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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Nonlinear programming extensions to rational function approximations of unsteady aerodynamics

This paper deals with approximating unsteady generalized aerodynamic forces in the equations of motion of a flexible aircraft. Two methods of formulating these approximations are extended to include both the same flexibility in constraining them and the same methodology in optimizing nonlinear parameters as another currently used 'extended least-squares' method. Optimal selection of 'nonlinear' parameters is made in each of the three methods by use of the same nonlinear (nongradient) optimizer. The objective of the nonlinear optimization is to obtain rational approximations to the unsteady aerodynamics whose state-space realization is of lower order than that required when no optimization of the nonlinear terms is performed. The free 'linear' parameters are determined using least-squares matrix techniques on a Lagrange multiplier formulation of an objective function which incorporates selected linear equality constraints. State-space mathematical models resulting from the different approaches are described, and results are presented which show comparative evaluations from application of each of the extended methods to a numerical example. The results obtained for the example problem show a significant (up to 63 percent) reduction in the number of differential equations used to represent the unsteady aerodynamic forces in linear time-invariant equations of motion as compared to a conventional method in which nonlinear terms are not optimized.

Tiffany, Sherwood H.↗
NASA NTRS1992

A simple node and conductor data generator for SINDA

This paper presents a simple, automated method to generate NODE and CONDUCTOR DATA for thermal match modes. The method uses personal computer spreadsheets to create SINDA inputs. It was developed in order to make SINDA modeling less time consuming and serves as an alternative to graphical methods. Anyone having some experience using a personal computer can easily implement this process. The user develops spreadsheets to automatically calculate capacitances and conductances based on material properties and dimensional data. The necessary node and conductor information is then taken from the spreadsheets and automatically arranged into the proper format, ready for insertion directly into the SINDA model. This technique provides a number of benefits to the SINDA user such as a reduction in the number of hand calculations, and an ability to very quickly generate a parametric set of NODE and CONDUCTOR DATA blocks. It also provides advantages over graphical thermal modeling systems by retaining the analyst's complete visibility into the thermal network, and by permitting user comments anywhere within the DATA blocks.

Gottula, Ronald R.↗
NASA NTRS1994

Unstructured-grid large-eddy simulation of flow over an airfoil

Historically, large-eddy simulations (LES) have been restricted to simple geometries where spectral or finite difference methods have dominated due to their efficient use of structured grids. Structured grids, however, not only difficulty representing complex domains and adapting to complicated flow features, but also are rather inefficient for simulating flows at high Reynolds numbers. The lack of efficiency stems from the need to resolve the viscous sublayer, which requires very fine resolution in all three directions near the wall. Structured grids make use of a stretching to reduce the normal grid spacing but must carry the fine resolution in the streamwise and spanwise directions throughout the domain. The unnecessarily fine grid for much of the domain leads to disturbingly high grid estimates. Chapman (1979), and later Moin & Jimenez (1993), pointed out that, in order to advance the technology to airfoils at flight Reynolds numbers, structured grids must be abandoned in lieu of what are known as nested or unstructured grids. The finite element method can efficiently solve the Navier-Stokes equations on unstructured grids. Although the CPU cost per time step per element is somewhat higher than structured grid methods, this effect is more than offset by the reduction in the number of elements. The use of unstructured grids, coupled with the advances in dynamic subgrid-scale modeling such as those made by Germano et al. (1991) and Ghosal et al. (1994), make LES of an airfoil tractable. We have chosen the NACA 4412 airfoil at maximum lift as the first simulation since this flow has not been successfully simulated with the Reynolds-averaged Navier-Stokes equations.

Jansen, Kenneth↗
NASA NTRS1994

Calibration of the COBE FIRAS instrument

The Far-Infrared Absolute Spectrophotometer (FIRAS) instrument on the Cosmic Background Explorer (COBE) satellite was designed to accurately measure the spectrum of the cosmic microwave background radiation (CMBR) in the frequency range 1-95/cm with an angular resolution of 7 deg. We describe the calibration of this instrument, including the method of obtaining calibration data, reduction of data, the instrument model, fitting the model to the calibration data, and application of the resulting model solution to sky observations. The instrument model fits well for calibration data that resemble sky condition. The method of propagating detector noise through the calibration process to yield a covariance matrix of the calibrated sky data is described. The final uncertainties are variable both in frequency and position, but for a typical calibrated sky 2.6 deg square pixel and 0.7/cm spectral element the random detector noise limit is of order of a few times 10(exp -7) ergs/sq cm/s/sr cm for 2-20/cm, and the difference between the sky and the best-fit cosmic blackbody can be measured with a gain uncertainty of less than 3%.

