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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 NTRS1990

The Traffic Management Advisor

The traffic management advisor (TMA) is comprised of algorithms, a graphical interface, and interactive tools for controlling the flow of air traffic into the terminal area. The primary algorithm incorporated in it is a real-time scheduler which generates efficient landing sequences and landing times for arrivals within about 200 n.m. from touchdown. A unique feature of the TMA is its graphical interface that allows the traffic manager to modify the computer-generated schedules for specific aircraft while allowing the automatic scheduler to continue generating schedules for all other aircraft. The graphical interface also provides convenient methods for monitoring the traffic flow and changing scheduling parameters during real-time operation.

Nedell, William↗
NASA NTRS1995

On the breakup of viscous liquid threads

A one-dimensional model evolution equation is used to describe the nonlinear dynamics that can lead to the breakup of a cylindrical thread of Newtonian fluid when capillary forces drive the motion. The model is derived from the Stokes equations by use of rational asymptotic expansions and under a slender jet approximation. The equations are solved numerically and the jet radius is found to vanish after a finite time yielding breakup. The slender jet approximation is valid throughout the evolution leading to pinching. The model admits self-similar pinching solutions which yield symmetric shapes at breakup. These solutions are shown to be the ones selected by the initial boundary value problem, for general initial conditions. Further more, the terminal state of the model equation is shown to be identical to that predicted by a theory which looks for singular pinching solutions directly from the Stokes equations without invoking the slender jet approximation throughout the evolution. It is shown quantitatively, therefore, that the one-dimensional model gives a consistent terminal state with the jet shape being locally symmetric at breakup. The asymptotic expansion scheme is also extended to include unsteady and inerticial forces in the momentum equations to derive an evolution system modelling the breakup of Navier-Stokes jets. The model is employed in extensive simulations to compute breakup times for different initial conditions; satellite drop formation is also supported by the model and the dependence of satellite drop volumes on initial conditions is studied.

Papageorgiou, Demetrios T.↗
NASA NTRS1999

Computational and Experimental Study of Energetic Material in a Counterflow Microgravity Environment

Ground based (normal gravity) combustion studies can provide important information on the processes by which monopropellants and composite systems burn. The effects of gravitational forces, however, can often complicate the interpretation of the models and the implementation of experiments designed to help elucidate complex issues. We propose to utilize a combined computational/experimental approach in a microgravity environment to understand the interaction of oxidizer-binder diffusion flames in composite propellants. By operating under microgravity conditions we will be able to increase the length scales and suppress the gravitational forces on melting binders such that increased resolution of both major and minor species will be possible thus reducing the demands placed on both the computational and diagnostic tools. Results of a detailed transport/finite rate chemistry model will be compared with nonintrusive optical diagnostic measurements of the structure and extinction of diffusion flames in which oxidizers such as ammonium perchlorate (AP) and ammonium dinitramide (ADN) are counterflowed against realistic binders such as hydroxyl-terminated polybutadiene (HTPB) and 3,3-bis(azidomethyl)oxetane (BAMO). The work proposed herein represents a collaborative effort among the research groups at Yale University, Princeton University and the Combustion Diagnostics Laboratory at the Naval Air Warfare Center in China Lake, CA.

Smooke, Mitchell D.↗
NASA NTRS2000

The Dynamic Planner: The Sequencer, Scheduler, and Runway Allocator for Air Traffic Control Automation

The Dynamic Planner (DP) has been designed, implemented, and integrated into the Center-TRACON Automation System (CTAS) to assist Traffic Management Coordinators (TMCs), in real time, with the task of planning and scheduling arrival traffic approximately 35 to 200 nautical miles from the destination airport. The TMC may input to the DP a series of current and future scheduling constraints that reflect the operation and environmental conditions of the airspace. Under these constraints, the DP uses flight plans, track updates, and Estimated Time of Arrival (ETA) predictions to calculate optimal runway assignments and arrival schedules that help ensure an orderly, efficient, and conflict-free flow of traffic into the terminal area. These runway assignments and schedules can be shown directly to controllers or they can be used by other CTAS tools to generate advisories to the controllers. Additionally, the TMC and controllers may override the decisions made by the DP for tactical considerations. The DP will adapt to computations to accommodate these manual inputs.

