in-cell algorithm. The electromagnetic fields are evaluated from the currents and charge densities in the pairs and the ions, while the particles and the fluid accelerate in response to the computed self-consistent electromagnetic fields. The results are promising, in that the underlying ion cyclotron instability generates finite amplitude, propagating magnetosonic waves in the pairs, whose wavelengths and frequencies, when translated into physical units, are comparable to the observed running waves of brightness observed by HST near the Crab pulsar. The code is undergoing a number of tests, to assure us that this preliminary correspondence is not an artifact. In the coming year, the observational appearance of the models will be computed and compared to the HST observations of the Crab now in hand, and used to predict the HST results which will be obtained the year after next. WE also developed a one dimensional cascade theory for pair creation over pulsars' polar caps. A linear integral equation describing the synchrotron cascade has been derived and solved by iterative techniques, in the case when a high energy electron moving parallel to a star centered dipole magnetic field initiates the cascade through curvature gamma ray emission.

Arons, Jonathan↗
DOE OSTI2020

Hadron blind Cherenkov counters

A Hadron Blind Detector, or HBD, is a novel form of Cherenkov counter that is designed to provide high efficiency for detecting highly relativistic electrons while being essentially blind to most hadrons. Herein, we present some of the most prominent realizations of the HBD concept in real experiments. We describe the first implementation of an HBD that was made in the CERES experiment at CERN using a spectrometer based on a doublet of hadron blind RICH detectors for the measurement of low-mass electron pairs in pA and AA collisions at the SPS. We next present a detailed account of a more extensive realization of the HBD that was made in the PHENIX experiment for the measurement of low-mass electron pairs in central heavy-ion collisions at RHIC, followed by a description of a very similar detector that is currently under construction at J-PARC for the measurement of vector mesons through their e + e – decay in pA collisions. We conclude with a brief discussion of possible evolutions of the HBD concept as well as possible developments and uses of HBDs in experiments at the future Electron Ion Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

A new perspective on lone pair dynamics in halide perovskites

Halide perovskites form the foundation of an emerging class of materials for broad application in renewable and sustainable applications, including photocatalysis and solar energy harvesting. These materials exhibit beneficial photophysical properties, including bandgaps suitable for solar energy harvesting and efficient charge screening that underlies efficient charge carrier separation and resistance to defects. For organic–inorganic hybrid perovskites, these benefits are thought to arise, in part, from dipolar molecular cations that can reorient in response to charged particles and defects. In this work, we provide a similar perspective for inorganic metal halide perovskites, which do not contain molecular species with permanent dipoles. We discuss how lone pair electrons lead to dipolar ions that exhibit dynamics in analogy with traditional molecular plastic crystals and hybrid perovskites. We argue that further understanding these electronic plastic crystal motions with first principles simulations and synchrotron scattering can help create a basic understanding of photophysical properties of metal halide perovskites and inform the design of advanced functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Biomimetic composite architecture achieves ultrahigh rate capability and cycling life of sodium ion battery cathodes

Sodium ion batteries are an emerging candidate to replace lithium ion batteries in large-scale electrical energy storage systems due to the abundance and widespread distribution of sodium. Despite the growing interest, the development of high-performance sodium cathode materials remains a challenge. In particular, polyanionic compounds are considered as a strong cathode candidate owing to their better cycling stability, a flatter voltage profile, and stronger thermal stability compared to other cathode materials. Here, we report the rational design of a biomimetic bone-inspired polyanionic Na3V2(PO4)3-reduced graphene oxide composite (BI-NVP) cathode that achieves ultrahigh rate charging and ultralong cycling life in a sodium ion battery. At a charging rate of 1 C, BI-NVP delivers 97% of its theoretical capacity and is able to retain a voltage plateau even at the ultra-high rate of 200 C. It also shows long cycling life with capacity retention of 91% after 10 000 cycles at 50 C. The sodium ion battery cells with a BI-NVP cathode and Na metal anode were able to deliver a maximum specific energy of 350 W h kg−1 and maximum specific power of 154 kW kg−1. In situ and postmortem analyses of cycled BI-NVP (including by Raman and XRD spectra) HRTEM, and STEM-EELS, indicate highly reversible dilation–contraction, negligible electrode pulverization, and a stable NVP-reduced graphene oxide layer interface. The results presented here provide a rational and biomimetic material design for the electrode architecture for ultrahigh power and ultralong cyclability of the sodium ion battery full cells when paired with a sodium metal anode.

25 ENERGY STORAGE↗