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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Preliminary Study of Relationships between Stability and Control Characteristics and Affordability for High-Performance Aircraft

This paper describes a study that is being done as part of the Methods for Affordable Design (MAD) program within the National Aeronautics and Space Administration (NASA), for which the goal is to develop design methods and information that contribute to reductions in the aircraft development cycle time while increasing design confidence throughout the design cycle. The product of the study will be a database of information that relates key stability and control parameters to affordability considerations such as air combat exchange ratio, safety of flight, and probability of loss of the aircraft or pilot. The overall background and methodology are described, and preliminary results are shown for the first phase of the study to evaluate characteristics in the longitudinal axis. For these preliminary results a simplified analytical model of the aircraft response to uncommanded nose-up pitching moments was developed and used to characterize the requirements for recoveries to controlled flight conditions and to evaluate some parameters that affect the survivability of the aircraft and the pilot.

High performance aircraft↗
DOE OSTI2024

Battery detectives: Uncovering cathode impact on anode-free Li cell performance by operando NMR

Here, Anode-free Li-ion batteries could attain new levels of energy density, but challenges remain in controlling deposition and managing degradation. In this issue of Chem, Kwon et al. probe Li metal growth using operando NMR to unravel how cathode materials impact performance and establish criteria for the high-energy/low-cost design tradeoff.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Towards large-scale quantum optimization solvers with few qubits

Quantum computers hold the promise of more efficient combinatorial optimization solvers, which could be game-changing for a broad range of applications. However, a bottleneck for materializing such advantages is that, in order to challenge classical algorithms in practice, mainstream approaches require a number of qubits prohibitively large for near-term hardware. Here we introduce a variational solver for MaxCut problems over $m={{\mathcal{O}}}({n}^{k})$ binary variables using only n qubits, with tunable k > 1. The number of parameters and circuit depth display mild linear and sublinear scalings in m , respectively. Moreover, we analytically prove that the specific qubit-efficient encoding brings in a super-polynomial mitigation of barren plateaus as a built-in feature. Altogether, this leads to high quantum-solver performances. For instance, for m = 7000, numerical simulations produce solutions competitive in quality with state-of-the-art classical solvers. In turn, for m = 2000, experiments with n = 17 trapped-ion qubits feature MaxCut approximation ratios estimated to be beyond the hardness threshold 0.941. Our findings offer an interesting heuristics for quantum-inspired solvers as well as a promising route towards solving commercially-relevant problems on near-term quantum devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Platinum-complexed phosphorous-doped carbon nitride for electrocatalytic hydrogen evolution

Sustainable hydrogen gas production is critical for future fuel infrastructure. Here, a series of phosphorous-doped carbon nitride materials were synthesized by thermal annealing of urea and ammonium hexafluorophosphate, and platinum was atomically dispersed within the structural scaffold by thermal refluxing with Zeise's salt forming Pt–N/P/Cl coordination interactions, as manifested in X-ray photoelectron and absorption spectroscopic measurements. The resulting materials were found to exhibit markedly enhanced electrocatalytic activity towards the hydrogen evolution reaction (HER) in acidic media, as compared to the P-free counterpart. This was accounted for by P doping that led to a significantly improved charge carrier density within C 3 N 4 , and the sample with the optimal P content showed an overpotential of only –22 mV to reach the current density of 10 mA cm –2 , lower than that of commercial Pt/C (–26 mV), and a mass activity (7.1 mA μg –1 Pt at –70 mV vs. reversible hydrogen electrode) nearly triple that of the latter. Finally, results from the present study highlight the significance of P doping in the manipulation of the electronic structures of metal/carbon nitride nanocomposites for high-performance HER electrocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A comparison between the one- and two-step spin-orbit coupling approaches based on the ab initio Density Matrix Renormalization Group

The efficient and reliable treatment of both spin-orbit coupling (SOC) and electron correlation is essential for understanding f-element chemistry. Here, we analyze two approaches to the problem, the one-step approach where both effects are treated simultaneously, and the two-step state interaction approach. We report an implementation of the ab initio density matrix renormalization group(DMRG) with a one-step treatment of the SOC effect which can be compared to prior two-step treatments on an equal footing. Using a dysprosium octahedral complex and bridged dimer as benchmark systems, we identify characteristics of problems where the one-step approach is beneficial for obtaining the low-energy spectrum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Resilience Analytics for Interdependent Power and Water Distribution Systems

