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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Tracking performance under time sharing conditions with a digit processing task: A feedback control theory analysis

A one dimensional compensatory tracking task and a digit processing reaction time task were combined in a three phase experiment designed to investigate tracking performance in time sharing. Adaptive techniques, elaborate feedback devices, and on line standardization procedures were used to adjust task difficulty to the ability of each individual subject and manipulate time sharing demands. Feedback control analysis techniques were employed in the description of tracking performance. The experimental results show that when the dynamics of a system are constrained, in such a manner that man machine system stability is no longer a major concern of the operator, he tends to adopt a first order control describing function, even with tracking systems of higher order. Attention diversion to a concurrent task leads to an increase in remnant level, or nonlinear power. This decrease in linearity is reflected both in the output magnitude spectra of the subjects, and in the linear fit of the amplitude ratio functions.

Gopher, D.↗
NASA NTRS1976

Chemical equilibrium

The entropy of a gas system with the number of particles subject to external control is maximized to derive relations between the thermodynamic variables that obtain at equilibrium. These relations are described in terms of the chemical potential, defined as equivalent partial derivatives of entropy, energy, enthalpy, free energy, or free enthalpy. At equilibrium, the change in total chemical potential must vanish. This fact is used to derive the equilibrium constants for chemical reactions in terms of the partition functions of the species involved in the reaction. Thus the equilibrium constants can be determined accurately, just as other thermodynamic properties, from a knowledge of the energy levels and degeneracies for the gas species involved. These equilibrium constants permit one to calculate the equilibrium concentrations or partial pressures of chemically reacting species that occur in gas mixtures at any given condition of pressure and temperature or volume and temperature.

Source record↗
DOE OSTI2017

Quantum Correlated Multi-Fragment Reaction Imaging

This grant supported research in basic atomic, molecular and optical physics related to the interactions of atoms with particles and fields. This report will focus on the 12 year period from 2004 to 2017, although the DOE–BES has supported my research every year since 1986. All of the support from the grant was used to pay summer salaries of the PI and students and travel to conferences and meetings. The results were in the form of publications in peer reviewed journals as well as conference invited talks and colloquiums. There were 12 peer reviewed publications in these 12+ years. Innovations in few-body science at molecular and nano levels are a critical component of on- going efforts to establish sustainable environmental and energy resources. The varied research paths taken will require the development of basic science on broad fronts with increasing flexi- bility to crossover technologies. We thus worked to extract understanding and quantum control of few-body microscopic systems based on our long-time experience with more conventional studies of correlated electrons and ions. Given the enormous advances over the past 20 years to our understanding of quantum cor- relations with photon interferometry, AMO collision science generally is ready to move beyond the one-particle, single-port momentum detection that has dominated collision physics since Rutherford. Nevertheless, our familiar theoretical tools for collision theory need to be up- graded to incorporate these more generalized measurement formalisms and ultimately to give incentive for a new generation of experiments. Our interest in these topics remains motivated by the recent surge in and success of exper- iments involving few-body atomic and molecular fragmentation and the detection of all the fragments. The research described here thus involved two parallel efforts with (i) emphasis on reaction imaging while (ii) pursuing longtime work on quantum correlated collective excitations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

In Situ/Operando Probing of Dynamic Phase Structures of Alumina‐Supported Ultrasmall Copper‐Gold Alloy Nanoparticles Under Reaction Conditions

