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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Effects of Electrical Stimulation on hiPSC-CM Responses to Classic Ion Channel Blockers

Abstract Human induced pluripotent stem cell-derived cardiomyocytes (hiPSC-CMs) hold great potential for personalized cardiac safety prediction, particularly for that of drug-induced proarrhythmia. However, hiPSC-CMs fire spontaneously and the variable beat rates of cardiomyocytes can be a confounding factor that interferes with data interpretation. Controlling beat rates with pacing may reduce batch and assay variations, enable evaluation of rate-dependent drug effects, and facilitate the comparison of results obtained from hiPSC-CMs with those from adult human cardiomyocytes. As electrical stimulation (E-pacing) of hiPSC-CMs has not been validated with high-throughput assays, herein, we compared the responses of hiPSC-CMs exposed with classic cardiac ion channel blockers under spontaneous beating and E-pacing conditions utilizing microelectrode array technology. We found that compared with spontaneously beating hiPSC-CMs, E-pacing: (1) reduced overall assay variabilities, (2) showed limited changes of field potential duration to pacemaker channel block, (3) revealed reverse rate dependence of multiple ion channel blockers on field potential duration, and (4) eliminated the effects of sodium channel block on depolarization spike amplitude and spike slope due to a software error in acquiring depolarization spike at cardiac pacing mode. Microelectrode array optogenetic pacing and current clamp recordings at various stimulation frequencies demonstrated rate-dependent block of sodium channels in hiPSC-CMs as reported in adult cardiomyocytes. In conclusion, pacing enabled more accurate rate- and concentration-dependent drug effect evaluations. Analyzing responses of hiPSC-CMs under both spontaneously beating and rate-controlled conditions may help better assess the effects of test compounds on cardiac electrophysiology and evaluate the value of the hiPSC-CM model.

Wei, Feng↗
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 OSTI2023

The Q weak high performance LH 2 target

A high-power liquid hydrogen target was built for the Jefferson Lab Q weak experiment, which measured the tiny parity-violating asymmetry in $\vec{e}$ p scattering at an incident energy of 1.16 GeV, and a Q 2 = 0.025 GeV 2 . To achieve the luminosity of 1.7 x 10 39 cm -2 s -1 , a 34.5 cm- long target was used with a beam current of 180 μA. The ionization energy-loss deposited by the beam in the target was 2.1 kW. The target temperature was controlled to within ±0.02 K and the target noise (density fluctuations) near the experiment's beam helicity- reversal rate of 960 Hz was only 53 ppm. The 58 liquid liter target achieved a head of 11.4 m (7.6 kPa) and a mass flow of 1.2 ± 0.3 kg/s (corresponding to a volume flow of 17.4 ± 3.8 l/s) at the nominal 29 Hz rotation frequency of the recirculating centrifugal pump. We describe aspects of the design, operation, and performance of this target, the highest power LH2 target ever used in an electron scattering experiment to date.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Upcycling Polyethylene Waste to Advanced Carbon Materials for Energy Storage Applications

Polyethylene is notoriously difficult to upcycle because it decomposes into light gases at approximately 350-400 °C which prevents processing it at higher temperatures to convert it into high-value carbon materials, such as graphene or graphite. We address this challenge by using an air-based, thermo-oxidation process, which heats polyethylene (PE) just below the decomposition point to initiate oxidation and cross-linking of PE alkyl chains. These molecular transformations allow PE to be further graphenized or graphitized at higher temperatures without decomposing. The PE-derived graphene has a specific surface area up to 1,800 m 2/g and Raman ID/IG ratio of 0.85, which enables it to be used as an electrode material for a symmetric supercapacitor with the 1 M H2SO4 electrolyte. The PE-derived graphene material has a comparable electrochemical capacitive performance, such as power density, specific capacitance, and long cycle stability, to the commercial state of art porous carbon electrode. The stabilized PE could also be converted into highly crystalline flake graphite via low-temperature catalytic graphitization. The PE-derived graphite is used for the lithium-ion battery anode, which showed comparable electrochemical battery performance, such as reversible rate performance and long-term cyclic stability, to the current use battery-grade graphite, thus providing a scalable method to upcycle PE plastic waste into high-value carbon material.

Gao, Yuan↗
NASA NTRS1982

Kinetics of the Humid Aging of Magnetic Recording Tape

The kinetics of the hydrolysis of polyester urethane binders of magnetic recording tape is described. Kinetic data were generated from measurements of acetone-extractable hydrolyzed binder products versus time for various humidity-temperature environments. These data can be described by a linear, single product, reversible rate equation. This equation, coupled with measurements on the effect of hydrolysis on recorded tape performance, is used to predict proper environmental storage conditions for magnetic tape.

