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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

SAF Combustion & Soot Processes [Slides]

The atomization, mixing, combustion and emissions characteristics of aviation fuels were measured using a novel approach based on a non-continuous injection scheme called the single-hole atomizer (SHA). High-speed microscopy revealed differences between fuels in terms of evaporation and mixing regimes over conditions relevant to modern and next generation aero-engine combustors. Measurements of liquid and vapor penetration, mixing fields, combustion and emissions metrics (ignition delay, lift-off length, PAH formation, soot mass) highlighted the effects of fuels and combustor conditions. The experimental results are being leveraged to adjust and validate chemical and CFD models. Detailed analysis of sampled soot showed subtle differences in soot morphology between fuels. The results revealed the presence of contaminants potentially affecting surface chemistry and the nucleation propensity of water droplets on particles. Chemical mechanisms for NJFCP A-2, C-1 and C-4 showed good performance over a large parameter space. Spray breakup at relight conditions is vastly different from the atomization observed at high pressure. CFD simulations of the SHA target conditions confirmed the good behavior of the C-1 kinetic mechanism. The simulations support the strong relationship between low and high temperature reactions. New altitude chamber facility to enable detailed characterization of the heterogeneous nucleation process of water on aerosol particles.

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

Model development for flash boiling spray and validations with isooctane, hexane, ethanol and their binary mixtures

The objective of this study is to develop a comprehensive model for spray atomization under the consideration of flash boiling, which includes nucleation, bubble growth, and droplet breakup. Although flash boiling has been previously studied, there is still no well-established analytical and numerical model of their mechanisms, or general guidelines on the implementation of this atomization strategy. In this study, detailed formulations are elaborated for the unified spray atomization model under both non-flash and flash boiling conditions. Next, the model was implemented into CFD software and 3-D simulations were performed for model validations. Two fuel blends are tested: ethanol-isooctane blends and hexane-isooctane blends. Simulation results were compared with the experimental measurements conducted using two methodologies, DBI (Diffuse Backlight Imaging) system for spray images captured by a high-speed camera, and a PDA (Phase Doppler Anemometry) system for droplet size measurement during the spray injection process. It was found that the current flash boiling model can accurately capture the spray characteristics under different environment conditions, such as the spray plume interactions and liquid penetration. The averaged Sauter mean diameter (SMD) calculations match the measurement sufficiently well. The spray structures for both single- and multi-component fuels during the injection process are well represented by current model.

42 ENGINEERING↗
DOE OSTI2022

Parameterization of electron attachment rate constants for impurities in LArTPC detectors

The ability of free electrons to drift long distances at high velocities in pure liquid argon under an applied electric field has been exploited for the past forty years to implement detectors with increasingly larger volumes for high energy physics research. The attachment of free electrons to impurities in the LAr is an important limit on the free instrumented volume of these extremely large detectors, and impurity concentrations as small as 100 ppt can reduce their resolution and efficiency. In this paper, we summarize the electron attachment rate constants as a function of the applied electric field, for common impurities in LArTPCs, obtained from data in the literature. Here, we further provide analytical functions to parameterize the data, which are useful to compare with new measurements, to model and analyze the performance of existing detectors, and to predict the performance of new detectors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Closed-form solutions towards real-time energy-optimal and collision-free speed planning with limited information

Under real-world driving conditions, available information is limited due to communication range, and connected and automated vehicles (CAVs) must plan and follow energy-optimal and collision-free speed trajectory with a high updating rate. To this end, this paper presents a holistic design of a speed planning algorithm using analytical closed-form optimal solutions. Using the simplest vehicle model, we derive closed-form solutions as a function of boundary conditions, and summarize them without and with state constraints imposed by speed limits and vehicle in front. Then, we introduce multiple modes (e.g., eco-approach to traffic signal) to properly respond dynamically changing situations, and present how to set boundary conditions for each mode, while guaranteeing nature of globally optimal solutions. Finally, we perform a large-scale simulation study to identify and quantify the energy impacts of CAVs for real-world driving routes. A simple but effective algorithm based on closed-form solutions shows a significant energy saving potential in comparison with human-driven vehicle and adaptive cruise controlled vehicle with connectivity.

