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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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232 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Untangling Sources of Error in the Density-Functional Many-Body Expansion

The many-body expansion provides a framework for data-driven applications of electronic structure theory, including parametrization of classical force fields and machine learning. In this article, we demonstrate that its use significantly amplifies quadrature grid errors when modern density-functional approximations are employed. Standard grids that work well in conventional density-functional calculations result in runaway error accumulation when used with the many-body expansion. At the same time, delocalization error is also exacerbated, leading to exaggerated estimates of nonadditive n-body interactions. This is illustrated for anion–water clusters using the SCAN, r2SCAN, ωB97X-V and ωB97M-V functionals. By employing dense quadrature grids, the inherent self-interaction error is exposed, which can then be mitigated using a variety of other strategies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Runaway tails in magnetized plasmas

The evolution of a runaway tail driven by a dc electric field in a magnetized plasma is analyzed. Depending on the strength of the electric field and the ratio of plasma to gyrofrequency, there are three different regimes in the evolution of the tail. The tail can be (1) stable with electrons accelerated to large parallel velocities, (2) unstable to Cerenkov resonance because of the depletion of the bulk and the formation of a positive slope, (3) unstable to the anomalous Doppler resonance instability driven by the large velocity anisotropy in the tail. Once an instability is triggered (Cerenkov or anomalous Doppler resonance) the tail relaxes into an isotropic distribution. The role of a convection type loss term is also discussed.

Moghaddam-Taaheri, E.↗
NASA NTRS1987

Positron annihilation gamma rays from novae

The potential for observing annihilation gamma rays from novae is investigated. These gamma rays, a unique signature of the thermonuclear runaway models of novae, would result from the annihilation of positrons emitted by beta(+)-unstable nuclei produced near the peak of the runaway and carried by rapid convection to the surface of the nova envelope. Simple models, which are extensions of detailed published models, of the expansion of the nova atmospheres are evolved. These models serve as input into investigations of the fate of nearby Galactic fast novae could yield detectable fluxes of electron-positron annihilation gamma rays produced by the decay of N-13 and F-18. Although nuclear gamma-ray lines are produced by other nuclei, it is unlikely that the fluxes at typical nova distances would be detectable to present and near-future instruments.

Leising, Mark D.↗
DOE OSTI2021

Simultaneously Blocking Chemical Crosstalk and Internal Short Circuit via Gel-Stretching Derived Nanoporous Non-Shrinkage Separator for Safe Lithium-Ion Batteries

The separator, an ionic permeable and electronic insulating membrane between cathode and anode, plays a crucial role in the electrochemical and safety performance of batteries. However, the commercial polyolefin separators not only suffer from inevitable thermal shrinkage at elevated temperature, but also fail to inhibit the hidden chemical crosstalk of reactive gases such as O 2 , leading to often reported thermal runaway (TR) and hence preventing large-scale implementation of high-energy-density lithium-ion batteries. Herein, a nanoporous non-shrinkage separator (GS-PI) was fabricated via a novel gel-stretching orientation approach to eliminate TR. In situ synchrotron small angle X-ray scattering during heating clearly showed that the as-prepared thin GS-PI separator exhibits superior mechanical tolerance at high temperature, thus effectively preventing internal short circuit. Meanwhile, the unique nanoporous structure design further blocks chemical crosstalk and the associated exothermic reactions. Accelerating Rate Calorimetry test revealed that the practical 1 Ah LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622)/graphite pouch cell using GS-PI nanoporous separator show a maximum temperature rise (dT/dt max ) of only 3.7 °C s -1 compared to 131.6 °C s -1 in the case of Al 2 O 3 @PE macroporous separator. Furthermore, despite the reduced pore size, the GS-PI separator demonstrates better cycling stability than conventional Al 2 O 3 @PE separator at high temperature without sacrificing specific capacity and rate capability.

25 ENERGY STORAGE↗
NASA NTRS1973

Binary helium dwarf supernovae

The possibility of helium dwarf evolution to sufficiently high densities for violent helium ignition in low-massed binary systems is investigated. During accretional evolution the occurrence of thermonuclear runaway is found to be probable when the dwarf's mass approaches 1 solar mass, and steady-state discontinuous wave propagation considerations indicate that the dwarf is totally incinerated (i.e., its total mass burns to nuclear equilibrium) by a detonation wave. A numerical stellar dynamic investigation, including the full effects of nuclear statistical equilibrium and electron capture indicates total disruption for all reasonable dwarf central densities. For consistency with the cosmic element abundances, the conclusion of total disruption requires a low frequency for helium supernova events, implying that helium ignition in mass-exchanging binaries must occur at the lower densities of the relatively mild helium flash.

