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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Complexing Agent-Assisted Membraneless Zinc–Iodine Aqueous Batteries

A membrane is required for conventional zinc–iodine aqueous batteries, since soluble polyiodides cross over to the anode side and react with zinc metal spontaneously. Making the battery membraneless increases ion transport and reduces its cost and overall footprint. In this paper, a membraneless Zn–I 2 aqueous battery is demonstrated, employing a complexing agent, 1-butyl-1-methylpyrrolidinium iodide (MBPI), to promote the formation of I 5 – -containing, phase-separated polyiodides upon charging, to minimize self-discharge and suppress Zn dendrite growth. With an additional 0.3 M MBPI in 4 M ZnI 2 electrolyte, the membraneless battery achieved 65 cycles with >85% Coulombic efficiency, whereas the MBPI-free control failed immediately. Additionally, a volumetric capacity of 14.3 Ah L –1 was achieved, surpassing those of most membraneless batteries reported to date regardless of redox chemistry, and underscores the potential of complexing agents in simplifying the architecture of conventional Zn–I 2 flow batteries.

25 ENERGY STORAGE↗
NASA NTRS1985

The properties of thin-section, four-point-contact ball bearings in space

Thin section, four-point-contact ball bearings are increasinly employed in spacecraft mechanisms because of the potential advantages they offer. However, litte was previously known of their torque, thermal conductance and stiffness properties at conditions anticipated for their use in space. An investigation of these properties are described. It was found that frictional (Coulomb) torque, thermal conductance and stiffness all show marked dependence on the bearing preload, the housing design, the bearing external fit (i.e., free fit or interference) and on the thermal gradient across the races. Optimum bearing performance is achieved only if these properties are well understood. The necessary data to understand these properties are provided.

Rowntree, R. A.↗
DOE OSTI2026

Surface Vacancy Engineering Re-Routes First-Cycle Redox for Stabilized Li-Rich Layered Cathodes

We demonstrate that atomic-scale surface disorder can control the first-cycle redox sequence of Li-rich layered oxides, eliminating the detrimental process of oxygen release and lattice collapse that degrades performance. In Li1.14Ni0.32Mn0.54O2 (LNMO), a simple chemical treatment introduces oxygen and transition metal (TM) vacancies confined to the particle surface while preserving the bulk layered framework. Multi-modal synchrotron analyses reveal that these vacancies trigger an early oxygen oxidation below 4.4 V, delay nickel oxidation to higher potential, and suppress the formation of covalent Ni4+─O states. This modified pathway prevents irreversible oxygen release, suppresses manganese dissolution, and maintains metal-oxygen coordination at high voltages. Consequently, the treated cathode delivers higher first-cycle Coulombic efficiency (CE), mitigated voltage fade, and superior capacity retention. By directly linking engineered surface disorder to redox reactions and associated structural transformations, this work establishes a general design principle for durable, high-energy-density cathodes.

Kang, Seongkoo↗
NASA NTRS2021

A Critical Look at Coulomb Counting Approach for State of Charge Estimation in Batteries

In this paper, we consider the problem of state-of-charge estimation for rechargeable batteries. Coulomb counting is a well-known method for estimating the state of charge, and it is regarded as accurate as long as the battery capacity and the beginning state of charge are known. The Coulomb counting approach, on the other hand, is prone to inaccuracies from a variety of sources, and the magnitude of these errors has not been explored in the literature. We formally construct and quantify the state-of-charge estimate error during Coulomb counting due to four types of error sources: (1) current measurement error; (2) current integration approximation error; (3) battery capacity uncertainty; and (4) timing oscillator error/drift. It is demonstrated that the state-of-charge error produced can be either time-cumulative or state-of-charge-proportional. Time-cumulative errors accumulate over time and have the potential to render the state-of-charge estimation utterly invalid in the long term. The proportional errors of the state of charge rise with the accumulated state of charge and reach their worst value within one charge/discharge cycle. The study presents methods for reducing time-cumulative and state-of-charge-proportional mistakes through simulation analysis.

