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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Coherence mapping to identify the intermediates of multi-channel dissociative ionization

Identifying the short-lived intermediates and reaction mechanisms of multi-channel radical cation fragmentation processes remains a current and important challenge to understanding and predicting mass spectra. We find that coherent oscillations in the femtosecond time-dependent yields of several product ions following ultrafast strong-field ionization represent spectroscopic signatures that elucidate their mechanism of formation and identify the intermediate(s) they originate from. Experiments on endo-dicyclopentadiene show that vibrational frequencies from various intermediates are mapped onto their resulting products. Aided by ab initio methods, we identify the vibrational modes of both the cleaved and intact molecular ion intermediates. These results confirm stepwise and concerted fragmentation pathways of the dicyclopentadiene ion. This study highlights the power of tracking the femtosecond dynamics of all product ions simultaneously and sheds further light onto one of the fundamental reaction mechanisms in mass spectrometry, the retro-Diels Alder reaction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Reduction of the neutron imaginary potential off the stability line and its possible impact on neutron capture rates

The effect of the isovector imaginary optical potential has been studied experimentally by using the particle-evaporation technique for the 11 B + 48 Ca reaction with a 21.8 MeV 11 B beam. Spectra of neutron, proton, and α particles emitted from the neutron-rich compound nucleus 59 Mn have been measured and analyzed with traditional optical model potentials with their original parametrizations as well as with adjusted isovector imaginary components. It is shown that the isovector component of the imaginary potential is indispensable in the reproduction of proton and α-particle yields from this reaction and even needs to be enhanced compared with the suggestions of the original model parametrizations. Furthermore, this can lead to important consequences for astrophysical reaction-rate calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Optimizing Fast Charging and Wetting in Lithium-Ion Batteries with Optimal Microstructure Patterns Identified by Genetic Algorithm

To sustain the high-rate current required for fast charging electric vehicle batteries, electrodes must exhibit sufficiently high effective ionic diffusion. Additionally, to reduce battery manufacturing costs, wetting time must decrease. Both of these issues can be addressed by structuring the electrodes with mesoscale pore channels. However, their optimal spatial distribution, or patterns, is unknown. Herein, a genetic algorithm has been developed to identify these optimal patterns using a CPU-cheap proxy distance-based model to evaluate the impact of the added pore networks. Both coin-cell and pouch cell form factors have been considered for the wetting analysis, with their respective electrolyte infiltration mode. Regular hexagonal and mud-crack-like patterns, respectively, for fast charging and fast wetting were found to be optimal and have been compared with pre-determined, easier to manufacture, patterns. The model predicts that using cylindrical channels arranged in a regular hexagonal pattern is ∼6.25 times more efficient for fast charging as compared to grooved lines with both structuring strategies being restricted to a 5% electrode total volume loss. The model also shows that only a very limited electrode volume loss (1%–2%) is required to dramatically improve the wetting (5–20 times) compared to an unstructured electrode.

25 ENERGY STORAGE↗
DOE OSTI2022

Using electron channeling contrast imaging to inform and improve the growth of high-efficiency GaAs solar cells on nanopatterned GaAs substrates

Patterned substrates provide opportunities for reducing the cost of high-efficiency III-V devices by incorporating mechanically weak layers beneficial for substrate reuse (e.g. by spalling). In this work, the functionality of electron channeling contrast imaging (ECCI) as a tool to efficiently understand and mitigate defect formation is exemplified by developing a process in which high-quality III-V material can be grown on nanopatterned GaAs substrates. Reactive ion etching used in the patterning process was found to damage the GaAs substrate surface, leading to the formation of stacking faults in the epitaxial material as observed by ECCI. Etching the patterned substrates in a 1 NH4OH: 1 H2O2: 50 DI H2O solution for 10 s prior to growth removed the substrate surface damage and stacking faults were no longer present. Growth of solar cell device structures initially produced samples with many macroscale flaws creating shunts in the devices, which complicated the assessment of material quality by device measurements. However, ECCI revealed that the epitaxial material surrounding macroscale flaws was free from any crystallographic defects such as stacking faults and threading dislocations. With this knowledge, we focused on refining the patterning process to eliminate the macroscale flaws. Solar cells were then grown on the improved nanopatterned substrates and exhibited device structures with defect densities less than 5 x 105 cm -2 and average conversion efficiency of 24.8%, nearly identical to devices grown on unpatterned epi-ready substrates (25.0%).