Fixsen, D. J.↗
NASA NTRS2002

Numerical Modeling of Cavitating Venturi: A Flow Control Element of Propulsion System

In a propulsion system, the propellant flow and mixture ratio could be controlled either by variable area flow control valves or by passive flow control elements such as cavitating venturies. Cavitating venturies maintain constant propellant flowrate for fixed inlet conditions (pressure and temperature) and wide range of outlet pressures, thereby maintain constant, engine thrust and mixture ratio. The flowrate through the venturi reaches a constant value and becomes independent of outlet pressure when the pressure at throat becomes equal to vapor pressure. In order to develop a numerical model of propulsion system, it is necessary to model cavitating venturies in propellant feed systems. This paper presents a finite volume model of flow network of a cavitating venturi. The venturi was discretized into a number of control volumes and mass, momentum and energy conservation equations in each control volume are simultaneously solved to calculate one-dimensional pressure, density, and flowrate and temperature distribution. The numerical model predicts cavitations at the throat when outlet pressure was gradually reduced. Once cavitation starts, with further reduction of downstream pressure, no change in flowrate is found. The numerical predictions have been compared with test data and empirical equation based on Bernoulli's equation.

Majumdar, Alok↗
DOE OSTI2022

Modifying Interface Solvation and Oxygen Reduction Electrocatalysis with Hydrophobic Species

Ionic liquid interlayers improve the oxygen reduction reaction (ORR) kinetics on bulk and nanostructured catalysts for both Pt and alloyed-Pt materials. Despite the demonstrated performance enhancement at the half-cell and membrane electrode assembly level, the mechanism of the improvement is not fully understood. In this work, we combine single-crystal experiments with microkinetic modeling to uncover the origin of the ORR kinetic improvement on Pt(111) in the presence of ionic liquids and hydrophobic cations. With the incorporation of a modified Frumkin isotherm, our model accurately simulates the disorder–order transition observed in hydroxyl and bisulfate adsorption on Pt(111) under acidic conditions. Voltametric analysis shows that ionic liquids impact solvation to break so-called scaling relations between the adsorption strength of OH ad and O ad , but these effects have little impact on ORR activity. Instead, destabilized OH ad reduces the overall hydroxyl (spectator) coverage, resulting in higher availability of active sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Interzeolite Transformation through Cross-Nucleation: A Molecular Mechanism for Seed-Assisted Synthesis

Polymorph selection and efficient crystallization are central goals in zeolite synthesis. Crystalline seeds are used for both purposes. While it has been proposed that zeolite seeds induce interzeolite transformation by dissolving into structural units that promote nucleation of the daughter crystal, the seed’s structural elements do not always match those of the target zeolite. This discrepancy raises the question of how the seed promotes the daughter phase. Here, we present the first molecularly resolved investigation of seed-assisted zeolite synthesis. Using molecular simulations, we reproduce the experimental finding that a parent zeolite can promote the nucleation of a daughter zeolite even when it lacks common composite building units (CBUs) or crystal planes. Modeling the seed-assisted synthesis of an AFI-type zeolite using zeolite CHA, our simulations indicate that stand-alone CBUs from the parent seed do not facilitate daughter crystal formation. However, introducing the intact seed significantly reduces the synthesis time, supporting that seed integrity is key to increased efficiency. This reduction arises from the cross-nucleation of the AFI-type zeolite on the CHA (001) face. We find that parent and daughter zeolites are connected by an interfacial transition layer with an order distinct from that of both zeolites. Simulations reveal that cross-nucleation occurs over a broad range of synthesis conditions. We argue that cross-nucleation would be most favorable for zeolite pairs that share crystalline planes such as those forming intergrowths. In conclusion, our findings suggest that the prevalence of intergrowths with a common lattice plane in zeolite synthesis is likely a kinetic effect of accelerated cross-nucleation.

Crystallization↗
DOE OSTI2025

Optimizing ensemble NV − spin properties of fluorescent diamond microparticles by systematic low pressure high temperature annealing