Battery management system↗
DOE OSTI2026

Binder-Free Graphite Anodes for Next-Generation High-Performance Lithium-Ion Batteries

High-energy density anodes are crucial for next-generation lithium-ion batteries (LIBs) particularly for electric vehicle (EV) applications. Sluggish lithium-diffusion kinetics coupled with conventional anode fabrication processes containing polymeric binders hinder fast-charging capabilities and high-energy density of graphite. Herein, we introduce a binder-free graphite anode fabrication strategy using the electrospinning technique that contains ~2.41% carbon nanotubes (CNTs). Our strategy relies on the formation of an interconnecting conductive CNT network coupled with an ultrathin N-doped carbon coating on graphite particles from sacrificial binders. This combination enhances both structural integrity and electrical conductivity and, in turn, improves fast-charging capabilities and high energy density of LIBs. The binder-free graphite anode achieves ~335.0 mAh g–1 capacity at C/3 rate over 400 cycles with capacity retention of >95% and average Coulombic efficiencies >99.95%. These promising results suggest that the binder-free anode fabrication with a multifunctional design approach could elevate the energy-density limits of the graphite anodes, solving high-energy density requirements of EVs, and potentially provides a path forward for the development of economically feasible energy storage systems for various applications.

Ozcan, Muca [ORNL] (ORCID:0000000320020474)↗
DOE OSTI2026

Isospin symmetry holds beyond the proton drip line: First observation of excited states in 55Cu

Isospin symmetry, combined with shell-model description, has long been successful in reproducing nuclear structure and predicting mirror energy differences. However, these descriptions have been primarily limited to mirror nuclei with well-bound ground states. As one approaches the proton drip line, coupling to the continuum becomes important. Despite this, little is known about medium-mass nuclei at the drip line. Here we report the measurement of the excitation energies of several unbound states in a nucleus beyond the proton drip line, 55Cu, performed via γ-ray spectroscopy at the Radioactive Isotope Beam Factory (RIKEN). Several low-lying yrast states are observed to decay predominantly by γ-ray emission. In contrast, the state–predicted to be strongly populated in the one-proton knockout reaction–is notably absent, suggesting that it decays primarily via prompt proton emission. We show that even for such an unbound system, shell-model calculations based on a harmonic oscillator potential reproduce the observed mirror energy differences remarkably well in all the observed states. Based on this result, we propose that a general pattern might emerge where, in medium-mass systems at the proton drip line, the stronger Coulomb barrier together with the centrifugal barrier effectively confines the wave functions, so that the shell model is able to describe low-lying states, enabling accurate predictions of mirror energy differences between isobaric analogue states.

Pigliapoco, S [Dipartimento di Fisica e Astronomia↗
NASA NTRS1981

The ionization state in a gas with a non-Maxwellian electron distribution

The inferred degree of ionization of a gas is often used in astrophysics as a diagnostic of the gas temperature. In the solar transition region and corona, in the outer atmospheres of cool stars, and in some portions of the interstellar medium), photoionization can be neglected, and the ionization state is fixed by the balance between ion-electron collisional ionization and dielectronic and/or radiative recombination. Under these conditions, higher degrees of ionization result from higher energy ion-electron collisions which are common in a high temperature gas. Actually, ionization occurs through collisions with electrons that have kinetic energies greater than the ionization potential of the given ion, and so the ionization rate depends on to the number of such high-energy electrons in the tail of the electron velocity distribution. High-velocity electrons move across large distances between effective coulomb collisions, and, in a strong temperature or density gradient, the tail can be overpopulated relative to Maxwell-Boltzmann distribution of equivalent energy density. Thus, the ionization rate can also be greatly increased. These effects for a parameterized form of the electron distribution function with an enhanced high-velocity tail, namely the kappa distribution are illustrated.