Abstract The ability to control phase structures and surface sites of ultrasmall alloy nanoparticles under reaction conditions is essential for preparing catalysts by design. This is, however, challenging due to limited understanding of the atomic‐scale phases and their correlation with the ensemble‐averaged structures and activities of catalysts during catalytic reactions. We reveal here a dynamic structural stability of alumina‐supported ultrasmall and equiatomic copper‐gold alloy nanoparticles under reaction conditions as a model system in the in situ/operando study. In situ atomic‐scale morphological tracking under oxygen reveals temperature‐dependent dynamic crystalline‐amorphous dual‐phase structures, showing dynamic stability over an elevated temperature range. This atomic‐scale dynamic phase stability coincides with a “conversion plateau” observed for carbon monoxide oxidation on the catalyst. It is substantiated by the stable lattice ordering/disordering structures and surface sites with oscillatory characteristics shown by operando ensemble‐average structural tracking of the catalyst during the oxidation reaction. The understanding of the atomic‐scale dynamic phase structures in correlation with the ensemble‐average dynamic ordering/disordering phase structures and surface sites provides fresh insights into the unique synergy of the supported alloy nanoparticles. This understanding has implications for the design and structural tuning of active and stable ultrasmall alloy catalysts under elevated temperatures.

Chemistry↗
DOE OSTI2016

Advanced Chemical Design for Efficient Lignin Bioconversion

Here, lignin depolymerization mainly involves redox reactions relying on the effective electron transfer. Even though electron mediators were previously used for delignification of paper pulp, no study has established a bioprocess to fragment and solubilize the lignin with an effective laccase–mediator system, in particular, for subsequent microbial bioconversion. Efficient lignin depolymerization was achieved by screening proper electron mediators with laccase to attain a nearly 6-fold increase of kraft lignin solubility compared to the control kraft lignin without laccase treatment. Chemical analysis suggested the release of a low molecular weight fraction of kraft lignin into the solution phase. Moreover, NMR analysis revealed that an efficient enzyme–mediator system can promote the lignin degradation. More importantly, the fundamental mechanisms guided the development of an efficient lignin bioconversion process, where solubilized lignin from laccase–HBT treatment served as a superior substrate for bioconversion by Rhodococcus opacus PD630. The cell growth was increased by 10 6 fold, and the lipid titer reached 1.02 g/L. Overall, the study has manifested that an efficient enzyme–mediator–microbial system can be exploited to establish a bioprocess to solubilize lignin, cleave lignin linkages, modify the structure, and produce substrates amenable to bioconversion.

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

Coherent approach to two-dimensional heterolayered oxychalcogenides using molten hydroxides.

Heterolayered structures consist of two or more different types of layer and can exhibit exceptional physical properties. Rational routes to synthesize new members of such compounds are required because most of these compounds have been discovered unintentionally. So far there is no generic method to vertically stack chemically different layers to form two-dimensional compounds owing to a lack of understanding of the synthesis of these materials. Here we report the use of molten hydroxides as unconventional solutions for the rapid stacking of oxide and chalcogenide layers with precise composition control. In addition, the crystal growth of heterolayered phases can be achieved by the reaction of different components at their diffusion front in molten hydroxides. This approach creates conditions in which the building blocks for each heterolayer can coexist, enabling heterolayered structures and bypassing the challenges of traditional solid-state chemistry methods where short reactant diffusion lengths predominate. This crystal growth methodology for heterolayers is also applicable to systems that do not form congruent melts at high temperatures.

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

A method for calculating transient thrust and flow-rate levels for Mariner type attitude control nitrogen gas jets

The purpose of this report is to define and program the transient pneumatic flow equations necessary to determine, for a given set of conditions (geometry, pressures, temperatures, valve on time, etc.), the total nitrogen impulse and mass flow per pulse for the single pulsing of a Mariner type reaction control assembly valve. The rates of opening and closing of the valves are modeled, and electrical pulse durations from 20 to 100 ms are investigated. In developing the transient flow analysis, maximum use was made of the steady-state analysis. The impulse results are also compared to an equivalent square-wave impulse for both the Mariner Mars 1971 (MM'71) and Mariner Mars 1964 (MM'64) systems. It is demonstrated that, whereas in the MM'64 system, the actual impulse was as much as 56 percent higher than an assumed impulse (which is the product of the steady-state thrust and value on time i.e., the square wave), in the MM'71 system, these two values were in error in the same direction by only approximately 4 percent because of the larger nozzle areas and shorter valve stroke used.