Bertram, H. N.↗
NASA NTRS1983

Chlorine nitrate - The sole product of the ClO + NO2 + M recombination

A laser operating at 266 nm is used to photolyze the product of the ClO + NO2 + M reaction, and the yield of Cl atoms, measured by resonance fluorescence, is found to be identical with that from equivalent concentrations of ClONO2. This is interpreted as a strong indication that no other isomers are formed in the recombination reaction. Evidence for isomers is surveyed, and the apparent forward-and-reverse-rate constant discrepancy is explained as a probable uncertainty in the thermochemistry.

Margitan, J. J.↗
NASA NTRS1991

Headphone localization of speech stimuli

Recently, three dimensional acoustic display systems have been developed that synthesize virtual sound sources over headphones based on filtering by Head-Related Transfer Functions (HRTFs), the direction-dependent spectral changes caused primarily by the outer ears. Here, 11 inexperienced subjects judged the apparent spatial location of headphone-presented speech stimuli filtered with non-individualized HRTFs. About half of the subjects 'pulled' their judgements toward either the median or the lateral-vertical planes, and estimates were almost always elevated. Individual differences were pronounced for the distance judgements; 15 to 46 percent of stimuli were heard inside the head with the shortest estimates near the median plane. The results infer that most listeners can obtain useful azimuth information from speech stimuli filtered by nonindividualized RTFs. Measurements of localization error and reversal rates are comparable with a previous study that used broadband noise stimuli.

Begault, Durand R.↗
NASA NTRS1993

Headphone localization of speech

Three-dimensional acoustic display systems have recently been developed that synthesize virtual sound sources over headphones based on filtering by head-related transfer functions (HRTFs), the direction-dependent spectral changes caused primarily by the pinnae. In this study, 11 inexperienced subjects judged the apparent spatial location of headphone-presented speech stimuli filtered with nonindividualized HRTFs. About half of the subjects 'pulled' their judgments toward either the median or the lateral-vertical planes, and estimates were almost always elevated. Individual differences were pronounced for the distance judgments; 15 to 46 percent of stimuli were heard inside the head, with the shortest estimates near the median plane. The results suggest that most listeners can obtain useful azimuth information from speech stimuli filtered by nonindividualized HRTFs. Measurements of localization error and reversal rates are comparable with a previous study that used broadband noise stimuli.

Begault, Durand R.↗
NASA NTRS2001

Direct comparison of the impact of head tracking, reverberation, and individualized head-related transfer functions on the spatial perception of a virtual speech source

A study of sound localization performance was conducted using headphone-delivered virtual speech stimuli, rendered via HRTF-based acoustic auralization software and hardware, and blocked-meatus HRTF measurements. The independent variables were chosen to evaluate commonly held assumptions in the literature regarding improved localization: inclusion of head tracking, individualized HRTFs, and early and diffuse reflections. Significant effects were found for azimuth and elevation error, reversal rates, and externalization.

NASA Discipline Space Human Factors↗
NASA NTRS1988

Magnetic reversal spurts: Rain gauges for comet showers

Abrupt increases in the rate of magnetic reversals (magnetic reversal spurts) were first studied by many others. They hypothesized that spurts result from increased turbulence in the earth's core dynamo during episodes of intense bolide bombardment of the earth. Mechanisms for creating episodes of intense bombardment of the earth involve gravitational perturbation of the Oort cloud of comets, either by a hidden planet, a solar companion, or massive matter in the galactic plane. Herein, the time variation in reversal rate is analyzed using methods of statistical density estimation. A smooth, continuous estimate of reversal rate is obtained using an adaptive kernel method, in which the kernel width is adjusted as a function of reversal rate. The estimates near the ends of the data series (at 165 my ago and the present) are obtained by extending the data by reflection. The results show that the reversal spurts are not associated demonstrably with extinctions or well-dated impacts. If the spurts do record episodes of intense bombardment of the earth, then the mass extinctions do not, in general, occur at times of impacts. Furthermore, the large impact craters seen are not obviously related to the spurts, suggesting that the craters may have been caused by bolides of a different nature and with a different temporal pattern. However, the most simple explanation seems to be that the spurts do not record comet showers, either because the recording mechanism suggested by Muller and Morris is not effective or because comet showers are not triggered in the ways considered by Hut et al.