The occurrence of large-scale outages in power distribution systems (PDSs) caused, for instance, by extreme weather events has raised concerns on the cascading impact of the power outages on the resilience of other critical infrastructures, including water distribution systems (WDSs), whose healthy operation highly relies on the availability of power from PDSs. Here, this paper proposes an analytics model for quantifying the interdependence between the resilience of power and water distribution systems. The proposed model first performs spatio-temporal outage analysis on the PDS and WDS to determine the PDS power serving capability and the resulting cascading impact on the WDS water serving capability during the occurrence of disruptions. The resilience interdependence is then determined by a proposed set of six metrics calculated using the power and water serving capability profiles, which trace and quantify the cascading impacts of power outages in the operation of WDSs during the degradation and recovery stages. The proposed analytics model is implemented on the IEEE 33-bus power distribution system supplying power for pumping stations of a 15-node test WDS, considering multiple cases of water storage capacity, single and multiple outage scenarios, and availability of distributed generation. The numerical results demonstrate that the proposed metrics track the temporal and spatial interdependence between the resilience of power and water distribution systems, providing a mechanism to identify weak spots, and assess options to enhance the resilience of the critical water infrastructure.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Efficient Synthesis of High-Performance Anion Exchange Membranes by Applying Clickable Tetrakis(dialkylamino)phosphonium Cations

Tetrakis(dialkylamino)phosphonium (TKDAAP) compounds exhibit extraordinary base resistance, a prerequisite feature for high-performance anion exchange membranes (AEMs). It is, however, challenging to synthesize a TKDAAP compound with reactive functionality that can be used to link the cation to a polymer backbone. In this study, two TKDAAP compounds with alkyne functionality were synthesized and incorporated into an azide-modified SBS triblock copolymer backbone via Cu(I)-catalyzed alkyne–azide cycloaddition (CuAAC) “click” chemistry. The properties of the resulting AEMs were characterized. It was found that (1) the triazole linker between the cation and the polymer backbone was stable under alkaline conditions; (2) varying the substituents of TKDAAP compounds could dramatically alter the stability; and (3) increasing the hydrophilicity of the AEM was an efficient way to enhance its ionic conductivity. Using clickable TKDAAP compounds makes it easy to combine various cations into polymer backbones with adjustable cation content, thus potentially leading to an efficient way to screen a wide variety of polyelectrolyte structures to identify the most promising candidates for high-performance AEMs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Effects of overlaps, stitches, and patches on multilayer insulation.

The effects of spacecraft installation-type discontinuities on aluminized Mylar multilayer insulation have been measured using an electrically heated cylindrical calorimeter. The experimental results have been reproducible within plus or minus 10% or better for identical blankets and less than plus or minus 5% for the same blanket. Good blanket performance can be obtained using short interleaving for joints, eliminating stitched seams, and using small patches, particularly over the hot side of stitches. The heat loss through stitching is excessive but highly localized. Analytical models matched to thermocouple test results are presented. The manner in which radiation and conduction participate in heat transfer adjacent to discontinuities is indicated. High lateral heat transfer is also established as an important phenomenon in the vicinity of a discontinuity.

Stimpson, L. D.↗
NASA NTRS1988

Aerodynamic maneuvering hypersonic flight mechanics

The emergence of current high-interest mission involving aeromaneuvering hypersonic flight has given rise to the corresponding need for preliminary design and performance analyses of such vehicles. This need in turn has motivated efforts to develop simplified analytical and computational methods for parametric analysis of maneuvering hypersonic flight under conditions appropriate to the mission involved. The effort included a review of different formulations of the general equations of motion, their associated coordinate frames, various simplifications of the equations, and previously achieved analytical solutions. This study sought to both extend previous solution methods and to develop new ones. In addition, evaluation of the literature and developing a systematic perspective on the knowledge it represents proved to be a major portion of the effort.