Ferrera, J. D.↗
NASA NTRS1983

Laser fluorescence studies of the chemical interactions of sodium species with sulfur bearing fuels

By using a large matrix of fuel rich and fuel lean H2/O2/N2 and fuel rich C2H2/O2/N2 flames, the behavior of sodium and its interactions with sulfur at high temperatures was extensively characterized. OH concentrations were measured for each flame using the previously validated laser induced fluorescence technique. Sodium atomic concentrations were obtained by the saturated laser fluorescence method. Measurements were made in the absence and presence of up to 2% sulfur. In oxygen rich systems sodium is depleted by NaO2 and NaOH formation. The relative amounts of each are controlled by the degree of nonequilibration of the flame radicals and by the temperature. The bond strength of NaO2 was established. For the first time, a complete understanding of the complex behavior of sodium in fuel lean H2/O2 flames has emerged and computer modeling has permitted various rate constants of Na, NaO2 and NaOH reactions to be approximately fixed.

Steinberg, M.↗
NASA NTRS1992

Materials surface contamination analysis

The original research objective was to demonstrate the ability of optical fiber spectrometry to determine contamination levels on solid rocket motor cases in order to identify surface conditions which may result in poor bonds during production. The capability of using the spectral features to identify contaminants with other sensors which might only indicate a potential contamination level provides a real enhancement to current inspection systems such as Optical Stimulated Electron Emission (OSEE). The optical fiber probe can easily fit into the same scanning fixtures as the OSEE. The initial data obtained using the Guided Wave Model 260 spectrophotometer was primarily focused on determining spectra of potential contaminants such as HD2 grease, silicones, etc. However, once we began taking data and applying multivariate analysis techniques, using a program that can handle very large data sets, i.e., Unscrambler 2, it became apparent that the techniques also might provide a nice scientific tool for determining oxidation and chemisorption rates under controlled conditions. As the ultimate power of the technique became recognized, considering that the chemical system which was most frequently studied in this work is water + D6AC steel, we became very interested in trying the spectroscopic techniques to solve a broad range of problems. The complexity of the observed spectra for the D6AC + water system is due to overlaps between the water peaks, the resulting chemisorbed species, and products of reaction which also contain OH stretching bands. Unscrambling these spectral features, without knowledge of the specific species involved, has proven to be a formidable task.

Workman, Gary L.↗
NASA NTRS2003

A Reactive-Ion Etch for Patterning Piezoelectric Thin Film

Reactive-ion etching (RIE) under conditions described below has been found to be a suitable means for patterning piezoelectric thin films made from such materials as PbZr(1-x)Ti(x)O3 or Ba(x)Sr(1.x)TiO3. In the original application for which this particular RIE process was developed, PbZr(1-x)Ti(x)O3 films 0.5 microns thick are to be sandwiched between Pt electrode layers 0.1 microns thick and Ir electrode layers 0.1 microns thick to form piezoelectric capacitor structures. Such structures are typical of piezoelectric actuators in advanced microelectromechanical systems now under development or planned to be developed in the near future. RIE of PbZr(1-x)Ti(x)O3 is usually considered to involve two major subprocesses: an ion-assisted- etching reaction, and a sputtering subprocess that removes reactive byproducts. RIE is favored over other etching techniques because it offers a potential for a high degree of anisotropy, high-resolution pattern definition, and good process control. However, conventional RIE is not ideal for patterning PbZr(1-x)Ti(x)O3 films at a thickness as great as that in the original intended application. In order to realize the potential benefits mentioned above, it is necessary to optimize process conditions . in particular, the composition of the etching gas and the values of such other process parameters as radio-frequency power, gas pressure, gas-flow rate, and duration of the process. Guidelines for determining optimum conditions can be obtained from experimental determination of etch rates as functions of these parameters. Etch-gas mixtures of BCl3 and Cl2, some also including Ar, have been found to offer a high degree of selectivity as needed for patterning of PbZr(1-x)Ti(x)O3 films on top of Ir electrode layers in thin-film capacitor structures. The selectivity is characterized by a ratio of approx.10:1 (rate of etching PbZr(1-x)Ti(x)O3 divided by rate of etching Ir and IrO(x)). At the time of reporting the information for this article, several experiments on RIE in BCl3 and Cl2 (and sometimes Ar) had demonstrated the 10:1 selectivity ratio, and further experiments to enhance understanding and obtain further guidance for optimizing process conditions were planned.