Owocki, S. P.↗
NASA NTRS1998

Results From Mars Show Electrostatic Charging of the Mars Pathfinder Sojourner Rover

Indirect evidence (dust accumulation) has been obtained indicating that the Mars Pathfinder rover, Sojourner, experienced electrostatic charging on Mars. Lander camera images of the Sojourner rover provide distinctive evidence of dust accumulation on rover wheels during traverses, turns, and crabbing maneuvers. The sol 22 (22nd Martian "day" after Pathfinder landed) end-of-day image clearly shows fine red dust concentrated around the wheel edges with additional accumulation in the wheel hubs. A sol 41 image of the rover near the rock "Wedge" (see the next image) shows a more uniform coating of dust on the wheel drive surfaces with accumulation in the hubs similar to that in the previous image. In the sol 41 image, note particularly the loss of black-white contrast on the Wheel Abrasion Experiment strips (center wheel). This loss of contrast was also seen when dust accumulated on test wheels in the laboratory. We believe that this accumulation occurred because the Martian surface dust consists of clay-sized particles, similar to those detected by Viking, which have become electrically charged. By adhering to the wheels, the charged dust carries a net nonzero charge to the rover, raising its electrical potential relative to its surroundings. Similar charging behavior was routinely observed in an experimental facility at the NASA Lewis Research Center, where a Sojourner wheel was driven in a simulated Martian surface environment. There, as the wheel moved and accumulated dust (see the following image), electrical potentials in excess of 100 V (relative to the chamber ground) were detected by a capacitively coupled electrostatic probe located 4 mm from the wheel surface. The measured wheel capacitance was approximately 80 picofarads (pF), and the calculated charge, 8 x 10(exp -9) coulombs (C). Voltage differences of 100 V and greater are believed sufficient to produce Paschen electrical discharge in the Martian atmosphere. With an accumulated net charge of 8 x 10(exp -9) C, and average arc time of 1 msec, arcs can also occur with estimated arc currents approaching 10 milliamperes (mA). Discharges of this magnitude could interfere with the operation of sensitive electrical or electronic elements and logic circuits. Sojourner rover wheel tested in laboratory before launch to Mars. Before launch, we believed that the dust would become triboelectrically charged as it was moved about and compacted by the rover wheels. In all cases observed in the laboratory, the test wheel charged positively, and the wheel tracks charged negatively. Dust samples removed from the laboratory wheel averaged a few ones to tens of micrometers in size (clay size). Coarser grains were left behind in the wheel track. On Mars, grain size estimates of 2 to 10 mm were derived for the Martian surface materials from the Viking Gas Exchange Experiment. These size estimates approximately match the laboratory samples. Our tentative conclusion for the Sojourner observations is that fine clay-sized particles acquired an electrostatic charge during rover traverses and adhered to the rover wheels, carrying electrical charge to the rover. Since the Sojourner rover carried no instruments to measure this mission's onboard electrical charge, confirmatory measurements from future rover missions on Mars are desirable so that the physical and electrical properties of the Martian surface dust can be characterized. Sojourner was protected by discharge points, and Faraday cages were placed around sensitive electronics. But larger systems than Sojourner are being contemplated for missions to the Martian surface in the foreseeable future. The design of such systems will require a detailed knowledge of how they will interact with their environment. Validated environmental interaction models and guidelines for the Martian surface must be developed so that design engineers can test new ideas prior to cutting hardware. These models and guidelines cannot be validated without actual flighata. Electrical charging of vehicles and, one day, astronauts moving across the Martian surface may have moderate to severe consequences if large potential differences develop. The observations from Sojourner point to just such a possibility. It is desirable to quantify these results. The various lander/rover missions being planned for the upcoming decade provide the means for doing so. They should, therefore, carry instruments that will not only measure vehicle charging but characterize all the natural and induced electrical phenomena occurring in the environment and assess their impact on future missions.

