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NASA NTRS1976

MCSCF potential energy surface for photodissociation of formaldehyde

The ground state potential energy surface for the dissociation of formaldehyde (H2CO to H2 and CO) is calculated with the ab initio MCSCF method with an extended (4-31G) basis set. The location, barrier height, and force constants of the transition state are determined, and the normal coordinate analysis is carried out. The calculated barrier height is 4.5 eV. Based on the calculated quantities, the detailed mechanism of the photochemical dissociation is discussed.

Jaffe, R. L.↗

NASA NTRS1984

Parametric instabilities during electron cyclotron heating of tandem mirrors

Electron cyclotron resonance heating is one of the most commonly used methods of heating electrons in the plugs and in the thermal barriers of tandem mirrors. The intense coherent electromagnetic waves used for such heating are susceptible to parametric decay into other modes. Significant growth rates are found for the decay of either ordinary or extraordinary waves into two magnetized electron plasma waves. This and related effects may result in electron heating mechanisms rather different than those assumed in linear ray-tracing calculations. These results may help explain the unusual effects observed during heating of the Phaedrus tandem mirror device. In the general case, these instabilities may be strongly inhibited by density gradients.

Nicholson, D. R.↗

NASA NTRS1989

Multiplier-continuation algorthms for constrained optimization

Several path following algorithms based on the combination of three smooth penalty functions, the quadratic penalty for equality constraints and the quadratic loss and log barrier for inequality constraints, their modern counterparts, augmented Lagrangian or multiplier methods, sequential quadratic programming, and predictor-corrector continuation are described. In the first phase of this methodology, one minimizes the unconstrained or linearly constrained penalty function or augmented Lagrangian. A homotopy path generated from the functions is then followed to optimality using efficient predictor-corrector continuation methods. The continuation steps are asymptotic to those taken by sequential quadratic programming which can be used in the final steps. Numerical test results show the method to be efficient, robust, and a competitive alternative to sequential quadratic programming.

Lundberg, Bruce N.↗

NASA NTRS1991

Tunneling calculations for GaAs-Al(x)Ga(1-x) as graded band-gap sawtooth superlattices

Quantum mechanical tunneling calculations for sawtooth (linearly graded band-gap) and step-barrier AlGaAs superlattices were performed by means of a transfer matrix method, within the effective mass approximation. The transmission coefficient and tunneling current versus applied voltage were computed for several representative structures. Particular consideration was given to effective mass variations. The tunneling properties of step and sawtooth superlattices show some qualitative similarities. Both structures exhibit resonant tunneling, however, because they deform differently under applied fields, the J-V curves differ.

Forrest, Kathrine A.↗

NASA NTRS1997

Can Chlorine Anion Catalyze the Reaction fo HOCl with HCl?

The reaction of HOCl + HCl -> Cl2 + H20 in the presence of Cl has been studied using ab initio methods. This reaction has been shown to have a high activation barrier of 46.5 kcal/mol. The chlorine anion, Cl- is found to catalyze the reaction, viz. two mechanisms. The first involves Cl- interacting through the concerted four-center transition state of the neutral reaction. The other mechanism involves the formation of a HCl-HOCl-Cl- intermediate which dissociates into Cl2 + Cl- + H20. The steps are found to have no barriers. The overall exothermicity is 15.5 kcal/mol.