Yang, Eui-Hyeok↗
NASA NTRS2012

Antimicrobial Materials for Advanced Microbial Control in Spacecraft Water Systems

Microbial detection, identification, and control are essential for the maintenance and preservation of spacecraft water systems. Requirements set by NASA put limitations on the energy, mass, materials, noise, cost, and crew time that can be devoted to microbial control. Efforts are being made to attain real-time detection and identification of microbial contamination in microgravity environments. Research for evaluating technologies for capability enhancement on-orbit is currently focused on the use of adenosine triphosphate (ATP) analysis for detection purposes and polymerase chain reaction (peR) for microbial identification. Additional research is being conducted on how to control for microbial contamination on a continual basis. Existing microbial control methods in spacecraft utilize iodine or ionic silver biocides, physical disinfection, and point-of-use sterilization filters. Although these methods are effective, they require re-dosing due to loss of efficacy, have low human toxicity thresholds, produce poor taste, and consume valuable mass and crew time. Thus, alternative methods for microbial control are needed. This project also explores ultraviolet light-emitting diodes (UV-LEDs), surface passivation methods for maintaining residual biocide levels, and several antimicrobial materials aimed at improving current microbial control techniques, as well as addressing other materials presently under analysis and future directions to be pursued.

Birmele, Michele↗
NASA NTRS2017

Cold Helium Gas Pressurization For Spacecraft Cryogenic Propulsion Systems

To reduce the dry mass of a spacecraft pressurization system, helium pressurant may be stored at low temperature and high pressure to increase mass in a given tank volume. Warming this gas through an engine heat exchanger prior to tank pressurization both increases the system efficiency and simplifies the designs of intermediate hardware such as regulators, valves, etc. since the gas is no longer cryogenic. If this type of cold helium pressurization system is used in conjunction with a cryogenic propellant, though, a loss in overall system efficiency can be expected due to heat transfer from the warm ullage gas to the cryogenic propellant which results in a specific volume loss for the pressurant, interpreted as the Collapse Factor. Future spacecraft with cryogenic propellants will likely have a cold helium system, with increasing collapse factor effects as vehicle sizes decrease. To determine the collapse factor effects and overall implementation strategies for a representative design point, a cold helium system was hotfire tested on the Integrated Cryogenic Propulsion Test Article (ICPTA) in a thermal vacuum environment at the NASA Glenn Research Center Plum Brook Station. The ICPTA vehicle is a small lander-sized spacecraft prototype built at NASA Johnson Space Center utilizing cryogenic liquid oxygen/liquid methane propellants and cryogenic helium gas as a pressurant to operate one 2,800lbf 5:1 throttling main engine, two 28lbf Reaction Control Engines (RCE), and two 7lbf RCEs (Figure 1). This vehicle was hotfire tested at a variety of environmental conditions at NASA Plum Brook, ranging from ambient temperature/simulated high altitude, deep thermal/high altitude, and deep thermal/high vacuum conditions. A detailed summary of the vehicle design and testing campaign may be found in Integrated Cryogenic Propulsion Test Article Thermal Vacuum Hotfire Testing, AIAA JPC 2017.