Lutz, T. M.↗
DOE OSTI2023

Concepts Relevant for the Kinetic Analysis of Reversible Reaction Systems

The net rate of a reversible chemical reaction is the difference between unidirectional rates of traversal along forward and reverse reaction paths. In a multistep reaction sequence, the forward and reverse trajectories, in general, are not the microscopic reverse of one another; rather, each unidirectional route is comprised of distinct rate-controlling steps, intermediates, and transition states. Consequently, traditional descriptors of rate (e.g., reaction orders) do not reflect intrinsic kinetic information but instead conflate unidirectional contributions determined by (i) the microscopic occurrence of forward/reverse reactions (i.e., unidirectional kinetics) and (ii) the reversibility of reaction (i.e., nonequilibrium thermodynamics). This review aims to provide a comprehensive resource of analytical and conceptual tools which deconvolute the contributions of reaction kinetics and thermodynamics to disambiguate unidirectional reaction trajectories and precisely identify rate- and reversibility-controlling molecular species and steps in reversible reaction systems. The extrication of mechanistic and kinetic information from bidirectional reactions is accomplished through equation-based formalisms (e.g., De Donder relations) grounded in principles of thermodynamics and interpreted in the context of theories of chemical kinetics developed in the past 25 years. Here, the aggregate of mathematical formalisms detailed herein is general to thermochemical and electrochemical reactions and encapsulates a diverse body of scientific literature encompassing chemical physics, thermodynamics, chemical kinetics, catalysis, and kinetic modeling.

42 ENGINEERING↗
NASA NTRS2003

Silicon Carbide Diodes Performance Characterization and Comparison With Silicon Devices

Commercially available silicon carbide (SiC) Schottky diodes from different manufacturers were electrically tested and characterized at room temperature. Performed electrical tests include steady state forward and reverse I-V curves, as well as switching transient tests performed with the diodes operating in a hard switch dc-to-dc buck converter. The same tests were performed in current state of the art silicon (Si) and gallium arsenide (GaAs) Schottky and pn junction devices for evaluation and comparison purposes. The SiC devices tested have a voltage rating of 200, 300, and 600 V. The comparison parameters are forward voltage drop at rated current, reverse current at rated voltage and peak reverse recovery currents in the dc to dc converter. Test results show that steady state characteristics of the tested SiC devices are not superior to the best available Si Schottky and ultra fast pn junction devices. Transient tests reveal that the tested SiC Schottky devices exhibit superior transient behavior. This is more evident at the 300 and 600 V rating where SiC Schottky devices showed drastically lower reverse recovery currents than Si ultra fast pn diodes of similar rating.

Lebron-Velilla, Ramon C.↗
DOE OSTI2022

An indirect approach to optimize the reaction rates of thermal NO formation for diesel engines

With stringent emission regulations, it has become more important for modern diesel engine manufacturers to accurately predict engine-out nitrogen oxide (NO x ) emissions across a wide range of operating conditions. Thermal NO is the major source of engine-out NO x in modern diesel engines. For thermal NO formation, several earlier studies have recommended the forward and reverse reaction rate coefficients of the rate-limiting reaction (O + N 2 ⇌ NO + N). However, due to deficiencies in sub-models and inadequacies of reduced chemical mechanisms to represent diesel combustion, these recommended values more often than not need to be adjusted in reduced order combustion models to accurately predict engine-out NO x . Hence, in this work a systematic and computationally efficient approach has been proposed to streamline the process of determining the optimum reaction rate coefficients. Here, to develop the optimization approach, four different production diesel engines with different operating conditions in terms of speed, load, and exhaust-gas recirculation have been considered. Numerical simulations have been performed using a detailed zero-dimensional velocity-composition-frequency transported probability density function (0D-VCF-tPDF) model that uses hundreds of notional particles to capture in-cylinder stratification. Four different combinations of hydrocarbon and NO x chemical mechanisms were used to represent chemistry. It was found that for the rate-limiting reaction, the pre-exponent factors (A f1 , A r1 ) and activation energies (E A,f1 , E A,r1 ) of the forward and reverse reaction rates follow a linear band in A f1 - E A,f1 and A r1 - E A,r1 space where predicted engine-out NO x match the measured values closely. By encompassing such bands from different engines and considering constraints on activation energies, a reduced search domain of pre-exponent factors and activation energies was constructed that is expected to be applicable to any diesel engine. Eventually, computationally efficient three-line and one-line search approaches were proposed to determine the optimum values of the pre-exponent factors and activation energies that led to a minimum error between measured and predicted engine-out NO x . Finally, these three-line and one-line NO x optimization approaches were applied to a fifth production diesel engine for which the 0D-VCF-tPDF model showed a very good predictive performance in terms of predicting peak pressure, 50% burn rate, and engine-out NO x when compared to measured and 3D-CFD values.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Thermodynamic Band Gap Model for Photoinduced Phase Segregation in Mixed-Halide Perovskites