Low pressure high temperature annealing is a means for driving nitrogen and defect diffusion in diamond to reduce internal lattice damage without the need for technically complicated high-pressure cells. Herein, we perform a systematic time (5, 15, and 30 min) and temperature (1200 °C–1800 °C) study of effects of low-pressure high temperature annealing on photoluminescence, spin concentrations, and spin relaxation properties of NV centers in ca. 3 μm synthetic type 1b diamond particles. Annealing in the temperature range of ca. 1400 °C–1700 °C for even 5 min leads to a higher optically detected magnetic resonance contrast as compared to standard annealing at 900 °C for 2 h. Particles annealed at 1700 °C for 5 min exhibit a contrast close to about 13% as compared to about 9% for those annealed at 900 °C for 2 h. A reduction in the zero-field splitting strain parameter from E ≈ 4.5 MHz to ≈ 2.5 MHz and spectral linewidth from Δν ≈ 7 MHz to ≈ 4 MHz are observed even after 5 min annealing at 1700 °C. Improvements in these spectral parameters resulted in a roughly 2-fold reduction in the noise level of temperature monitoring experiment utilizing an ensemble of NV centers in the particles. Annealing in the temperature range of 1600 °C for 15 or 30 min or 1700 °C for 5 min resulted in NV T 1 relaxation times approaching ca. 5 ms typically observed for bulk diamond. Quantitative electron paramagnetic resonance (EPR) allowed for estimations of thermal activation energies of paramagnetic center annihilation. Monitoring the primary defect concentration (P1 and other defects with half integer spins) and utilizing second order kinetic modeling, an activation energy of 3.63 ± 0.28 eV was estimated. Alternatively, using the NV half field EPR signal and first order kinetic modeling, a similar activation energy 3.89 ± 0.29 eV was estimated.

NV centers↗
NASA NTRS2003

Magnetogasdynamic Power Extraction and Flow Conditioning for a Gas Turbine

An extension of the Russian AJAX concept to a turbojet is being explored. This magnetohydrodynamic (MHD) energy bypass engine cycle incorporating conventional gas turbine technology has MHD flow conditioning at the inlet to electromagnetically extract part of the inlet air kinetic energy. The electrical power generated can be used for various on-board vehicle requirements including plasma flow control around the vehicle or it may be used for augmenting the expanding flow in the high speed nozzle by MHD forces to generate more thrust. In order to achieve this interaction, the air needs to be ionized by an external means even up to fairly high flight speeds, and the leading candidates may be classified as electrical discharge devices. The present kinetic modeling calculations suggest that the use of electron beams with characteristics close to the commercially available e-beam systems (electron energy approx. 60 keV, beam current approx. 0.2 mA/sq cm) to sustain ionization in intermediate pressure, low-temperature (P = 0.1 atm, T = 300 K) supersonic air flows allows considerable reduction of the flow kinetic energy (up to 10 to 20 percent in M = 3 flows). The calculations also suggest that this can be achieved at a reasonable electron beam efficiency (eta approx. 5), even if the e-beam window losses are taken into account. At these conditions, the exit NO and O atom concentrations due to e-beam initiated chemical reactions do not exceed 30 ppm. Increasing the beam current up to approx. 2 mA/sq cm, which corresponds to a maximum electrical conductivity of sigma(sub max) approx. 0.8 mho/m at the loading parameter of K = 0.5, would result in a much greater reduction of the flow kinetic energy (up to 30 to 40 percent). The MHD channel efficiency at these conditions would be greatly reduced (to eta approx. 1) due to increased electron recombination losses in the channel. At these conditions, partial energy conversion from kinetic energy to heat would result in a significant total pressure loss (P(sub 0)/P(sub 0i) approx. 0.3). The total pressure loss can be reduced operating at the loading parameter closer to unity, at the expense of the reduced electrical power output. Raising the beam current would also result in the increase of the exit O atom concentrations (up to 600 ppm) and NO (up to 150 ppm).

Adamovich, Igor V.↗
DOE OSTI2021

Micro-cantilever beam experiments and modeling in porous polycrystalline UO 2

Understanding the impact of microstructure on the thermo-mechanical behavior of oxide nuclear fuels is vital to predicting their performance through multiscale models. Evaluating the mechanical properties at the sub-grain length scale is key to developing these multiscale models. In this work, 3D finite element (FE) models were constructed to simulate the micrometer-scale bending of micro-cantilever beams fabricated using porous polycrystalline uranium dioxide (UO 2 ) and tested at room temperature. Here, the results showed that the porosity and elastic anisotropy of individual grains can play a significant role in determining the effective mechanical properties of the material deduced from the tests. Specifically, the porosity had a non-negligible effect, given that the pore size was of the same order of magnitude as the dimensions of the micro-beams. Correlations between load-deflection data, pore location, and elastic properties (effective Young's modulus) were investigated using UO 2 micro-beam FE models, where pore clusters were included and placed at different locations along the length of the beam. Results indicated that the presence of pore clusters near the substrate, i.e., the clamp of the micro-cantilever beam, has the strongest effect on the load-deflection behavior, with the porosity leading to a reduction of stiffness that is the largest for any location of the pore clusters. Furthermore, it was also found that pore clusters located towards the middle of the span and close to the end of the beam have a comparatively small effect on the load-deflection behavior. Therefore, it is concluded that accurate estimates of Young's modulus can be obtained from micro-cantilever experiments after accounting for porosity on the one third of the beam length close to the clamp. This, in turn, provides an avenue to improve microscale experiments and their analysis in porous, anisotropic elastic materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1977