Wong, Gregory L.↗
NASA NTRS2019

Manufacturing of Thermoset Polyimide Composites by Laser Sintering

Selective Laser Sintering (SLS) is an additive manufacturing technique that builds 3D models layer by layer using a laser to selectively melt cross sections in powdered polymeric materials, following sequential slices of the computer-aided design (CAD) model. SLS generally uses thermoplastic polymeric powders such as polyamides. The resultant 3D-printed objects are often weaker in their strength compared to traditionally processed materials, due to their higher porosity. This paper described the process development of using melt-processable imide oligomers terminated with reactive 4-phenylethynylphthalic anhydride (4-PEPA) to conduct laser sintering (LS). The first successful 3D-printing of high temperature RTM370 thermoset polyimide carbon fiber composites were further post-cured to promote additional crosslinking for achieving higher temperature (T g = 370°C) capability. Another novel imide oligomer, RTM385-SLS, formulated with a complex melt viscosity [ƞ*] of ~104-105 poise is also suitable for LS. RTM385-SLS resin powder was mixed with 20-25% of hexagonal boron nitride (h-BN) and subjected to LS to print out “Green” specimens which could be further post-cured to afford a thermally conductive but electrically insulating composites with high T g of 385 °C. The cured composite specimens were then subjected to mechanical testing, thermal conductivity and porosity measurements as well as SEM characterization.

additive Manufacturing↗
DOE OSTI2020

The Bonding Nature and Adhesion of Polyacrylic Acid Coating on Li-Metal for Li Dendrite Prevention

The success of polyacrylic acid (PAA) to suppress Li dendrite growth suggests that the mechanical properties of polymer-based coatings, including the modulus, toughness, and interfacial adhesion are important design criteria. However, the measurement of the adhesion of thin PAA, as well as other polymer coatings to the reactive Li-metal anode surface is limited experimentally and challenging computationally. In this paper, a strategy was proposed to estimate the adhesion and delamination of the PAA(polymer)/Li interface, based on the bonding nature at the simpler PAA (oligomer)/Li interfaces using density functional theory calculations. It has been shown that the carboxylic acid groups in PAA reacted strongly with metallic Li, which significantly enhances the interfacial adhesion through the Li–O bonds formation, Li ionization and its incorporation into PAA, and –H or –OH termination of Li after decomposition of the COOH functional group. During delamination, it was found that the most likely PAA delamination route involved breaking partial Li–O bonds and lifting some ionized Li atoms from the Li-metal, especially for the Li atoms that showed a charge closer to +1 or are bonded with two O atoms from PAA. Based on the average bonding energies from PAA(oligomer)/Li interface delamination calculations, the work of separation, W sep , of the PAA(polymer)/Li interface was estimated to be ~1.0 (J/m 2 ). The high W sep of PAA (polymer)/Li was comparable with the Li 2 O/Li interface and higher than Li 2 CO 3 /Li and LiF/Li interfaces. This order correlated well with the areal density of Li–O bonds, which can serve as a descriptor for the interfacial adhesion. Furthermore, this computational approach can be applied to other interfaces with polymer-based coatings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Sterically Stabilized Terminal Hydride of a Diiron Dithiolate