Mazurek, T. J.↗
DOE OSTI2020

Toward a high-voltage fast-charging pouch cell with TiO 2 cathode coating and enhanced battery safety

Nickel-rich layered lithium transition metal oxides, LiNi x Co y Mn 1-x-y O 2 , are key cathode materials for high-energy lithium-ion batteries owing to their high specific capacity. However, the commercial deployment of nickel-rich oxides has been hampered by their poor thermostability and insufficient cycle life. In this work full batteries with uncoated and TiO 2 -coated LiNi 0.5 Co 0.2 Mn 0.3 O 2 cathodes and graphite anodes are compared in terms of electrochemical performance and safety behavior. The battery using a TiO 2 -coated LiNi 0.5 Co 0.2 Mn 0.3 O 2 cathode exhibited better cyclic performance at high cutoff voltage. Electrochemical impedance spectroscopy analysis indicated that the TiO 2 -coated LiNi 0.5 Co 0.2 Mn 0.3 O 2 cathode gave the battery a more stable charge transfer resistance. Transmission electron microscopy demonstrated that TiO 2 coating reduced accumulation of the cathode electrolyte interface layer on the particle surface. Time-of-flight secondary ion mass spectrometry demonstrated that TiO 2 coating markedly enhanced the interface stability of the cathode particle and protected the particle from serious etching by the electrolyte. Accelerating rate calorimetry revealed that the trigger temperature of thermal runaway for the battery using TiO 2 -coated LiNi 0.5 Co 0.2 Mn 0.3 O 2 as cathode material was 257 °C, which was higher than that of the battery with the uncoated LiNi 0.5 Co 0.2 Mn 0.3 O 2 cathode (251 °C). In situ X-ray diffraction during heating demonstrated that this enhanced safety can be attributed to the suppressed phase evolution of the coated cathode material.

25 ENERGY STORAGE↗
NASA NTRSDate not supplied

Solid-state battery designed for electric aviation

The demand for higher energy density batteries increases as the demand for portable electronic devices and electric automotive increases, as well as a variety of other applications requiring substantially higher power and energy than attainable with current lithium-ion capabilities which includes the areas of high performance vehicles, military applications, and electric aviation. However, the improvement of energy density is insufficient alone for enabling electric aviation when considering the high flammability and risk of thermal runaway inherent in current state-of-the-art liquid electrolytes. The development of high energy, high power, and safe batteries are required to enable hybrid and fully electric aircraft. Next generation chemistries such as lithium-sulfur provide high theoretical specific energy density suitable for electric aviation without as strict of volumetric requirements observed in the automotive industry. However, due to the phase transition during discharge where sulfur generates a series of soluble intermediate polysulfides, which are lost to the liquid electrolyte, cause detrimental side effects, and severely limit cycle life battery performance is severely reduced. Additionally, the low electrical conductivity of sulfur requires a large amount of inactive carbon dramatically increasing parasitic mass. The dissolution issue make sulfur a desirable candidate to pair with a solid-state electrolyte in order to avoid polysulfide dissolution and shuttling. In addition, inorganic solid-electrolytes have low flammability providing the improved safety required. Combining this chemistry with a solid-state electrolyte provides a path for achieving the energy and safety required for electric aviation. The development of scalable thin solid-state electrolytes paired with lithium-sulfur chemistry will be discussed and how their development will aid in enabling a unique application.