Morehead, Robert L.↗
DOE OSTI2025

A Cocatalytic System for Electrooxidation of Primary, Secondary, and Benzyl Alcohols Based on a Triruthenium Oxo-Centered Cluster and NHPI

Increasing interest in alternative methods for fuel generation and chemical synthesis has resulted in an increased focus on the development of electrocatalysts for energy relevant small molecule transformations, such as the oxidation of methanol. Partial methanol oxidation is a crucial step in the generation of the commodity chemical formaldehyde, and its complete oxidation to carbon dioxide can also serve as the anodic reaction in direct methanol fuel cells. We report a coelectrocatalytic system comprised of an oxo-centered triruthenium cluster (Ru 3 O) as the catalyst, with the electro-generated N-phthalimido-N-oxyl (PINO) radical species acting as a redox mediator. Only a mild Brønsted base, 2,6-lutidine, is required to achieve an electrocatalytic response. The cocatalytic system demonstrates remarkable cooperativity, shifting the oxidation potential of MeOH (Ep) less positive by ca. 0.5 V compared to the intrinsic response of the Ru 3 O complex. Controlled potential electrolysis on a model substrate, 4-trifluoromethylbenzyl alcohol, demonstrates selective production of the two-electron, two-proton aldehyde product with a Faradaic efficiency of 79 ± 11% at a rate of 3.14 s –1 . The rate of cocatalysis is 50-fold greater than the intrinsic activity of Ru3O and 26-fold greater than that of PINO alone under otherwise identical conditions. Mechanistic studies reveal the oxidation of a Ru 3 O–alkoxide species as the potential-determining step, while two possible rate-determining steps are identified depending on the substrate. A preference for sterically uninhibited electron-rich benzyl alcohol substrates suggests that a H atom transfer from the Ru 3 O–alkoxide adduct to PINO is rate-determining, while the lack of an observed kinetic isotope effect using deuterated MeOH suggests the oxidation of the Ru 3 O–alkoxide species is both rate- and potential-determining for cocatalysis.

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

Role of Dynamic Polarization Interactions in the Electrical Double Layer at Calcite (104) Interfaces with Aqueous Solutions

Reactions at mineral interfaces with aqueous solutions control many geochemical and biogeochemical processes in the Earth’s critical zone. At the molecular level, insights into important properties such as the structure of the electrical double layer (EDL) at specific mineral interfaces continue to improve due to the increasing fidelity of laboratory instrumentation and computational approaches. However, molecular simulation approaches suffer from limited reach into relevant scales of time, length, and system complexity. To span this gap, a novel hybrid approach that couples first principle plane-wave density functional theory (DFT) with classical DFT (cDFT) is demonstrated and applied to calcite (104) interfaces with various electrolytes. In this approach, a region of interest described using DFT interacts with the surrounding medium described using cDFT to arrive at a self-consistent ground state. Benchmarking against experimental observations and entirely first principle DFT simulations demonstrates that this hybrid model efficiently encompasses the key short-range and collective interactions in the EDL. Simulations of calcite (104)/solution interfaces reveal the key static and dynamic polarization interactions that give rise to structuring of ions and water. Ion hydration interactions have the strongest effect on the depth of the first minimum in the density distribution of counterions at the surface, and the position and width of the first density peak is largely determined by the strength of ion-correlation forces. Finer details of ion distributions are controlled by mutual polarization of the calcite surface and interfacial electrolyte. Finally, this new ability to efficiently and rigorously predict EDL structure at mineral surfaces in contact with complex solutions paves the way to accurately modeling sorption, nucleation, dissolution, and growth in realistic systems.