Desautel, Dick↗
NASA NTRS1991

Self-consistent analysis of lattice-matched and pseudomorphic quantum-well emission transistors

A self-consistent analysis of the quantum-well emission transistor (QWET) is presented allowing an exact calculation of the device quantum properties. Poisson's and Schroedinger's equation are solved numerically using a finite-difference method on a self-consistent basis. Pseudomorphic AlGaAs/InGaAs designs with 15-20 percent excess In are suggested for improving the device performance. Design with doping in various parts of the QWET are also studied. This analysis reveals that the device performance is less optimistic than previously predicted by analytic approaches. By introducing the pseudomorphic channel principle, while maintaining a reasonably low Al content for the gate and collector layers, it is, however, possible to obtain satisfactory performance. Optimum pseudomorphic designs showed high current driving capability (200,000 A/sq cm), high transconductance (3S/mm), and small intrinsic delay time (2 ps).

Hong, Kyushik↗
NASA NTRS1993

Verification of a two-dimensional infiltration model for the resin transfer molding process

A two-dimensional finite element model for the infiltration of a dry textile preform by an injected resin was verified. The model, which is based on the finite element/control volume technique, determines the total infiltration time and the pressure increase at the mold inlet associated with the RTM process. Important input data for the model are the compaction and permeability behavior of the preform along with the kinetic and rheological behavior of the resin. The compaction behavior for several textile preforms was determined by experimental methods. A power law regression model was used to relate fiber volume fraction to the applied compaction pressure. Results showed a large increase in fiber volume fraction with the initial application of pressure. However, as the maximum fiber volume fraction was approached, the amount of compaction pressure required to decrease the porosity of the preform rapidly increased. Similarly, a power law regression model was used to relate permeability to the fiber volume fraction of the preform. Two methods were used to measure the permeability of the textile preform. The first, known as the steady state method, measures the permeability of a saturated preform under constant flow rate conditions. The second, denoted the advancing front method, determines the permeability of a dry preform to an infiltrating fluid. Water, corn oil, and an epoxy resin, Epon 815, were used to determine the effect of fluid type and viscosity on the steady state permeability behavior of the preform. Permeability values measured with the different fluids showed that fluid viscosity had no influence on the permeability behavior of 162 E-glass and TTI IM7/8HS preforms. Permeabilities measured from steady state and advancing front experiments for the warp direction of 162 E-glass fabric were similar. This behavior was noticed for tests conducted with corn oil and Epon 815. Comparable behavior was observed for the warp direction of the TTI IM7/8HS preform and corn oil. Mold filling and flow visualization experiments were performed to verify the analytical computer model. Frequency dependent electromagnetic sensors were used to monitor the resin flow front as a function of time. For the flow visualization tests, a video camera and high resolution tape recorder were used to record the experimental flow fronts. Comparisons between experimental and model predicted flow fronts agreed well for all tests. For the mold filling tests conducted at constant flow rate injection, the model was able to accurately predict the pressure increase at the mold inlet during the infiltration process. A kinetics model developed to predict the degree of cure as a function of time for the injected resin accurately calculated the increase in the degree of cure during the subsequent cure cycle.

Hammond, Vincent H.↗
NASA NTRS2000

Noise Reduction Potential of Large, Over-the-Wing Mounted, Advanced Turbofan Engines

As we look to the future, increasingly stringent civilian aviation noise regulations will require the design and manufacture of extremely quiet commercial aircraft. Indeed, the noise goal for NASA's Aeronautics Enterprise calls for technologies that will help to provide a 20 EPNdB reduction relative to today's levels by the year 2022. Further, the large fan diameters of modem, increasingly higher bypass ratio engines pose a significant packaging and aircraft installation challenge. One design approach that addresses both of these challenges is to mount the engines above the wing. In addition to allowing the performance trend towards large, ultra high bypass ratio cycles to continue, this over-the-wing design is believed to offer noise shielding benefits to observers on the ground. This paper describes the analytical certification noise predictions of a notional, long haul, commercial quadjet transport with advanced, high bypass engines mounted above the wing.