Donald A. Dornbusch↗
DOE OSTI2020

Interaction-Induced Metallicity in a Two-Dimensional Disordered Non-Fermi Liquid

The interplay of interactions and disorder in two-dimensional (2D) electron systems has actively been studied for decades. The paradigmatic approach involves starting with a clean Fermi liquid and perturbing the system with both disorder and interactions. Here, we start instead with a clean non-Fermi liquid near a 2D ferromagnetic quantum critical point and consider the effects of disorder. In contrast with the disordered Fermi liquid, we find that our model does not suffer from runaway flows to strong coupling and the system has a marginally stable fixed point with perfect conduction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2003

Robotic Technology for Exploration of Venus

Venus, the "greenhouse planet", is a scientifically fascinating place. A huge number of important scientific questions remain to be answered. Venus is sometimes called Earth's "sister planet" due to the fact that it is closest to the Earth in distance and similar to Earth in size. Despite its similarity to Earth, however, the climate of Venus is vastly different from Earth's. Understanding the atmosphere, climate, geology, and history of Venus could shed considerable light on our understanding of our own home planet. The surface of Venus is a hostile environment, with an atmosperic pressure of over 90 bar of carbon dioxide, temperature of 450 C, and shrouded in sulphuric-acid clouds. Venus has been explored by a number of missions from Earth, including the Russian Venera missions which landed probes on the surface, the American Pioneer missions which flew both orbiters and atmospheric probes to Venus, the Russian "Vega" mission, which floated balloons in the atmosphere of Venus, and most recently the American Magellan mission which mapped the surface by radar imaging. While these missions have answered basic questions about Venus, telling us the surface temperature and pressure, the elevations and topography of the continents, and the composition of the atmosphere and clouds, scientific mysteries still abound. Venus is of considerable interest to terrestrial atmospheric science, since of all the planets in the solar system, it is the closest analogue to the Earth in terms of atmosphere. Yet Venus' atmosphere is an example of "runaway greenhouse effect." Understanding the history and the dynamics of Venus' atmosphere could tell us considerable insight about the workings of the atmosphere of the Earth. It also has some interest to astrobiology-- could life have existed on Venus in an earlier, pre-greenhouse-effect phase? Could life still be possible in the temperate middle-atmosphere of Venus? The geology of Venus also has interest in the study of Earth. surface robot will require new technologies; specifically, it will require electronics, scientific instruments, power supplies, and mechanical linkages designed to operate at a temperature above 450 C-hot enough to melt the solder on a standard electronic circuit board. This will require devices made from advanced semiconductor materials, such as silicon carbide, or even new approaches, such as micro-vacuum tube electronics. Such materials are now being developed in the laboratory.

Landis, Geoffrey A.↗
DOE OSTI2025

Review on Preprocessing Strategies, Deactivation, Thermal Safety, and Future Perspectives in Lithium-Ion Battery Recycling

The rapid growth in the use of lithium-ion batteries (LIBs) in electric vehicles, consumer electronics, and renewable energy storage has made effective end-of-life management essential. Recycling LIBs is critical not only for resource recovery and environmental protection but also for ensuring safety and economic viability. This review focuses on the preprocessing technologies that precede typical recovery processes, including disassembly, sorting, discharging, electrolyte removal, dismantling, thermal treatment, separation, and flotation. These steps play a foundational role in determining the efficiency, safety, and environmental impact of LIB recycling. LIBs pose substantial fire and explosion risks due to residual charge, flammable electrolytes, and reactive materials. The conditions and successive progression of the exothermic reactions which lead to thermal runaway has been discussed. It also explores secure deactivation techniques such as external circuit discharge, saline immersion, and thermomechanical methods, alongside fire prevention strategies including the use of flame retardants, elimination of oxidants, and reduction of heat generation and accumulation. Challenges and future directions are outlined, highlighting the need for standardized designs, automation, and safer, more sustainable recycling infrastructure. Furthermore, this review is distinguished by its focused analysis of preprocessing and deactivation steps, with particular attention to the thermal safety engineering aspects of LIB recycling.

Battery deactivation↗
NASA NTRS1991

Control of internal and external short circuits in lithium batteries using a composite thermal switch

A composite material has been developed, consisting of a blend of metal and fluorocarbon particles, which behaves as an electronic conductor at room temperature and which abruptly becomes an insulator at a predetermined temperature. This switching behavior results from the difference in thermal expansion coefficients between the conductive and non-conductive portions of the composite. This material was applied as a thin film between the carbon cathode in Li/SOCl2 cells, and the metallic cathode current collector. Using test articles incorporating this feature it was shown that lithium cells externally heated or internally heated during a short circuit lost rate capability and the ability to overheat well below the melting point of lithium (180 C). Thus, during an internal or external cell short circuit, the potential for thermal runaway involving reactions of molten lithium is avoided.