14 SOLAR ENERGY↗
NASA NTRS1991

Cross-sections for the formation of negative ions by electron impact on silane

Cross-sections and appearance potentials for the production of various negative ion species by electron impact on SiH4 have been measured. They are compared with two previous measurements which widely differ with each other. Hess' law has been applied to predict the various possible channels of dissociation.

Srivastava, S. K.↗
NASA NTRS1993

On the escape of oxygen and hydrogen from Mars

Escape rates of oxygen atoms from dissociative recombination of O2(+) above the Martian exobase are computed in light of new information from ab initio calculations of the dissociative recombination process and our recently revised understanding of the Martian dayside ionosphere. Only about 60 percent of the dissociative recombinations occur in channels in which the O atoms are released with energies in excess of the escape velocity. Futhermore, we find that the computed escape fluxes for O depend greatly on the nature of the ion loss process that has been found necessary to reproduce the topside ion density profiles measured by Viking. If it is assumed that the ions are not lost from the gravitational field of the planet, as required by an analysis of nitrogen escape, the computed average O escape rate is 3 x 10 exp 6/sq cm/s, much less than half the H escape rates inferred from measurements of the Lyman-alpha dayglow, which are in the range (1-2) x 10 exp 8/sq cm/s. Suggestions for restoring the relative escape rates of H and O to the stoichiometric ratio of water are explored.

Fox, J. L.↗
NASA NTRS1999

Ultralow Energy Electron Attachment at Sub-Millielectron Volt Resolution

The technique of rare-gas photoionization has been extended by use of direct laser ionization to electron energies epsilon in the range 0-100 meV, with a resolution Delta(epsilon) of 0.4-0.5 meV (FWHM). Tunable UV light at (Lambda)276 nm is produced using a pulsed Nd:YAG laser and nonlinear mixing techniques. The beam is frequency tripled in a pulsed jet of xenon. The VUV radiation, tunable at (Lambda)92 nm, is then used to photoionize Xe at its 2P(sub 1/2) threshold (single-photon ionization). The photoelectrons produced interact with admixed target gas to generate negative ions through the s-wave capture process. Recent results in electron attachment to SF(sub 6) will be reported which show resonance structure at the opening of the ground-state vibrational channels. This structure corresponds to the process of vibrational excitation + attachment, which is superimposed on the underlying s-wave (direct) capture process. It should be a general phenomenon, present in a wide variety of zero-energy electron attaching molecules.

Chutjian, A.↗
NASA NTRS2011

Magnetic Shielding of the Channel Walls in a Hall Plasma Accelerator

In a qualification life test of a Hall thruster it was found that the erosion of the acceleration channel practically stopped after approx 5,600 h. Numerical simulations using a two-dimensional axisymmetric plasma solver with a magnetic field-aligned mesh reveal that when the channel receded from its early-in-life to its steady-state configuration the following changes occurred near the wall: (1) reduction of the electric field parallel to the wall that prohibited ions from acquiring significant impact kinetic energy before entering the sheath, (2) reduction of the potential fall in the sheath that further diminished the total energy ions gained before striking the material, and (3) reduction of the ion number density that decreased the flux of ions to the wall. All these changes, found to have been induced by the magnetic field, constituted collectively an effective shielding of the walls from any significant ion bombardment. Thus, we term this process in Hall thrusters "magnetic shielding."