In this work, the kinetically robust hydride [ t -HFe 2 (Me 2 pdt)(CO) 2 (dppv) 2 ] + ([ t -H 1 ] + ) (Me 2 pdt 2– = Me 2 C(CH 2 S – ) 2 ; dppv = cis -1,2-C 2 H 2 (PPh 2 ) 2 ) and related derivatives were prepared with 57 Fe enrichment for characterization by NMR, FT-IR, and NRVS. The experimental results were rationalized using DFT molecular modeling and spectral simulations. The spectroscopic analysis was aimed at supporting assignments of Fe–H vibrational spectra as they relate to recent measurements on [FeFe]-hydrogenase enzymes. The combination of bulky Me 2 pdt 2– and dppv ligands stabilizes the terminal hydride with respect to its isomerization to the 5–16 kcal/mol more stable bridging hydride ([μ-H 1 ] + ) with t 1/2 (313.3 K) = 19.3 min. In agreement with the nOe experiments, the calculations predict that one methyl group in [ t -H 1 ] + interacts with the hydride with a computed CH···HFe distance of 1.7 Å. Although [ t -H 57 1 ] + exhibits multiple NRVS features in the 720–800 cm –1 region containing the bending Fe–H modes, the deuterated [ t -D 57 1 ] + sample exhibits a unique Fe-D/CO band at ~600 cm –1 . In contrast, the NRVS spectra for [μ-H 57 1 ] + exhibit weaker bands near 670–700 cm –1 produced by the Fe–H–Fe wagging modes coupled to Me 2 pdt 2– and dppv motions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Two-target game model of an air combat with fire-and-forget all-aspect missiles

An air combat duel between similar aggressive fighter aircraft, both equipped with the same type of guided missiles, is formulated as a two-target differential game using the dynamic model of the game of two identical cars. Each of the identical target sets represents the effective firing envelope of an all-aspect fire-and-forget air-to-air missile. The firing range limits depend on the target aspect angle and are approximated by analytical functions. The maximum range, computed by taking into account the optimal missile avoidance maneuver of the target, determines the no-escape firing envelope. The solution consists of the decomposition of the game space into four regions: the respective winning zones of the two opponents, the draw zone, and the region where the game terminates by a mutual kill. The solution provides a new insight for future air combat analysis.

Davidovitz, A.↗
NASA NTRS1991

Improved millimeter-wave mixer performance analysis at cryogenic temperatures

The results of a 600-GHz mixer performance analysis using an improved model for computing the Schottky diode capacitance-voltage (C-V) relationship are presented. The computed C-V data for a realistic submillimeter-waver mixer diode are given as a function of physical temperature and compared to the standard analytic expression based on a solution of Poisson's equation. Both C-V relationships are used to predict the performance of an ideally terminated 600 GHz mixer operating at 300, 140, 80, and 30 K. It is shown that the drift-diffusion model more accurately describes the mixer performance when the physical temperature is reduced below roughly 100 K.

Siegel, Peter H.↗
DOE OSTI2019

Microsolvation Structures of Protonated Glycine and L -Alanine

The IR predissociation spectra of microsolvated glycine and l-alanine, GlyH + (H 2 O) n and AlaH + (H 2 O) n , n = 1–6, are presented. The assignments of the solvation structures are aided by H 2 O/D 2 O substitution, IR-IR double resonance spectroscopy, and computational efforts. The analysis reveals the water–amino acid as well as the water–water interactions, and the subtle effects of the methyl side chain in L-alanine on the solvation motif are also highlighted. The bare amino acids exhibit an intramolecular hydrogen bond between the protonated amine and carboxyl terminals. In the n = 1–2 clusters, the water molecules preferentially solvate the protonated amine group, and we observed differences in the relative isomer stabilities in the two amino acids due to electron donation from the methyl weakening the intramolecular hydrogen bond. The structures in the n = 3 clusters show a further preference for solvation of the carboxyl group in l-alanine. For n = 4–6 clusters, the solvation structure of the two amino acids is remarkably similar, with one dominant isomer present in each cluster size. The first solvation shell is completed at n = 4, evidenced by a lack of free NH and OH stretches on the amino acid, as well as the first observation of H 2 O–H 2 O interactions in the spectra of n = 5. Finally, we note that calculations at the density functional theory (DFT) level show excellent agreement with the experiment for the smaller clusters. Furthermore, when water–water interactions compete with water–amino acid interactions in the larger clusters, DFT results show greater disagreement with experiment when compared to MP2 results.