Kolecki, Joseph C.↗
DOE OSTI2024

Multiferroicity and Topology in Twisted Transition Metal Dichalcogenides

Van der Waals heterostructures have recently emerged as an exciting platform for investigating the effects of strong electronic correlations, including various forms of magnetic or electrical orders. Here, we perform an unbiased exact diagonalization study of the effects of interactions on topological flat bands of twisted transition metal dichalcogenides (TMDs) at odd integer fillings. For hole-filling ν h = 1 , we find that the Chern insulator phase, expected from interaction-induced spin-valley polarization of the bare bands, is quite fragile, and gives way to spontaneous multiferroic order—coexisting ferroelectricity and ferromagnetism, in the presence of long-range Coulomb repulsion. We provide a simple real-space picture to understand the phase diagram as a function of interaction range and strength. Our findings establish twisted TMDs as a novel and highly tunable platform for multiferroicity, and we outline a potential route towards electrical control of magnetism in the multiferroic phase. Published by the American Physical Society 2024

Abouelkomsan, Ahmed (ORCID:0000000247873357)↗
NASA NTRS1992

Lyapunov function-based control laws for revolute robot arms - Tracking control, robustness, and adaptive control

A new class of joint level control laws for all-revolute robot arms is introduced. The analysis is similar to a recently proposed energy-like Liapunov function approach, except that the closed-loop potential function is shaped in accordance with the underlying joint space topology. This approach gives way to a much simpler analysis and leads to a new class of control designs which guarantee both global asymptotic stability and local exponential stability. When Coulomb and viscous friction and parameter uncertainty are present as model perturbations, a sliding mode-like modification of the control law results in a robustness-enhancing outer loop. Adaptive control is formulated within the same framework. A linear-in-the-parameters formulation is adopted and globally asymptotically stable adaptive control laws are derived by simply replacing unknown model parameters by their estimates (i.e., certainty equivalence adaptation).

Wen, John T.↗
DOE OSTI2025

Interactions between Per- and Polyfluoroalkyl Substances (PFAS) at the Water–Air Interface

Per- and polyfluoroalkyl substances (PFAS)--so-called “forever chemicals”--contaminate the drinking water of about 100 million people in the U.S. alone and are inefficiently removed by standard treatment techniques. A key property of these compounds that underlies their fate and transport and the efficacy of several promising remediation approaches is that they accumulate at the water−air interface. This phenomenon remains incompletely understood, particularly under conditions relevant to natural and treatment systems where water−air interfaces often carry significant loads of other organic contaminants or natural organic matter. To understand the impact of organic loading on PFAS adsorption, we carried out molecular dynamics simulations of PFAS at varying interfacial densities. We find that adsorbed PFAS form strong mutual interactions (attraction between perfluoroalkyl chains and electrostatic interactions among charged head groups) that give rise to ordered interfacial coatings. Furthermore, these interactions often involve near-cancellation of hydrophobic attraction and Coulomb repulsion. Our findings explain an apparent paradox whereby PFAS adsorption isotherms often suggest minimal mutual interactions while simultaneously displaying a high sensitivity to the composition and density of interfacial coatings. Consideration of the compounds present with PFAS at the interface has the potential to allow for more accurate predictions of fate and transport and the design of more efficient remediation approaches.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Neural network potentials with effective charge separation for non-equilibrium dynamics of ionic solids: a ZnO case study

Developing neural network potentials (NNPs) accurate under non-equilibrium dynamics is challenging, as such systems require extensive sampling beyond equilibrium phases. Here we construct high-fidelity NNPs for zinc oxide (ZnO), a polymorphic ionic solid, using density functional theory (DFT) reference data. To efficiently capture transitional configurations, we combine enhanced-sampling molecular dynamics with empirical potentials, data distillation, and pretraining on short-range atomic energies (A-Train), followed by transfer learning with DFT-relabeled datasets. This hierarchical approach improves transferability across polymorphs and stress states. We further introduce effective charge separation, treating long-range Coulombic terms analytically while short-range residual interactions are learned by the NNP. The optimal effective charges fall in the range 0.5–1.0 q e , consistent with dielectric-screened values derived from formal charges but distinct from Bader estimates. Motivated by this observation, we propose a simple data-driven protocol in which effective charges are optimized by comparing DFT reference energies with explicit Coulomb calculations, without additional NNP training. This strategy improves accuracy and transferability in DFT-level predictions of energies, forces, and stress. Together, these results provide a practical charge-selection framework for robust NNP development in ionic solids, enabling reliable simulation of polymorphic phase transformations and non-equilibrium dynamics.