Provided is a comprehensive description of a band gap thermodynamic model, which predicts and explains key features of photosegregation in lead-based, mixed-halide perovskites. The model gives a prescription for illustrating halide migration driven by photocarrier energies. Where possible, model predictions are compared with experimental results. Free energy derivations are provided for three assumptions: (1) halide mixing in the dark, (2) a fixed number of photogenerated carriers funneling to and localizing in low band gap inclusions of the alloy, and (3) the statistical occupancy of said inclusions from a bath of thermalized photocarriers in the parent material. Model predictions include excitation intensity (I exc )-dependent terminal halide stoichiometries (x terminal ), temperature-independent x terminal , excitation intensity thresholds (I exc,threshold ) below which photosegregation is suppressed, and reduced segregation in nanocrystals as compared to thin films. Here, the model also offers insight into kinetically manipulating photosegregation rates via control of underlying mediators and rationalizes asymmetries in forward and reverse photosegregation rate constants/activation energies. What emerges is a cohesive framework for understanding ubiquitous photosegregation in mixed-halide perovskites and a rational basis by which to manage the phenomenon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

Improved Short-Circuit Protection for Power Cells in Series

A scheme for protection against short circuits has been devised for series strings of lithium electrochemical cells that contain built-in short-circuit protection devices, which go into a high-resistance, current-limiting state when heated by excessive current. If cells are simply connected in a long series string to obtain a high voltage and a short circuit occurs, whichever short-circuit protection device trips first is exposed to nearly the full string voltage, which, typically, is large enough to damage the device. Depending on the specific cell design, the damage can defeat the protective function, cause a dangerous internal short circuit in the affected cell, and/or cascade to other cells. In the present scheme, reverse diodes rated at a suitably high current are connected across short series sub-strings, the lengths of which are chosen so that when a short-circuit protection device is tripped, the voltage across it does not exceed its rated voltage. This scheme preserves the resetting properties of the protective devices. It provides for bypassing of cells that fail open and limits cell reversal, though not as well as does the more-expensive scheme of connecting a diode across every cell.

Davies, Francis↗
NASA NTRS1988

Thrust-reverser flow investigation on a twin-engine transport

An investigation was conducted in the NASA Langley 14 x 22 foot Subsonic Tunnel to study the effects of engine thrust reversing on an aft-mounted twin-engine transport and to develop effective testing techniques. Testing was done over a fixed and a moving-belt ground plane and over a pressure instrumented ground board. Free-stream dynamic pressure was set at values up to 12.2 psf, which corresponded to a maximum Reynolds number based on the mean aerodynamic chord of 765,000. The thrust reversers examined included cascade, target and four-door configurations. The investigation focused on the range of free-stream velocities and engine thrust-reverser flow rates that would be typical for landing ground-roll conditions. Flow visualization techniques were investigated, and the use of water or smoke injected into the reverser flow proved effective to determine the forward progression of the reversed flow and reingestion limits. When testing over a moving-belt ground plane, as opposed to a fixed ground plane, forward penetration of the reversed flow was reduced. The use of a pressure-instrumented ground board enabled reversed flow ground velocities to be obtained, and it provided a means by which to identify the reversed flow impingement point on the ground.

Gatlin, Gregory M.↗
DOE OSTI2020

Kinetics of the benzyl + HO 2 and benzoxyl + OH barrierless association reactions: fate of the benzyl hydroperoxide adduct under combustion and atmospheric conditions

Radical–radical association reactions are challenging to address theoretically due to difficulties finding the bottleneck that variationally minimizes the reactive flux. For this purpose, the variable reaction coordinate (VRC) formulation of the variational transition state theory (VTST) represents an appropriate tool. Here, we revisited the kinetics of two radical–radical association reactions of importance in combustion modelling and poly-aromatic hydrocarbon (PAH) chemistry by performing VRC calculations: benzyl + HO 2 and benzoxyl + OH, both forming the adduct benzyl hydroperoxide. Our calculated rate constants are significantly lower than those previously reported based on VTST calculations, which results from a more efficient minimization of the reactive flux through the bottleneck achieved by the VRC formulation. Both reactions show different trends in the variation of their rate constants with temperature. We observed that if the pair of single occupied molecular orbitals (SOMOs) of the associating radicals show a similar nature, i.e. similar character, and thereby a small energy gap, a highly stabilized transition state structure is formed as the result of a very efficient SOMO–SOMO overlap, which may cancel out the free energy bottleneck for the formation of the adduct and result in large rate constants with a negative temperature dependence. This is the case of the benzoxyl and OH radical pair, whose SOMOs show O 2p nature with an energy gap of 20.2 kcal mol –1 . On the other hand, the benzyl and HO 2 radical pair shows lower rate constants with a positive temperature dependence due to the larger difference between both SOMOs (a 28.9 kcal mol –1 energy gap) as a consequence of the contribution of the multiple resonance structures of the benzyl radical. The reverse dissociation rate constants were also calculated using multi-structural torsional anharmonicity partition functions, which were not included in previous work, and the results show a much slower dissociation of benzyl hydroperoxide. Our work may help to improve kinetic models of interest in combustion and PAH formation, as well as to gain further understanding of radical–radical association reactions, which are ubiquitous in different environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