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

fpikachu96/KRED-data

Exploiting nature’s catalysts for non-natural transformations that are inaccessible to chemocatalysis is highly desirable but challenging. On the one hand, the widespread nicotinamide-dependent oxidoreductases have not been utilized for single-electron-transfer-induced bimolecular cross-couplings; on the other, the addition of catalytic asymmetric radical conjugate to terminal alkenes remains a challenge owing to strong racemic background reaction and unselective termination of prochiral radical species. Here we report a chemomimetic biocatalysitic approach for construction of alpha-carbonyl stereocentres via an unnatural intermolecular conjugate addition of N-(acyloxy)phthalimides-derived radicals with acceptor-substituted terminal alkenes, by combination of visible-light excitation and nicotinamide-dependent ketoreductases (KREDs). Based on protein crystal structure, we engineered KREDs via a semi-rational mutagenesis strategy to improve reaction outcomes with a small and high-quality variants library. Mechanistic investigations combining wet experiments, crystallographic studies and computational simulations demonstrate that the repurposed biocatalyst can suppress racemic background reaction and unselected side reactions, yielding enantioselectivity that is challenging to achieve by chemocatalysis.

Huang, Xiaoqiang↗
DOE OSTI2022

Tunable plasmon-enhanced second-order optical nonlinearity in transition-metal dichalcogenide nanotriangles (Final Report for SC0008712)

The control of light-matter interaction at the nanoscale is a grand challenge that cuts across modern photonics, plasmonics, and optoelectronics. The development of simulation tools for predictive modeling of nanostructured light emitters and absorbers is critical to successfully tackling this grand challenge. Existing state-of-the-art tools are not suitable for the following reasons: a) Phenomenological models of materials, commonly employed in the full-wave solutions to Maxwell’s equations, are fit to experimental data for bulk materials and fall short when attempting to analyze nanostructures. b) Nonlinearities in optical response can arise solely from nanostructuring, and require time-dependent quantum electronic transport techniques to capture. c) Emergent materials with exotic and tunable physical properties are increasingly used, but their properties are very sensitive to the substrate, impurities, and edge termination, and require an accurate description of interband and intraband processes, as well as dissipation. d) Microscopic modeling of electronic transport usually employs simplified electrodynamics, and realistic models that couple full electronic transport with full-wave electrodynamics are needed for accurate photonics simulations. The objective of this project was to computational tools that will overcome the limitations faced by current modeling tools and provide an unprecedented level of accuracy for predictive modeling of light-matter interaction at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nitridation of atomically smooth (111) diamond surfaces using a low temperature Penning plasma discharge

Diamond is a material with a wide band gap that can host a variety of isolated paramagnetic defects, called “color centers”1. These color centers have attractive optical and magnetic properties suitable for quantum applications including quantum computing, nanophotonics and quantum sensing. The most common one is the negatively charged nitrogen vacancy (NV) color center. For quantum sensing, it is desirable to reduce the distance between the NV center and the analyte by using shallow color centers in order to increase sensitivity. In this context, the diamond surface termination is especially critical. The appropriate surface termination is required to stabilize the color centers and mitigate surface magnetic noise. The nitrogen termination of diamond has been postulated as highly desirable for the NV color center. The goal of this project is to take advantage of an electron beam-generated ExB low temperature plasma developed by the Princeton Collaborative Low Temperature Plasma Research Facility (PCRF) at the Princeton Plasma Physics Laboratory (PPPL) to nitridate the surface of (100) diamond single crystals with minimal surface damage. In this reactor, the use of a magnetized plasma enables gentle processing of materials sensitive to ion damage. This is in strong contrast to radiofrequency plasma processing reactors which are known to etch and sputter the surface. XPS measurements indicate the incorporation of nitrogen and oxygen atoms at the surface in similar amounts. XAS measurements confirm the nitridation and indicate that the nitrogen termination is different from the nitrogen termination obtained using radiofrequency plasma treatment4. The combination of these results indicates the formation of amid species at the (100) diamond surface that are promising for the stabilization of NV centers for quantum sensing.