Berton, Jeffrey J.↗
DOE OSTI2020

Dual-atom Ag 2 /graphene catalyst for efficient electroreduction of CO 2 to CO

Electrochemical reduction of CO 2 into value-added carbon compounds offers a promising strategy to mitigate global warming, but present challenges for chemistry due to the poor selectivity and stability of electrocatalysts. In this work, we report a dual-atom Ag 2 /graphene catalyst featuring well-defined AgN 3 -AgN 3 active site for CO 2 electrochemical reduction. This dual-atom catalyst can drive CO 2 reduction reaction at a potential as high as -0.25 V, and exhibit excellent CO Faradic efficiency up to 93.4 % with a current density of 11.87 mA cm -2 at -0.7 V and long-term stability, far surpassing the single-atom Ag 1 /graphene and the traditional silver nanoparticle catalysts. Finally, DFT calculations reveal that the dual-atom Ag site lowers the barrier for the formation of *COOH by stabilizing the *CO 2 through the concomitant interactions with the C and an O atom of CO 2 , resulting in excellent catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2015

New Insights into Amino Acid Preservation in the Early Oceans Using Modern Analytical Techniques

Protein- and non-protein-amino acids likely occupied the oceans at the time of the origin and evolution of life. Primordial soup-, hydrothermal vent-, and meteoritic-processes likely contributed to this early chemical inventory. Prebiotic synthesis and carbonaceous meteorite studies suggest that non-protein amino acids were likely more abundant than their protein-counterparts. Amino acid preservation before abiotic and biotic destruction is key to biomarker availability in paleoenvironments and remains an important uncertainty. To constrain primitive amino acid lifetimes, a 1992 archived seawater/beach sand mixture was spiked with D,L-alanine, D,L-valine (Val), alpha-aminoisobutyric acid (alpha-AIB), D,L-isovaline (Iva), and glycine (Gly). Analysis by high performance liquid chromatography with fluorescence detection (HPLC-FD) showed that only D-Val and non-protein amino acids were abundant after 2250 days. The mixture was re-analyzed in 2012 using HPLC-FD and a triple quadrupole mass spectrometer (QqQ-MS). The analytical results 20 years after the inception of the experiment were strikingly similar to those after 2250 days. To confirm that viable microorganisms were still present, the mixture was re-spiked with Gly in 2012. Aliquots were collected immediately after spiking, and at 5- and 9-month intervals thereafter. Final HPLC-FD/QqQ-MS analyses were performed in 2014. The 2014 analyses revealed that only alpha-AIB, D,L-Iva, and D-Val remained abundant. The disappearance of Gly indicated that microorganisms still lived in the mixture and were capable of consuming protein amino acids. These findings demonstrate that non-protein amino acids are minimally impacted by biological degradation and thus have very long lifetimes under these conditions. Primitive non-protein amino acids from terrestrial synthesis, or meteorite in-fall, likely experienced great-er preservation than protein amino acids in paleo-oceanic environments. Such robust molecules may have reached a steady state concentration dependent on ocean circulation through hydrothermal systems and synthetic input processes. We are presently trying to estimate this concentration.

Parker, Eric T.↗
DOE OSTI2022

NIR Dataset and Models (Near-Infrared Spectroscopy Calibration Dataset for Butanediol Fermentation and Multivariate Calibration Models) [SWR-22-60]

2,3-butanediol (2,3-BDO) is an economically important platform chemical that can be used in a variety of chemical feedstocks, liquid fuels, and biosynthetic building blocks. While 2,3-BDO can be efficiently produced by fermentation, the fermentation requires continuous monitoring and control to maximize 2,3-BDO yields and minimize inhibitory coproducts. Because of the time required for sampling and at-line measurement of fermentation samples with high pressure liquid chromatography (HPLC), the ability for operators to perform real-time modification to fermentation conditions is limited. To overcome this challenge, researchers from the National Renewable Energy Laboratory (NREL) have developed a calibration model which can predict the concentration of several analytes in real-time using near-infrared (NIR) spectra of the filtered fermentation broth. While significantly reducing the need for off-line sampling, NREL expects this technology to play a critical role in maximizing 2,3-BDO production. 2,3-butanediol (2,3-BDO) is a useful chemical platform that can be used to create a variety of products. For instance, 2,3-BDO can be (1) dehydrated and converted into methyl ethyl ketone, a liquid fuel additive or (2) deoxydehydrated into 1,3-butadiene for synthetic rubber, which can also be oligomerized in high yields to gasoline, diesel, and jet fuel. In order to maximize 2,3-BDO production, frequent measurement of fermentation samples is needed, as small changes in oxygen concentration can drive the fermentation to undesired products. For example, oxygen-deficient conditions result in glycerol production, while excess oxygen concentrations result in acetoin production. This results in the need for measuring dissolved oxygen, glucose, and xylose concentrations in order to optimize the aeration rate of the fermentation. Traditional monitoring methods occurs off-line and can take up to 30 minutes per sample. With multiple fermenters and high-pressure liquid chromatography (HPLC) injectors, resulting in the need for multiple samples, the sampling process can take hours to complete. NREL’s calibration model can predict the glucose, xylose, 2,3-BDO, acetoin, and glycerol concentrations from NIR spectra of filtered fermentation liquor samples. Using a partial least-squares (PLS) calibration model, NREL’s model can monitor the concentration of these analytes during subsequent fermentations at bench- and pilot-scale, demonstrating the utility of NIR spectroscopy combined with chemometrics for real-time, at-line monitoring of 2,3-BDO fermentations.