Chemistry↗
NASA NTRS1995

Spray combustion at normal and reduced gravity in counterflow and co-flow configurations

Liquid fuel dispersion in practical systems is typically achieved by spraying the fuel into a polydisperse distribution of droplets evaporating and burning in a turbulent gaseous environment In view of the nearly insurmountable difficulties of this two-phase flow, a systematic study of spray evaporation and burning in configurations of gradually increasing levels of complexity, starting from laminar sprays to fully turbulent ones, would be useful. A few years ago we proposed to use an electrostatic spray of charged droplets for this type of combustion experiments under well-defined conditions. In the simplest configuration, a liquid is fed into a small metal tube maintained at several kilovolts relative to a ground electrode few centimeters away. Under the action of the electric field, the liquid meniscus at the outlet of the capillary takes a conical shape, with a thin jet emerging from the cone tip (cone-jet mode). This jet breaks up farther downstream into a spray of charged droplets - the so-called ElectroSpray (ES). Several advantages distinguish the electrospray from alternative atomization techniques: (1) it can produce quasi-monodisperse droplets over a phenomenal size range; (2) the atomization, that is strictly electrostatic, is decoupled from gas flow processes, which provides some flexibility in the selection and control of the experimental conditions; (3) the Coulombic repulsion of homopolarly charged droplets induces spray self-dispersion and prevents droplet coalescence; (4) the ES provides the opportunity of studying regimes of slip between droplets and host gas without compromising the control of the spray properties; and (5) the compactness and potential controllability of this spray generation system makes it appealing for studies in reduced-gravity environments aimed at isolating the spray behavior from natural convection complications. With these premises, in March 1991 we initiated a series of experiments under NASA sponsorship (NAG3-1259 and 1688) in which the ES was used as a research tool to examine spray combustion in counter-flow and co-flow spray diffusion flames, as summarized below. The ultimate objective of this investigation is to examine the formation and burning of sprays of liquid fuels, at both normal and reduced gravity, first in laminar regimes and then in turbulent ones.

Gomez, Alessandro↗
NASA NTRS2013

New Evidence for Efficient Collisionless Heating of Electrons at the Reverse Shock of a Young Supernova Remnant

Although collisionless shocks are ubiquitous in astrophysics, certain key aspects of them are not well understood. In particular, the process known as collisionless electron heating, whereby electrons are rapidly energized at the shock front, is one of the main open issues in shock physics. Here, we present the first clear evidence for efficient collisionless electron heating at the reverse shock of Tycho's supernova remnant (SNR), revealed by Fe K diagnostics using high-quality X-ray data obtained by the Suzaku satellite. We detect K beta (3p yields 1s) fluorescence emission from low-ionization Fe ejecta excited by energetic thermal electrons at the reverse shock front, which peaks at a smaller radius than Fe K alpha (2p yields 1s) emission dominated by a relatively highly ionized component. Comparisons with our hydrodynamical simulations imply instantaneous electron heating to a temperature 1000 times higher than expected from Coulomb collisions alone. The unique environment of the reverse shock, which is propagating with a high Mach number into rarefied ejecta with a low magnetic field strength, puts strong constraints on the physical mechanism responsible for this heating and favors a cross-shock potential created by charge deflection at the shock front. Our sensitive observation also reveals that the reverse shock radius of this SNR is about 10% smaller than the previous measurement using the Fe K alpha morphology from the Chandra observations. Since strong Fe K beta fluorescence is expected only from low-ionization plasma where Fe ions still have many 3p electrons, this feature is key to diagnosing the plasma state and distribution of the immediate postshock ejecta in a young SNR.