Han, Jihun↗
NASA NTRS1986

MMIC antenna technology development in the 30/20 gigahertz band

This paper presents a progress summary of NASA's efforts in developing 20 and 30 GHz GaAs MMIC devices and an advanced satellite communications antenna system using these devices. In the interest of preserving resources such as frequency spectrum and orbital space the antenna system is being developed with multiple fixed spot beams and multiple scanning spot beams. NASA set high goals for the MMIC development to pushc GaAs technology. These goals and the main features of the MMIC devices are discussed. Some packaging and characterization considerations are also discussed. The 20 GHz transmit antenna and 30 GHz receive antenna are being developed separately. The approach selected is to perform contractual configuration studies, purchase a 20-GHz experimental antenna system (EAS) and perform in-house evaluation. The features and key specifications of the EAS are discussed. Additional supporting technologies such as effects of coupling on modest sized arrays, MMIC matching techniques, in-house analytical capability, wideband and dual frequency microstrip patch array development, and MMIC packaging techniques are described. Some plans for future are also discussed.

Smetana, J.↗
NASA NTRS1986

MMIC antenna technology development in the 30/20 gigahertz band

This paper presents a progress summary of NASA's efforts in developing 20 and 30 GHz GaAs MMIC devices and an advanced satellite communications antenna system using these devices. In the interest of preserving resources such as frequency spectrum and orbital space the antenna system is being developed with multiple fixed spot beams and multiple scanning spot beams. NASA set high goals for the MMIC development to push GaAs technology. These goals and the main features of the MMIC devices are discussed. Some packaging and characterization considerations are also discussed. The 20 GHz transmit antenna and 30 GHz receive antenna are being developed separately. The approach selected is to perform contractual configuration studies, purchase a 20-GHz experimental antenna system (EAS) and perform in-house evaluation. The features and key specifications of the EAS are discussed. Additional supporting technologies such as effects of coupling on modest sized arrays, MMIC matching techniques, in-house analytical capability, wideband and dual frequency microstrip patch array development, and MMIC packaging techniques are described. Some plans for future work are also discussed.

Smetana, J.↗
NASA NTRS1988

Results of an integrated structure-control law design sensitivity analysis

Next generation air and space vehicle designs are driven by increased performance requirements, demanding a high level of design integration between traditionally separate design disciplines. Interdisciplinary analysis capabilities have been developed, for aeroservoelastic aircraft and large flexible spacecraft control for instance, but the requisite integrated design methods are only beginning to be developed. One integrated design method which has received attention is based on hierarchal problem decompositions, optimization, and design sensitivity analyses. This paper highlights a design sensitivity analysis method for Linear Quadratic Cost, Gaussian (LQG) optimal control laws, which predicts change in the optimal control law due to changes in fixed problem parameters using analytical sensitivity equations. Numerical results of a design sensitivity analysis for a realistic aeroservoelastic aircraft example are presented. In this example, the sensitivity of the optimally controlled aircraft's response to various problem formulation and physical aircraft parameters is determined. These results are used to predict the aircraft's new optimally controlled response if the parameter was to have some other nominal value during the control law design process. The sensitivity results are validated by recomputing the optimal control law for discrete variations in parameters, computing the new actual aircraft response, and comparing with the predicted response. These results show an improvement in sensitivity accuracy for integrated design purposes over methods which do not include changess in the optimal control law. Use of the analytical LQG sensitivity expressions is also shown to be more efficient that finite difference methods for the computation of the equivalent sensitivity information.