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

Mechanistic and Kinetic Analysis of Complete Methane Oxidation on a Practical PtPd/Al 2 O 3 Catalyst

A PtPd/Al 2 O 3 catalyst developed for the complete oxidation of methane from the ventilation air of underground coal mines is compared against a model PdO/Al 2 O 3 catalyst. Although the PtPd/Al 2 O 3 catalyst is substantially more active and stable than the model catalyst, the nature of active sites between the two catalysts is deemed to be fundamentally the same based on their response to different feed gas compositions and the evolution of surface CO adsorption complexes during time-resolved CO adsorption DRIFTS experiment. For both catalysts, coordinatively unsaturated Pd sites are considered the active centers for methane activation and the subsequent oxidation reaction. H 2 O competes with CH 4 for the same active sites, resulting in severe inhibition. Additionally, the CH 4 oxidation reaction also causes self-inhibition. Taking both inhibition effects into consideration, a relatively simple kinetic model is developed. The model provides a good fit of the 72 sets of kinetic data collected on the PtPd/Al 2 O 3 catalyst under practically relevant reaction conditions with CH 4 concentration in the range of 0.05–0.4%, H 2 O concentration of 1.0–5.0%, and reaction temperatures of 450–700 °C. Kinetic parameters based on the model suggest that the CH 4 activation energy on the PtPd/Al 2 O 3 catalyst is 96.7 kJ/mol, and the H 2 O adsorption energy is –31.0 kJ/mol. Both values are consistent with the parameters reported in the literature. The model can be used to develop catalyst sizing guidelines and be incorporated into the control algorithm of the catalytic system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1977

Symposium on Combustion /International/, 16th, Massachusetts Institute of Technology, Cambridge, Mass., August 15-20, 1976, Proceedings

Aspects of combustion technology in power systems are considered, taking into account a combustion in large boilers, the control of over-all thermal efficiency of combustion heating systems, a comparison of mathematical models of the radiative behavior of a large-scale experimental furnace, a concentric multiannular swirl burner, and the effects of water introduction on diesel engine combustion and emissions. Attention is also given to combustion and related processes in energy production from coal, spray and droplet combustion, soot formation and growth, the kinetics of elementary reactions, flame structure and chemistry, propellant ignition and combustion, fire and explosion research, mathematical modeling, high output combustion systems, turbulent flames and combustion, and ignition, optical, and electrical properties.

Source record↗
NASA NTRS1982

Pulsed radiolysis of model aromatic polymers and epoxy based matrix materials

Models of primary processes leading to deactivation of energy deposited by a pulse of high energy electrons were derived for epoxy matrix materials and polyl-vinyl naphthalene. The basic conclusion is that recombination of initially formed charged states is complete within 1 nanosecond, and subsequent degradation chemistry is controlled by the reactivity of these excited states. Excited states in both systems form complexes with ground state molecules. These excimers or exciplexes have their characteristics emissive and absorptive properties and may decay to form separated pairs of ground state molecules, cross over to the triplet manifold or emit fluorescence. ESR studies and chemical analyses subsequent to pulse radiolysis were performed in order to estimate bond cleavage probabilities and net reaction rates. The energy deactivation models which were proposed to interpret these data have led to the development of radiation stabilization criteria for these systems.

Gupta, A.↗
NASA NTRS1981

Space Shuttle entry aerodynamic comparisons of flight 1 with preflight predictions

Results of comparisons of predictions of aerodynamic performance, longitudinal trim, and reaction control jet interaction with data from the initial Shuttle flight are presented. The Shuttle's control surfaces are described, and it is noted that the flight plan contained no provisions for maneuvering capability tests. Wind tunnel testing totaling 35,000 hr were used to replace graduated flight testing, and calculations were made to allow for nonsimulated structural deformation, flowfield parameters, and profile drag. The goal was to desensitize the flight control system with respect to the aerodynamics by adding variations to the predictions. Lift/drag agreed well above Mach 1, while lower drag was encountered below Mach 1. Trim characteristics were predicted accurately between Mach 2-10, and less than satisfactorily outside that range. Discrepancies were also observed for jet interaction effects for the aft yaw jets at Mach numbers greater than 10.

Young, J. C.↗