ion density↗
NASA NTRS2018

Titan's Cold Case Files - Outstanding Questions After Cassini-Huygens

The entry of the Cassini-Huygens spacecraft into orbit around Saturn in July 2004 marked the start of a golden era in the exploration of Titan, Saturn's giant moon. During the prime mission (2004-2008), ground-breaking discoveries were made by the Cassini orbiter including the equatorial dune fields (flyby T3, 2005), northern lakes and seas (T16, 2006), and the large positive and negative ions (T16 & T18, 2006), to name a few. In 2005 the Huygens probe descended through Titan's atmosphere, taking the first close-up pictures of the surface, including large networks of dendritic channels leading to a dried-up seabed, and also obtaining detailed profiles of temperature and gas composition during the atmospheric descent. The discoveries continued through the Equinox mission (2008-2010) and Solstice mission (2010-2017) totaling 127 targeted flybys of Titan in all. Now at the end of the mission, we are able to look back on the high-level scientific questions from the start of the mission, and assess the progress that has been made towards answering these. At the same time, new scientific questions regarding Titan have emerged from the new discoveries that have been made. In this paper we review a cross-section of important scientific questions that remain partially or completely unanswered, ranging from Titan's deep interior to the exosphere. Our intention is to help formulate the science goals for the next generation of planetary missions to Saturn and Titan, and to stimulate new experimental, observation and theoretical investigations in the interim, before such missions arrive again at Titan.

Nixon, C. A.↗
DOE OSTI2021

Unraveling the formation mechanism of NaCoPO 4 polymorphs

Phosphate compounds are one of the attractive classes of cathodes for their potential application in rechargeable Na-ion batteries (NIBs) due to their high insertion voltages and stabilities. Unlike olivine-LiMPO 4 (M = Fe, Mn, Co, Ni) cathodes, maricite-NaMPO 4 phases are electrochemically inactive due to lack of sodium diffusion channels. Interestingly, cobalt bearing compounds exhibit rich polymorphism (α-, β-, ABW- and Red-NaCoPO 4 ). However, the preparation of NaCoPO 4 single phases is challenging due to their closer enthalpies of formation. In this study, we have attempted to understand the formation mechanism of NaCoPO 4 polymorphs during solid state reaction using two different cobalt precursors (Co(OH) 2 and CoCO 3 ). The temperature dependent in-situ powder X-ray Diffraction (PXRD) studies showed the formation of β-NaCoPO 4 at a much lower temperature compared to the one reported in the literature, whilst we have discovered a new high temperature polymorph gamma-NaCoPO 4 . The choice of precursors was also found to be important for the preparation of ABW-NaCoPO 4 , i.e., the rapid decomposition of Co(OH) 2 has resulted in its formation whilst the high stability of CoCO 3 prohibited the same. The order of the formation of the NaCoPO 4 polymorphs during heating was found to be ABW→β→α →$\gamma$. During normal cooling, gamma-NaCoPO 4 transformed primarily into alpha-polymorph whilst quenching in liquid N-2 resulted in the formation of β-NaCoPO 4 The as-synthesized beta- and ABW-NaCoPO 4 phases exhibited high sodium (de)-intercalation voltages (similar to 4.2 and 4.5 V vs. Na + /Na 0 , respectively), albeit with limited reversible capacities. This study is expected to open new avenues to harvest metastable polymorphs based on other transition metals (Fe, Mn and Ni).

25 ENERGY STORAGE↗
DOE OSTI2021

Shear-free mixing to achieve accurate temporospatial nanoscale kinetics through scanning-SAXS: ion-induced phase transition of dispersed cellulose nanocrystals

Time-resolved in situ characterization of well-defined mixing processes using small-angle X-ray scattering (SAXS) is usually challenging, especially if the process involves changes of material viscoelasticity. In specific, it can be difficult to create a continuous mixing experiment without shearing the material of interest; a desirable situation since shear flow both affects nanoscale structures and flow stability as well as resulting in unreliable time-resolved data. Here, we demonstrate a flow-focusing mixing device for in situ nanostructural characterization using scanning-SAXS. Given the interfacial tension and viscosity ratio between core and sheath fluids, the core material confined by sheath flows is completely detached from the walls and forms a zero-shear plug flow at the channel center, allowing for a trivial conversion of spatial coordinates to mixing times. With this technique, the time-resolved gel formation of dispersed cellulose nanocrystals (CNCs) was studied by mixing with a sodium chloride solution. It is observed how locally ordered regions, so called tactoids, are disrupted when the added monovalent ions affect the electrostatic interactions, which in turn leads to a loss of CNC alignment through enhanced rotary diffusion. The demonstrated flow-focusing scanning-SAXS technique can be used to unveil important kinetics during structural formation of nanocellulosic materials. However, the same technique is also applicable in many soft matter systems to provide new insights into the nanoscale dynamics during mixing.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Kinetic Monte Carlo Framework for Coupled Degradation and Dehydration of Anion Exchange Membranes