Mcdonald, Robert C.↗
NASA NTRS2004

Robotic Exploration of the Surface and Atmosphere of Venus

Venus, the "greenhouse planet", is a scientifically fascinating place. In many ways it can be considered "Earth's evil twin." A huge number of important scientific questions remain to be answered: 1) Before the runaway greenhouse effect, was early Venus temperate? 2) Did Venus once have an ocean? 3) What causes the geological resurfacing of the planet? 4) Is Venus still geologically active? 5) What is the "snow" on Venus mountaintops? 6) Can we learn about Earth's climate from Venus? 7) Is the atmosphere of Venus suitable for life? To address these and other scientific questions, a robotic mission to study the surface and atmosphere of Venus has been designed. The mission includes both surface robots, designed with an operational lifetime of 90 days on the surface of Venus, and also solar-powered airplanes to probe the middle atmosphere. At 450 Celsius, and with 90 atmospheres of pressure of carbon-dioxide atmosphere, the surface of Venus is a hostile place for operation of a probe. This paper will present the mission design, discuss the technology options for materials, power systems, electronics, and instruments, and present a short summary of the mission.

Landis, Geoffrey A.↗
NASA NTRS2015

Metallography of Battery Resistance Spot Welds

Li-ion cells provide an energy dense solution for systems that require rechargeable electrical power. However, these cells can undergo thermal runaway, the point at which the cell becomes thermally unstable and results in hot gas, flame, electrolyte leakage, and in some cases explosion. The heat and fire associated with this type of event is generally violent and can subsequently cause damage to the surrounding system or present a dangerous risk to the personnel nearby. The space flight environment is especially sensitive to risks particularly when it involves potential for fire within the habitable volume of the International Space Station (ISS). In larger battery packs such as Robonaut 2 (R2), numerous Li-ion cells are placed in parallel-series configurations to obtain the required stack voltage and desired run-time or to meet specific power requirements. This raises a second and less obvious concern for batteries that undergo certification for space flight use: the joining quality at the resistance spot weld of battery cells to component wires/leads and battery tabs, bus bars or other electronic components and assemblies. Resistance spot welds undergo materials evaluation, visual inspection, conductivity (resistivity) testing, destructive peel testing, and metallurgical examination in accordance with applicable NASA Process Specifications. Welded components are cross-sectioned to ensure they are free of cracks or voids open to any exterior surface. Pore and voids contained within the weld zone but not open to an exterior surface, and are not determined to have sharp notch like characteristics, shall be acceptable. Depending on requirements, some battery cells are constructed of aluminum canisters while others are constructed of steel. Process specific weld schedules must be developed and certified for each possible joining combination. The aluminum canisters' positive terminals were particularly difficult to weld due to a bi-metal strip that comes ultrasonically pre-welded by the manufacturer. This was further complicated as the maximum electrode force was limited to low-electrode force to prevent deflection of the aluminum can during welding. Other Li-ion cells are comprised of smaller diameter cylindrical steel canisters which are inherently capable of handling greater force from the electrodes. Allowing higher-electrode forces aids greatly in insuring a consistent resistance network for the weld. Overall lessons learned: developing good jigs is critical to insure the parts and electrodes are planer to one another and the location of the weld sites remains accurate and repeatable; maintaining strict control over materials is critical--materials must be of a specific hardness and chemical composition to insure that a weld schedule is repeatable; accuracy of the die used to stamp the projections is critical and worth the investment; and proper seasoning of the electrodes is critical to producing consistent welds--once the electrodes have been properly seasoned, cleaning/dressing should be avoided until it is absolutely necessary.

Martinez, J. E.↗
NASA NTRS1994

On the X-ray spectrum of Kepler's supernova remnant

We have devised a method to do nonequilibrium ionization calculations on the results of two-dimensional hydrodynamical simulations, based on the algorithm of Hughes & Helfand (1985). We have calculated the ionization structure and X-ray emission for a two-dimensional numerical hydrodynamical simulation for the remnant of Kepler's supernova (SN); the hydrodynamical model was presented in a previous paper. In this model, the progenitor of Kepler's SN is assumed to have been a massive runaway star ejected from the Galactic plane. In its red supergiant stage, its dense stellar wind was distorted and compressed into a bow shock by the ram pressure of the tenuous interstellar medium. The subsequent interaction of the supernova ejecta with this asymmetric circumstellar matter produced a strongly asymmetric supernova remnant (SNR). In this paper, we present calculated X-ray spectra for this hydrodynamical model. A comparison with observations implies a moderate overabundance of Fe in Kepler's SNR (only 50% larger than its cosmic value), in contrast to a large (6 to 15) Fe overabundance derived previously. However, we confirm earlier conclusions that Si and S abundances are 2 to 3 times solar. These modest enhancements of Si, S, and Fe may be attributed either to heavy-element enriched SN ejecta or to the initial chemical abundances of the SN progenitor, which originated in the metal-rich inner Galaxy. The comparison of our models with the observed spectra confirm theoretical predictions that moderate electron heating occurs at strong collisionless shock fronts, with the implied electron/mean temperature ratio of approximately 0.5.