Gilbert, Michael G.↗
NASA NTRS1989

Theory of the optimally coupled Q-switched laser

The general equations describing Q-switched laser operation are transcendental in nature and require numerical solutions, which greatly complicates the optimization of real devices. Here, it is shown that, using the mathematical technique of Lagrange multipliers, one can derive simple analytic expressions for all of the key parameters of the optimally coupled laser, i.e., one which uses an optimum reflector to obtain maximum laser efficiency for a given pump level. These parameters can all be expressed as functions of a single dimensionless variable z, defined as the ratio of the unsaturated small-signal gain to the dissipative (nonuseful) optical loss, multiplied by a few simple constants. Laser design tradeoff studies and performance projections can be accomplished quickly with the help of several graphs and a simple hand calculator. Sample calculations for a high-gain Nd:YAG and a low-gain alexandrite laser are presented as illustrations of the technique.

Degnan, John J.↗
NASA NTRS1998

An Overview of an Experimental Demonstration Aerotow Program

An overview of an experimental demonstration of aerotowing a delta-wing airplane with low-aspect ratio and relatively high wing loading is presented. Aerotowing of future space launch configurations is a new concept, and the objective of the work described herein is to demonstrate the aerotow operation using an airplane configuration similar to conceptual space launch vehicles. Background information on the use of aerotow for a space launch vehicle is presented, and the aerotow system used in this demonstration is described. The ground tests, analytical studies, and flight planning used to predict system behavior and to enhance flight safety are detailed. The instrumentation suite and flight test maneuvers flown are discussed, preliminary performance is assessed, and flight test results are compared with the preflight predictions.

Murray, James E.↗
NASA NTRS2003

Process-Based Cost Estimation for Ramjet/Scramjet Engines

Process-based cost estimation plays a key role in effecting cultural change that integrates distributed science, technology and engineering teams to rapidly create innovative and affordable products. Working together, NASA Glenn Research Center and Boeing Canoga Park have developed a methodology of process-based cost estimation bridging the methodologies of high-level parametric models and detailed bottoms-up estimation. The NASA GRC/Boeing CP process-based cost model provides a probabilistic structure of layered cost drivers. High-level inputs characterize mission requirements, system performance, and relevant economic factors. Design alternatives are extracted from a standard, product-specific work breakdown structure to pre-load lower-level cost driver inputs and generate the cost-risk analysis. As product design progresses and matures the lower level more detailed cost drivers can be re-accessed and the projected variation of input values narrowed, thereby generating a progressively more accurate estimate of cost-risk. Incorporated into the process-based cost model are techniques for decision analysis, specifically, the analytic hierarchy process (AHP) and functional utility analysis. Design alternatives may then be evaluated not just on cost-risk, but also user defined performance and schedule criteria. This implementation of full-trade study support contributes significantly to the realization of the integrated development environment. The process-based cost estimation model generates development and manufacturing cost estimates. The development team plans to expand the manufacturing process base from approximately 80 manufacturing processes to over 250 processes. Operation and support cost modeling is also envisioned. Process-based estimation considers the materials, resources, and processes in establishing cost-risk and rather depending on weight as an input, actually estimates weight along with cost and schedule.

Singh, Brijendra↗
NASA NTRS2009

Thermal-Structural Analysis of PICA Tiles for Solar Tower Test

Thermal protection materials used in spacecraft heatshields are subjected to severe thermal and mechanical loading environments during re-entry into earth atmosphere. In order to investigate the reliability of PICA tiles in the presence of high thermal gradients as well as mechanical loads, the authors designed and conducted solar-tower tests. This paper presents the design and analysis work for this tests series. Coupled non-linear thermal-mechanical finite element analyses was conducted to estimate in-depth temperature distribution and stress contours for various cases. The first set of analyses performed on isolated PICA tile showed that stresses generated during the tests were below the PICA allowable limit and should not lead to any catastrophic failure during the test. The tests results were consistent with analytical predictions. The temperature distribution and magnitude of the measured strains were also consistent with predicted values. The second test series is designed to test the arrayed PICA tiles with various gap-filler materials. A nonlinear contact method is used to model the complex geometry with various tiles. The analyses for these coupons predict the stress contours in PICA and inside gap fillers. Suitable mechanical loads for this architecture will be predicted, which can be applied during the test to exceed the allowable limits and demonstrate failure modes. Thermocouple and strain-gauge data obtained from the solar tower tests will be used for subsequent analyses and validation of FEM models.