Fe K diagnostics↗
DOE OSTI2025

Multidimensional Coherent Spectroscopy of van der Waals materials and heterostructures (Final Technical Report)

This project advanced multidimensional coherent spectroscopy (MDCS) and related spectroscopic-imaging methods as quantitative probes of many-body optical excitations in two-dimensional (2D) van der Waals (vdW) semiconductors and their heterostructures. Monolayer transition-metal dichalcogenides (TMDs) such as MoSe 2 and WSe 2 provide a uniquely strong platform for excitonic physics due to reduced dielectric screening, which enhances Coulomb interactions and makes higher-order correlated states (e.g., biexcitons and exciton–trion correlations) more prominent than in conventional bulk semiconductors. At the same time, the same sensitivity that enables strong interactions also increases susceptibility to spatial inhomogeneity—e.g., strain gradients, wrinkles, nanoscale disorder potentials, and charge puddling—which can broaden resonances, obscure interaction signatures, and complicate device-to-device reproducibility. The work reported here addressed this dual opportunity and challenge by: (i) developing and deploying coherent multidimensional methods (including double-quantum MDCS) capable of isolating interaction signals with reduced background, (ii) integrating electrostatic control to tune carrier populations and interaction strengths in situ, and (iii) introducing complementary spatially resolved photoluminescence (PL) techniques—hyperspectral PL imaging and polarization-/field-dependent PL lineshape analysis—to directly quantify disorder, strain, and localization that govern the coherent response.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Recycled graphite enabled superior performance for lithium ion batteries

Recycling graphite attracts growing attention since cumulative amount of spent Li-ion batteries and the shortage of graphite supply chain. Although various recycling methods have been reported, the recycled graphite cannot reach the strict commercial standards of purity, scalability, efficiency, and capacity, preventing it from battery manufacturing. Herein, the important roles of defects and functional groups on the graphite surface are deeply studied, and a closed-loop graphite recycling process with the surface recovery and modification for the graphite from the end-of-life batteries is demonstrated. The recovered graphite delivers a purity of over 99.9 % and an average initial coulombic efficiency of 91.5 %. Compared with commercial graphite in industrial standard battery testing parameters, full cells with recovered graphite possess enhanced rate reversibility, doubled cycle life, over 10 % higher capacity along with half anode material cost. In conclusion, these impressive results not only underscore the transformative potential of surface reconstruction and modification in graphite recycling, but also present economic feasibility and sustainable pathway for significantly improving battery performance and addressing global resource challenges via integration with the hydrometallurgical recycling process.

25 ENERGY STORAGE↗
DOE OSTI2024

Studying the interaction between charm and light-flavor mesons

The two-particle momentum correlation functions between charm mesons ( D * ± and D ± ) and charged light-flavor mesons ( π ± and K ± ) in all charge combinations are measured for the first time by the ALICE Collaboration in high-multiplicity proton–proton collisions at a center-of-mass energy of s = 13 TeV . For DK and D * K pairs, the experimental results are in agreement with theoretical predictions of the residual strong interaction based on quantum chromodynamics calculations on the lattice and chiral effective field theory. In the case of D π and D * π pairs, tension between the calculations including strong interactions and the measurement is observed. For all particle pairs, the data can be adequately described by Coulomb interaction only, indicating a shallow interaction between charm and light-flavor mesons. Finally, the scattering lengths governing the residual strong interaction of the D π and D * π systems are determined by fitting the experimental correlation functions with a model that employs a Gaussian potential. The extracted values are small and compatible with zero. © 2024 CERN, for the ALICE Collaboration 2024 CERN

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1997

Guided Plasmaspheric Hiss Interactions with Superthermal Electrons: Resonance Curves and Timescales - Part 1

Under the proper conditions, guided plasmaspheric hiss is shown to be more efficient than Coulomb collisions at scattering electrons in the superthermal energy range of 50 to 500 eV. Broadband, whistler mode hiss becomes guided by plasma density gradients, intensifying the wave energy densities and focusing the wave normal angles. These waves are shown to interact through Cherenkov (Landau) resonance with electrons below 500 eV, and the presented equatorial plane timescales for pitch angle, energy, and mixed diffusion are shown to be faster than Coulomb collision timescales for typical values at the inner edge of the plasmapause and in detached plasma regions. In the latter case, energy diffusion timescales of less than 100 s for small pitch angle electrons between 250 and 500 eV indicate that these waves have the potential to dramatically change the distribution function.

Liemohn, M. W.↗