A comparison of the results of dynamic wind-tunnel tests with theoretical predictions for an aeromechanical gust-alleviation system for light airplanes

Dynamic wind tunnel tests have been conducted on a 1/6-scale model of a general aviation airplane equipped with an all-mechanical gust alleviation system which uses auxiliary aerodynamic surfaces to drive the flaps. The longitudinal short period motions were studied under simulated gust conditions in order to verify the mathematical model used in a previous study to predict the performance of the full scale system and determine the amount of normal acceleration alleviation which could be attained. The model responses were measured for different configurations with the system active and without the system active for comparison. The tests confirmed the general relationships between the experimental variables and the model responses predicted by the mathematical model, but there were significant differences in the magnitudes of the responses. The experimental results for the model were used to estimate a reduction of 30 percent in the rms normal acceleration response of a similar full scale airplane in atmospheric turbulence.

Stewart, E. C.↗
NASA NTRS1990

Simultaneous multifrequency observations of the Seyfert 1 galaxy NGC 4051 - Constant optical-infrared emission observed during large-amplitude X-ray variability

Simultaneous infrared, optical, ultraviolet, and X-ray observations of the low-luminosity Seyfert 1 galaxy, NGC 4051 are reported. A new method of reduction was developed to correct the optical flux for atmospheric variations due to seeing and extinction. The X-ray flux varied by factors of up to 2 on time-scales of tens of minutes, while the optical flux remained steady to within 1 percent. The results rule out all models, including Compton scattering and synchrotron models, in which a single electron population is responsible for the formation of both the infrared-to-optical and the X-ray spectra. The optical emission region must be an order of magnitude larger than, or completely separate from, the X-ray source.

Done, C.↗
NASA NTRS2005

Optimal Sensor Selection for Health Monitoring Systems

Sensor data are the basis for performance and health assessment of most complex systems. Careful selection and implementation of sensors is critical to enable high fidelity system health assessment. A model-based procedure that systematically selects an optimal sensor suite for overall health assessment of a designated host system is described. This procedure, termed the Systematic Sensor Selection Strategy (S4), was developed at NASA John H. Glenn Research Center in order to enhance design phase planning and preparations for in-space propulsion health management systems (HMS). Information and capabilities required to utilize the S4 approach in support of design phase development of robust health diagnostics are outlined. A merit metric that quantifies diagnostic performance and overall risk reduction potential of individual sensor suites is introduced. The conceptual foundation for this merit metric is presented and the algorithmic organization of the S4 optimization process is described. Representative results from S4 analyses of a boost stage rocket engine previously under development as part of NASA's Next Generation Launch Technology (NGLT) program are presented.

Santi, L. Michael↗
NASA NTRSDate not supplied

Jig Twist Optimization of Mach 0.8 Transonic Truss-Braced Wing Aircraft

This paper presents a jig twist optimization study of Mach 0.8 Transonic Truss-Braced Wing (TTBW) aircraft using FUN3D. The solver has been validated against wind tunnel test data. An aeroelastic model deformation correction method is developed for the wind tunnel model to improve the validation. The flight condition corresponding to Mach 0.8 and design lift coefficient 0.695 is selected for the TTBW aircraft jig twist optimization to reduce the drag coefficient. The static aeroelastic simulation module in FUN3D is used for the aeroelastic simulation. Three different orders of the Chebyshev polynomials are used as shape function to represent the variations of the jig twist distribution along the wing span. The preliminary optimization results show that the Mach 0.8 TTBW aircraft with the optimized jig twist achieves a drag reduction of about 5.7 counts at the design condition when 5 𝑡ℎ order Chebyshev polynomials are used as shape function.