Kinetic Monte Carlo (kMC) simulations, augmented with temporal-acceleration schemes, can efficiently handle stiff reaction-transport networks when fast processes rapidly relax to quasi-equilibrium on a fixed lattice. However, in glassy anion-exchange membranes (AEM), rare and irreversible chemical degradation events continuously reshape the nanoscale morphology, and the associated hydration and transport degrees of freedom remain far from a well-defined local equilibrium. This combination of evolving state space and nonequilibrated fast dynamics lies outside the scope of existing kMC acceleration frameworks. Here, to address this challenge, we introduce an auxiliary-particle kinetic Monte Carlo (AP-kMC) scheme. In AP-kMC, short-lived mobile particles spawned at degradation sites execute hop, water-elimination, and decay moves, enforcing rapid local relaxation of the hydration structure while preserving the stochastic rules of kMC. Parameterized with molecular-dynamics morphologies and experimental solution degradation kinetics, AP-kMC reproduces the evolution of ion-exchange capacity, water uptake, and conductivity, and reveals a feedback loop in which poorly hydrated sites degrade first and each degradation event induces further local dehydration. The resulting thinning and fragmentation of water channels cause loss of hydrophilic percolation and abrupt conductivity collapse well before complete charge loss. AP-kMC thus reframes AEM durability as a coupled degradation–drying–percolation problem and provides a transferable strategy to simulate reactive, out-of-equilibrium polymer electrolytes where local solvation controls reactivity.

organic↗
DOE OSTI2025

Exploring orbital angular momentum and spin-orbit correlations for gluons at the Electron-Ion Collider

In our previous work [S. Bhattacharya , ], we introduced a pioneering observable aimed at experimentally detecting the orbital angular momentum (OAM) of gluons. Our focus was on the longitudinal double spin asymmetry observed in exclusive dijet production during electron-proton scattering. We demonstrated the sensitivity of the cos ϕ angular correlation between the scattered electron and proton as a probe for gluon OAM at small x and its intricate interplay with gluon helicity. This current work provides a comprehensive exposition, diving further into the aforementioned calculation with added elaboration and in-depth analysis. We reveal that, in addition to the gluon OAM, one also gains access to the spin-orbit correlation of gluons. We supplement our work with a detailed numerical analysis of our observables for the kinematics of the Electron-Ion Collider. In addition to dijet production, we also consider the recently proposed semi-inclusive diffractive deep inelastic scattering process, which potentially offers experimental advantages over dijet measurements. Finally, we investigate quark-channel contributions to these processes and find an unexpected breakdown of collinear factorization. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1991

Nonlinear penetration of whistler pulses into collisional plasmas via conductivity modifications

A strong electromagnetic impulse (about 0.2 microsec) with central frequency in the whistler-wave regime is applied to a large laboratory plasma dominated by Coulomb collisions. Local electron heating at the antenna and transport along B0 create a channel of high conductivity along which the whistler pulse penetrates with little damping. Because of its rapid temporal evolution, this new form of modulational instability does not involve ducting by density gradients which require ion time scales to develop.

Urrutia, J. M.↗
NASA NTRS2009

Autonomously Calibrating a Quadrupole Mass Spectrometer

A computer program autonomously manages the calibration of a quadrupole ion mass spectrometer intended for use in monitoring concentrations and changes in concentrations of organic chemicals in the cabin air of the International Space Station. The instrument parameters calibrated include the voltage on a channel electron multiplier, a discriminator threshold, and an ionizer current. Calibration is achieved by analyzing the mass spectrum obtained while sweeping the parameter ranges in a heuristic procedure, developed by mass spectrometer experts, that involves detection of changes in signal trends that humans can easily recognize but cannot necessarily be straightforwardly codified in an algorithm. The procedure includes calculation of signal-to-noise ratios, signal-increase rates, and background-noise-increase rates; finding signal peaks; and identifying peak patterns. The software provides for several recovery-from-error scenarios and error-handling schemes. The software detects trace amounts of contaminant gases in the mass spectrometer and notifies associated command- and-data-handling software to schedule a cleaning. Furthermore, the software autonomously analyzes the mass spectrum to determine whether the parameters of a radio-frequency ramp waveform are set properly so that the peaks of the mass spectrum are at expected locations.