Wolfrum, Edward↗
NASA NTRS1999

Development, Analysis and Testing of the High Speed Research Flexible Semispan Model

This report presents the work performed by Lockheed Martin Engineering and Sciences (LMES) in support of the High Speed Research (HSR) Flexible Semispan Model (FSM) wind-tunnel test. The test was conducted in order to assess the aerodynamic and aeroelastic character of a flexible high speed civil transport wing. Data was acquired for the purpose of code validation and trend evaluation for this type of wing. The report describes a number of activities in preparing for and conducting the wind-tunnel test. These included coordination of the design and fabrication, development of analytical models, analysis/hardware correlation, performance of laboratory tests, monitoring of model safety issues, and wind-tunnel data acquisition and reduction. Descriptions and relevant evaluations associated with the pretest data are given in sections 1 through 6, followed by pre- and post-test flutter analysis in section 7, and the results of the aerodynamics/loads test in section 8. Finally, section 9 provides some recommendations based on lessons learned throughout the FSM program.

Schuster, David M.↗
NASA NTRS1993

Design of a high density cold gas attitude control system

A comparison of the experimental results of a nitrous oxide cold gas thruster with the predicted performance from a numerical simulation of nozzle operations is discussed. Tests were conducted in a vacuum chamber to verify analytical predictions of both nitrogen and nitrous oxide. Preliminary results indicate an Isp for N2O of 61, and an Isp of 69 for N2. Based on the results of this research, parameters are presented for a nitrous oxide-based reaction control system for a small spacecraft currently under development.

Hall, Sarah E.↗
DOE OSTI2024

Precision Structure Engineering of High-Entropy Oxides under Ambient Conditions

High-entropy oxides (HEOs) have unveiled a unique frontier in the realm of heterogeneous catalysis, taking advantage of the entropic effect and increased complexities to deliver ultrahigh stability and large tuning capability. However, current HEO synthesis mainly relies on high-temperature annealing approaches affording HEOs possessing no or low surface area, inferior active site exposure efficiency, and low controllability over the structure tuning. The grand challenge lies in producing high-quality HEO catalysts with high active site utilization efficiency, which relies on precision structure engineering, preferably under mild conditions. In this work, an in situ lattice engineering approach was developed to afford a supported HEO catalyst under ambient conditions. The HEO compositions (CuCoFeNiMnO x ) were uniformly integrated into the lattice of CeO 2 driven by cavitation-induced nucleation being generated via ultrasonication. The as-afforded catalysts were featured by high surface area, atomically dispersed HEO compositions, active redox properties, abundant oxygen vacancies (O V ), antiagglomeration, and high phase stability under harsh conditions. Compared with the ex situ introduction of HEO on the surface, the in situ method provides dual benefits to maintain the dispersity of HEO via entropic and lattice confinement effects. Engineering the complex HEO within the lattice of fluorite-structured CeO 2 also yields abundant defects (e.g., O V ) and active metal sites with strong reducing properties (e.g., Ce 3+ and Cu + ), which greatly improves the activity of the lattice oxygen and tunability of the adsorption behavior of the guest molecules, especially in the presence of impurities (e.g., water and propane). The catalytic performance of the supported HEO catalyst in oxidative procedures surpasses the pure dense phase HEO as well as the ex situ-generated catalysts. Further, the synthesis approach being developed in this work, together with the fundamental understanding in structure evolution and reaction mechanism, showcases a facile pathway under ambient conditions to generate stable catalysts capable of maintaining structural robustness in high-temperature conditions while delivering enhanced catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