TTBW↗
NASA NTRS2003

Modeling of Carbon Nanotube Schottky Barrier Reduction for Holes in Air

A model is proposed for the recently observed lower Schottky barrier for holes in air than in vacuum at a metallic electrode - semiconducting carbon nanotube (CNT) junction. In air, the CNT is oxidized. The oxygen molecules on the CNT surface will attract negative charges and will be negatively charged. The negative charges on the solid surface generally enhance the surface dipole and provide stronger electron confinement within the solid. Thus the CNT work function will increase in air. Then the Schottky barrier for holes will have to increase in air according to the standard band-alignment theory, but this is against the experiment. In order to overcome this difficulty, we propose a new Schottky barrier model, assuming that there is a transition region between the electrode and the CNT, where an appreciable potential can drop. We assume that electrodes are placed at the side of the CNT and the contact is formed via the van der Waals interaction. Since the electrode surface is not atomically flat in practical situations, the contact will not be intimate and there will be a transition region before the usual metallic bulk structure starts. In this view, the Schottky barrier is determined not only by the work function difference of the electrodes and the CNT, but also by the potential drop in the transition region. The oxidation increases the potential drop and leads to a lower Schottky barrier for holes. This relation will be demonstrated in a graphical manner by expressing the potential drop as a function of CNT band bending. The potential drop is comparable to the CNT band gap when, e.g., the transition region is about a few Angstroms thick, the oxygen molecule coverage is about 10 %, and an oxygen molecule is charged by about 0.01-0.1 of the unit charge (1-10 % of molecules are charged). The proposed mechanism prevails for both p - and n-CNTs. The model consistently explains the CNT oxidation experiments reported so far.

Yamada, Toshishige↗
DOE OSTI2022

Home energy management under realistic and uncertain conditions: A comparison of heuristic, deterministic, and stochastic control methods

We report home energy management systems (HEMS) have been shown to reduce energy bills and to provide grid services including peak demand reduction and demand flexibility. However, uncertainty in residential energy systems is a significant issue and can reduce the benefits of a HEMS to the homeowner or grid operator. Sources of uncertainty include weather forecasts, predictions of energy-related occupant activities (e.g., hot water draws), and parameter estimation for the building envelope and energy-consuming equipment. This paper tackles the problem of uncertainty by developing a framework that simulates HEMS in uncertain conditions and evaluates the performance of multiple control strategies. A linear, reduced-order residential building model for model predictive control applications is derived and compared to a full-order model. Stochastic model predictive control is shown to perform better than deterministic and heuristic methods when considering realistic forecasts with uncertainty. The framework can evaluate the performance of HEMS in real-world applications, which can help de-risk HEMS deployment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Evidence That Sharp Interfaces Suppress Recombination in Thick Organic Solar Cells

Commercialization and scale-up of organic solar cells (OSCs) using industrial solution printing requires maintaining maximum performance at active-layer thicknesses >400 nm – a characteristic still not generally achieved in non-fullerene acceptor OSCs. NT812:PC71BM is a rare system whose performance increases up to these thicknesses due to highly suppressed charge recombination relative to the classic Langevin model. The suppression in this system, however, uniquely depends on device processing, pointing towards the role of nano-morphology. We investigate the morphological origins of this suppressed recombination by combining results from a suite of X-ray techniques. We are surprised to find that while all investigated devices are composed of pure, similarly aggregated nanodomains, Langevin reduction factors can still be tuned from ~2 to >1000. This indicates that pure aggregated phases are insufficient for non-Langevin (reduced) recombination. Instead, we find that large well-ordered conduits and, in particular, sharp interfaces between domains appear to help to keep opposite charges separated and percolation pathways clear for enhanced charge collection in thick active layers. To our knowledge, this is the first quantitative study to isolate donor/acceptor interfacial width correlated to non-Langevin charge recombination. Furthermore, this new structure-property relationship will be key to successful commercialization of printed OSCs at scale.

14 SOLAR ENERGY↗
DOE OSTI2023

Sensitivity Analysis of Genome-Scale Metabolic Flux Prediction

TRIMER, Transcription Regulation Integrated with MEtabolic Regulation, is a genome-scale modeling pipeline targeting at metabolic engineering applications. Using TRIMER, regulated metabolic reactions can be effectively predicted by integrative modeling of metabolic reactions with a Transcription Factor (TF)-gene regulatory network (TRN), which is modeled via a Bayesian network (BN). In this paper, we focus on sensitivity analysis of metabolic flux prediction for uncertainty quantification of BN structures for TRN modeling in TRIMER. We propose a computational strategy to construct the uncertainty class of TRN models based on the inferred regulatory order uncertainty given transcriptomic expression data. With that, we analyze the prediction sensitivity of the TRIMER pipeline for the metabolite yields of interest. The obtained sensitivity analyses can guide Optimal Experimental Design (OED) to help acquire new data that can enhance TRN modeling and achieve specific metabolic engineering objectives, including metabolite yield alterations. Here we have performed small- and large-scale simulated experiments, demonstrating the effectiveness of our developed sensitivity analysis strategy for BN structure learning to quantify the edge importance in terms of metabolic flux prediction uncertainty reduction and its potential to effectively guide OED.

59 BASIC BIOLOGICAL SCIENCES↗