Lee, Seungwon↗
NASA NTRS2017

Performance, Stability, and Plume Characterization of the HERMeS Thruster with Boron Nitride Silica Composite Discharge Channel

NASA's Hall Effect Rocket with Magnetic Shielding (HERMeS) 12.5kW Technology Demonstration Unit-3 (TDU-3) has been the subject of extensive technology maturation in preparation for flight system development. Detailed performance, stability, and plume characterization tests of the thruster were performed at NASA GRC's Vacuum Facility 5 (VF-5). The TDU-3 thruster implements a magnetic topology that is identical to TDU-1. The TDU-3 boron nitride silica composite discharge channel material is different than the TDU-1 heritage boron nitride discharge channel material. Performance and stability characterization of the TDU-3 thruster was performed at discharge voltages between 300V and 600V and at discharge currents between 5A and 21.8A. The thruster performance and stability were assessed for varying magnetic field strength, cathode flow fractions between 5% and 9%, varying harness inductance, and for reverse magnet polarity. Performance characterization test results indicate that the TDU-3 thruster performance is in family with the TDU-1 levels. TDU-3's thrust efficiency of 65% and specific impulse of 2,800sec at 600V and 12.5kW exceed performance levels of SOA Hall thrusters. Thruster stability regimes were characterized with respect to the thruster discharge current oscillations (discharge current peak-to-peak and root mean square magnitudes), discharge current waveform power spectral density analysis, and maps of the current-voltage-magnetic field. Stability characterization test results indicate a stability profile similar to TDU-1. Finally, comparison of the TDU-1 and TDU-3 plume profiles found that there were negligible differences in the plasma plume characteristics between the TDU with heritage boron nitride versus the boron nitride silica composite discharge channel.

ion engines↗
DOE OSTI2022

Highly stretchable organic electrochemical transistors with strain-resistant performance

Realizing fully stretchable electronic materials is central to advancing new types of mechanically agile and skin-integrable optoelectronic device technologies. Here we demonstrate a materials design concept combining an organic semiconductor film with a honeycomb porous structure with biaxially prestretched platform that enables high-performance organic electrochemical transistors with a charge transport stability over 30-140% tensional strain, limited only by metal contact fatigue. In this work, the prestretched honeycomb semiconductor channel of donor-acceptor polymer poly(2,5-bis(2-octyldodecyl)-3,6-di(thiophen-2-yl)-2,5-diketo-pyrrolopyrrole-alt-2,5-bis(3-triethyleneglycoloxy-thiophen-2-yl) exhibits high ion uptake and completely stable electrochemical and mechanical properties over 1,500 redox cycles with 10(4) stretching cycles under 30% strain. Invariant electrocardiogram recording cycles and synapse responses under varying strains, along with mechanical finite element analysis, underscore that the present stretchable organic electrochemical transistor design strategy is suitable for diverse applications requiring stable signal output under deformation with low power dissipation and mechanical robustness. Highly stretchable organic electrochemical transistors with stable charge transport under severe tensional strains are demonstrated using a honeycomb semiconducting polymer morphology, thereby enabling controllable signal output for diverse stretchable bioelectronic applications.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

The Side Plume of Magnetically Shielded Hall Thrusters

A combination of near-thruster laser-induced fluorescence and far-field plasma probe measurements collected from two magnetically shielded Hall thrusters have shown that there exist an independent ion population of medium-energy (on average, 60-190 eV) exiting out the side (60° to 100° from firing axis) of the thrusters. Studying the trends with background pressure and known discrepancies between the laser-induced fluorescence and far-field plasma probe data suggest that at zero pressure the side plume is likely to exhibit higher energy and lower density than at facility background pressures. The possibility that these ions were produced by the modified two-stream instability is explored and while the agreement is good, there are areas of notable disagreement. Based on the idea that production of the side plume and channel exit striations are due to the same plasma wave actions, a theory was explored that explains why striations form under certain circumstances but not others. Another theory, based on the idea that side plume production only occurs over certain portion of the global discharge oscillation cycle, was also explored and areas of disagreement were identified. While the exact mechanism for side plume acceleration remains unclear, if the theory behind side plume production is correct, then side plume can be expected to be present in a wide range of magnetically-shielded as well as non-shielded Hall thrusters.

Hall thruster↗