Borkowski, Kazimierz J.↗
NASA NTRS2021

Local Ultrasonic Resonance Spectroscopy of Lithium Metal Batteries for Aerospace Applications

As next-generation aircraft and vehicles continue to develop, so do their associated energy demands. Lithium metal batteries are a leading candidate to fulfill this energy requirement, but these batteries are prone to internal dendrite defects that can lead to catastrophic thermal runaway events. Current battery management systems are capable of mitigating such risks, but are unable to detect such defects until thermal runaway has already begun. Various nondestructive evaluation (NDE) techniques, particularly ultrasonic NDE, can directly monitor internal battery parameters giving them the potential to detect critical defects prior to catastrophic failure. However, most of the current battery NDE research has focused on improved battery state-of-charge (SOC) and stateof- health (SOH) monitoring with little emphasis on critical defect detection. Thus, a measurement technique sensitive to subtle battery defects is needed. In addition, the complex mechanics of ultrasound in porous, thin, multilayered batteries prompt the use of physics-based simulation to guide inspections. In this work, an ultrasonic NDE technique has been developed utilizing frequency domain analysis of local battery resonances to detect the presence of battery defects. This technique is a practical extension of local ultrasonic resonance spectroscopy (LURS) – which previously required non-contact laser ultrasonics – to measurements with piezoelectric contact and immersion scan transducers. To extend the technique to work with piezoelectric transducers, ultrasonic battery measurements were compared to a sans-battery calibration measurement. Then, a linear systems deconvolution was used to eliminate the transfer functions of extraneous factors such as the transducer and electronics, leaving only the frequency-dependent battery reflection coefficient. The LURS technique was first validated on stainless steel and aluminum plates, producing reflection coefficients in line with analytical and numerical finite element modeling (FEM) results. Functioning Li-metal pouch cells were then seeded with lithium chip defects prior to LURS measurements. The presence of these defects is shown to cause a measurable shift in the battery’s through-thickness local resonances. 2D, frequency-domain poroelastic models of ultrasonic propagation in a single-cell lithium metal pouch battery were created and corroborated these findings. Thus, this work has both extended and proven the feasibility of the LURS technique in the detection of local battery defects.

Ultrasound↗
DOE OSTI2020

Surge-Energy and Overvoltage Ruggedness of P-Gate GaN HEMTs

An essential ruggedness of power devices is the capability of safely withstanding the surge energy. The surge ruggedness of the GaN high-electron-mobility transistor (HEMT), a power transistor with no or minimal avalanche capability, has not been fully understood. This article unveils the comprehensive physics associated with the surge-energy withstand process and the failure mechanisms of p-gate GaN HEMTs. Two commercial p-gate GaN HEMTs with Ohmic- and Schottky-type gate contacts are studied. Two circuits are developed to study the device surge ruggedness: an unclamped inductive switching circuit is first used to identify the withstand dynamics and failure mechanisms, and a clamped inductive switching circuit with a controllable parasitic inductance is then designed to mimic the surge energy in converter-like switching events. The p-gate GaN HEMT is found to withstand the surge energy through a resonant energy transfer between the device capacitance and the load/parasitic inductance rather than a resistive energy dissipation as occurred in the avalanche. If the device resonant voltage goes below zero, the device reversely turns on and the inductor is discharged. The device failure occurs at the transient of peak resonant voltage and is limited by the device overvoltage capability rather than the surge energy, dV/dt , or overvoltage duration. Almost no energy is dissipated in the resonant withstand process and the device failure is dominated by an electric field rather than a thermal runaway. Furthermore, these results provide critical understandings on the ruggedness of GaN HEMTs and important references for their qualifications and applications.

42 ENGINEERING↗