Agrawal, Parul↗
DOE OSTI2023

Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning

In previous work (Dandu et al., J. Phys. Chem. A, 2022, 126, 4528–4536), we were successful in predicting accurate atomization energies of organic molecules using machine learning (ML) models, obtaining an accuracy as low as 0.1 kcal/mol compared to the G4MP2 method. In this work, we extend the use of these ML models to adiabatic ionization potentials on data sets of energies generated using quantum chemical calculations. Atomic specific corrections that were found to improve atomization energies from quantum chemical calculations have also been used in this study to improve ionization potentials. Here, the quantum chemical calculations were performed on 3405 molecules containing eight or fewer non-hydrogen atoms derived from the QM9 data set, using the B3LYP functional with the 6–31G(2df,p) basis set for optimization. Low-fidelity IPs for these structures were obtained using two density functional methods: B3LYP/6–31+G(2df,p) and ωB97XD/6–311+G(3df,2p). Highly accurate G4MP2 calculations were performed on these optimized structures to obtain high-fidelity IPs to use in ML models based on the low-fidelity IPs. Our best performing ML methods gave IPs of organic molecules within a mean absolute deviation of 0.035 eV from the G4MP2 IPs for the whole data set. This work demonstrates that ML predictions assisted by quantum chemical calculations can be used to successfully predict IPs of organic molecules for use in high throughput screening.

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

Suspended Membrane Evaporators Integrating Environmental and Solar Evaporation for Oily Wastewater Purification

Solar-driven evaporation is promising in oily wastewater treatment, in particular for emulsions, but conventional evaporators suffer from pore blocking by residual oil or contamination by volatile oil compounds in the condensed water. In the current research, we develop a suspended membrane evaporator integrating solar evaporation with oil-in-water emulsion separation. The heating and evaporating interface is separated from the rejecting interface to avoid oil escape and improve heat management. A temperature gradient forms on the membrane surface that can promote evaporation performance by combining both solar and environmental evaporation. Such an evaporator achieves a maximum evaporation rate of 1.645 kg/(m 2 ·h) as well as an apparent evaporation efficiency of 111.9%. Moreover, the superhydrophilic and superoleophobic membrane shows excellent oil repellence and emulsion rejection, which can achieve an oil removal efficiency above 98.8% in oil-in-water emulsion separation, and high evaporation rate recovery in cycling tests. Furthermore, a scaled-up membrane evaporator array produces ~8 kg/(m 2 ·d) of clean water from oily wastewater in outdoor experiments, further demonstrating the strong purification performance of this evaporator in oily wastewater treatment.

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

Synthetic Nuances to Maximize n-Type Organic Electrochemical Transistor and Thermoelectric Performance in Fused Lactam Polymers

A series of fully fused n-type mixed conduction lactam polymers p(g 7 NC n N), systematically increasing the alkyl side chain content, are synthesized via an inexpensive, nontoxic, precious-metal-free aldol polycondensation. Employing these polymers as channel materials in organic electrochemical transistors (OECTs) affords state-of-the-art n-type performance with p(g 7 NC 10 N) recording an OECT electron mobility of 1.20 x 10 -2 cm 2 V -1 s -1 and a μC* figure of merit of 1.83 F cm -1 V -1 s -1. In parallel to high OECT performance, upon solution doping with (4-(1,3-dimethyl-2,3-dihydro-1H-benzoimidazol-2-yl)phenyl)dimethylamine (N-DMBI), the highest thermoelectric performance is observed for p(g 7 NC 4 N), with a maximum electrical conductivity of 7.67 S cm -1 and a power factor of 10.4 μWm -1 K -2 . These results are among the highest reported for n-type polymers. Importantly, while this series of fused polylactam organic mixed ionic-electronic conductors (OMIECs) highlights that synthetic molecular design strategies to bolster OECT performance can be translated to also achieve high organic thermoelectric (OTE) performance, a nuanced synthetic approach must be used to optimize performance. Herein, we outline the performance metrics and provide new insights into the molecular design guidelines for the next generation of high-performance n-type materials for mixed conduction applications, presenting for the first time the results of a single polymer series within both OECT and OTE applications.