36 MATERIALS SCIENCE↗
NASA NTRS1971

An analysis and comparison of several trajectory optimization methods

The sensitivities of the convergence characteristics of the methods to initially assumed parameters and trial solution, convergence times, computer logic, and storage requirements are discussed. Numerical comparison of the convergence characteristics is made by considering a minimum time, low thrust, Earth-Mars transfer trajectory. A modified quasi-linearization method reduces convergence time by approximately 70% when compared with the generalized Newton-Raphson method and allows the terminal boundary to be specified by a general function of the problem variables. A uniquely specified and easily determined, time dependent weighting matrix for the gradient techniques accelerates the shaping of the optimal control program and improves the convergence characteristics during the terminal iterations. Convergence envelopes, indicating how sensitive the convergence characteristics are to initially assumed parameters, are plotted for the perturbation and quasi-linearization methods. Several iteration schemes are proposed which increase the size of the convergence envelopes and decrease the sensitivity of the method to initially assumed parameters.

Lewallen, J. M.↗
NASA NTRS1978

Description of a computer program and numerical techniques for developing linear perturbation models from nonlinear systems simulations

A numerical technique was developed which generates linear perturbation models from nonlinear aircraft vehicle simulations. The technique is very general and can be applied to simulations of any system that is described by nonlinear differential equations. The computer program used to generate these models is discussed, with emphasis placed on generation of the Jacobian matrices, calculation of the coefficients needed for solving the perturbation model, and generation of the solution of the linear differential equations. An example application of the technique to a nonlinear model of the NASA terminal configured vehicle is included.

Dieudonne, J. E.↗
NASA NTRS1979

Wavelength dependence of polarization. XXXV - Vertical structure of scattering layers above the visible Venus clouds

Results of multiple-scattering computations based on whole-disk and Digicon polarization observations are presented which indicate vertical inhomogeneity in the upper atmosphere of Venus. It is shown that the whole-disk observations support a thin upper haze layer of 0.18-micron particles and that the low polarization observed near the limb and terminator requires a haze of slightly larger particles. The Digicon polar regions are found to exhibit increased polarization, which is compatible with CO2 absorption measurements and is explained by increased molecular scattering above the clouds. The decrease in cloud-top height for latitudes greater than 45 deg is estimated to be approximately 1.4 km.

Lane, W. A.↗
NASA NTRS1982

LANDSAT technology transfer to the private and public sectors through community colleges and other locally available institutions, phase 2 program

A program established by NASA with the Environmental Research Institute of Michigan (ERIM) applies a network where the major participants are NASA, universities or research institutes, community colleges, and local private and public organizations. Local users are given an opportunity to obtain "hands on" training in LANDSAT data analysis and Geographic Information System (GIS) techniques using a desk top, interactive remote analysis station (RAS). The RAS communicates with a central computing facility via telephone line, and provides for generation of land use and land suitability maps and other data products via remote command. During the period from 22 September 1980 - 6 March 1982, 15 workshops and other training activities were successfully conducted throughout Michigan providing hands on training on the RAS terminals for 250 or more people and user awareness activities such as exhibits and demonstrations for 2,000 or more participants.

Rogers, R. H.↗
NASA NTRS1982

The design and technology development for A 150 mlb resistojet for H2 or NH3

A 150 mlb thrust level hybrid resistojet which may operate on either H2 or NH3 is described whose design technique allows temperature distribution forecasting by means of a microcomputer-implemented mathematical model. The longer computer run times that accompany the exclusive use of BASIC, relative to assembled languages, are offset by the flexibility offered and the reduction of reprogramming and debugging efforts. The integration of a compact first-stage coiled heater with a concentric tubular gas heater offers direct matching of the 28 V terminal of the spacecraft system, while keeping maximum heater wall temperatures to less than 60 K over that of the gas temperature at the throat. Among the novel materials employed are grain-stabilized rhenium for heating elements and high purity aluminas for insulators.

Page, R. J.↗