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

Lithium cuprate, a multifunctional material for NO selective catalytic reduction by CO with subsequent carbon oxide capture at moderate temperatures

Li 2 CuO 2 was evaluated as a possible catalyst for the NO selective catalytic reduction (NO SCR) by CO. The initial idea was supported by ab initio thermodynamic analysis. This analysis showed that NO SCR was favored by using Li 2 CuO 2 as a catalyst, based on the calculated heat of reaction and Gibbs free energy. The NO SCR reaction was evaluated under dynamic, isothermal and cyclic conditions using different NO : CO ratios (2 : 1, 1 : 1 and 1 : 2). The dynamic and isothermal experiments showed that Li 2 CuO 2 does reduce NO in the presence of CO to reach higher conversions (>90%) between 400 and 450 °C. However, it must be mentioned that the catalytic process was reduced once some of the produced CO 2 was captured on the ceramic. At that point, Li 2 CuO 2 acts as a bifunctional material, catalyzing the NO SCR reaction and capturing some of the produced CO 2 . Moreover, cyclic experiments evidenced high NO reduction. Finally, a different set of experiments showed that this catalytic reduction performed differently if NO and CO were previously fed. Finally, when lithium cuprate is previously carbonated (initial CO feed), the catalytic reaction does not complete. In contrast, when there was a previous nitrate formation (initial NO feed), the reaction reached 100% efficiency.

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

Mixed halide bulk perovskite triplet sensitizers: Interplay between band alignment, mid-gap traps, and phonons

Photon upconversion, particularly via triplet-triplet annihilation (TTA), could prove beneficial in expanding the efficiencies and overall impacts of optoelectronic devices across a multitude of technologies. The recent development of bulk metal halide perovskites as triplet sensitizers is one potential step toward the industrialization of upconversion-enabled devices. In this work, we investigate the impact of varying additions of bromide into a lead iodide perovskite thin film on the TTA upconversion process in the annihilator molecule rubrene. We find an interplay between the bromide content and the overall device efficiency. In particular, a higher bromide content results in higher internal upconversion efficiencies, enabled by more efficient charge extraction at the interface, likely due to a more favorable band alignment. However, the external upconversion efficiency decreases, as the absorption cross section in the near infrared is reduced. The highest upconversion performance is found in our study for a bromide content of 5%. This result can be traced back to a high absorption cross section in the near infrared and higher photoluminescence quantum yield in comparison to the iodide-only perovskite, as well as an increased driving force for charge transfer.

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

Machine learning enables interpretable discovery of innovative polymers for gas separation membranes

Polymer membranes perform innumerable separations with far-reaching environmental implications. Despite decades of research, design of new membrane materials remains a largely Edisonian process. To address this shortcoming, we demonstrate a generalizable, accurate machine learning (ML) implementation for the discovery of innovative polymers with ideal performance. Specifically, multitask ML models are trained on experimental data to link polymer chemistry to gas permeabilities of He, H 2 , O 2 , N 2 , CO 2 , and CH 4 . We interpret the ML models and extract valuable insights into the contributions of different chemical moieties to permeability and selectivity. We then screen over 9 million hypothetical polymers and identify thousands that lie well above current performance upper bounds, including hundreds of never-before-seen ultrapermeable polymer membranes with O 2 and CO 2 permeability greater than 10 4 and 10 5 Barrers, respectively. High-fidelity molecular dynamics simulations confirm the ML-predicted gas permeabilities of the promising candidates, which suggests that many can be translated to reality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