Richardson, S. L.↗

NASA NTRS2011

NASA Tech Briefs, February 2011

Topics covered include: Multi-Segment Radius Measurement Using an Absolute Distance Meter Through a Null Assembly; Fiber-Optic Magnetic-Field-Strength Measurement System for Lightning Detection; Photocatalytic Active Radiation Measurements and Use; Computer Generated Hologram System for Wavefront Measurement System Calibration; Non-Contact Thermal Properties Measurement with Low-Power Laser and IR Camera System; SpaceCube 2.0: An Advanced Hybrid Onboard Data Processor; CMOS Imager Has Better Cross-Talk and Full-Well Performance; High-Performance Wireless Telemetry; Telemetry-Based Ranging; JWST Wavefront Control Toolbox; Java Image I/O for VICAR, PDS, and ISIS; X-Band Acquisition Aid Software; Antimicrobial-Coated Granules for Disinfecting Water; Range 7 Scanner Integration with PaR Robot Scanning System; Methods of Antimicrobial Coating of Diverse Materials; High-Operating-Temperature Barrier Infrared Detector with Tailorable Cutoff Wavelength; A Model of Reduced Kinetics for Alkane Oxidation Using Constituents and Species for N-Heptane; Thermally Conductive Tape Based on Carbon Nanotube Arrays; Two Catalysts for Selective Oxidation of Contaminant Gases; Nanoscale Metal Oxide Semiconductors for Gas Sensing; Lightweight, Ultra-High-Temperature, CMC-Lined Carbon/Carbon Structures; Sample Acquisition and Handling System from a Remote Platform; Improved Rare-Earth Emitter Hollow Cathode; High-Temperature Smart Structures for Engine Noise Reduction and Performance Enhancement; Cryogenic Scan Mechanism for Fourier Transform Spectrometer; Piezoelectric Rotary Tube Motor; Thermoelectric Energy Conversion Technology for High-Altitude Airships; Combustor Computations for CO2-Neutral Aviation; Use of Dynamic Distortion to Predict and Alleviate Loss of Control; Cycle Time Reduction in Trapped Mercury Ion Atomic Frequency Standards; and A (201)Hg+ Comagnetometer for (199)Hg+ Trapped Ion Space Atomic Clocks.

Source record↗

NASA NTRS2011

High-Operating-Temperature Barrier Infrared Detector with Tailorable Cutoff Wavelength

A mid-wavelength infrared (MWIR) barrier photodetector is capable of operating at higher temperature than the prevailing MWIR detectors based on InSb. The standard high-operating-temperature barrier infrared detector (HOT-BIRD) is made with an InAsSb infrared absorber that is lattice-matched to a GaSb substrate, and has a cutoff wavelength of approximately 4 microns. To increase the versatility and utility of the HOT-BIRD, it is implemented with IR absorber materials with customizable cutoff wavelengths. The HOT-BIRD can be built with the quaternary alloy GaInAsSb as the absorber, GaAlSbAs as the barrier, on a lattice-matching GaSb substrate. The cutoff wavelength of the GaInAsSb can be tailored by adjusting the alloy composition. To build a HOT-BIRD requires a matching pair of absorber and barrier materials with the following properties: (1) their valence band edges must be approximately the same to allow unimpeded hole flow, while their conduction band edges should have a large difference to form an electron barrier; and (2) the absorber and the barrier must be respectively lattice-matched and closely lattice-matched to the substrate to ensure high material quality and low defect density. To make a HOT-BIRD with cutoff wavelength shorter than 4 microns, a GaInAsSb quaternary alloy was used as the absorber, and a matching GaAlSbAs quaternary alloy as the barrier. By changing the alloy composition, the band gap of the quaternary alloy absorber can be continuously adjusted with cutoff wavelength ranging from 4 microns down to the short wavelength infrared (SWIR). By carefully choosing the alloy composition of the barrier, a HOT-BIRD structure can be formed. With this method, a HOT-BIRD can be made with continuously tailorable cutoff wavelengths from 4 microns down to the SWIR. The HOT-BIRD detector technology is suitable for making very-large-format MWIR/SWIR focal plane arrays that can be operated by passive cooling from low Earth orbit. High-operating temperature infrared with reduced cooling requirement would benefit space missions in reduction of size, weight, and power, and an increase in mission lifetime.

Ting, David Z.↗

NASA NTRSDate not supplied

Interfacial thermodynamics of cryogenic fluids: The effect on non-condensable gas on fluid storage

Propellant tanks that contain cryogenic fluids (CFs) in low gravity conditions are usually pressurized with non-condensable (NC) gases for fast extraction. Unfortunately, the presence of NC gases causes CFs to exhibit higher boil-offs compared to pure CF systems. For optimal utilization of the cryogenic fuels, these higher boil-off rates must be minimized. Our goal is to quantify the effects NC gases have on the evaporation and condensation dynamics of CFs to develop strategies that mitigate the higher boil-offs. The hypothesis is that the NC gas accumulates around the CF’s liquid vapor interface in the Knudsen layer, creating a kinetic barrier for both evaporation and condensation. Testing this hypothesis with experimental methods is difficult due to the transient nature of the Knudsen layer, which is only a few nanometers thick. Furthermore, experimental capabilities are limited in low gravity conditions and extremely expensive. Accordingly, we approach this problem from a theoretical perspective. In this study, we employ molecular dynamics (MD) simulations to probe the interfacial mechanisms that affect CF’s evaporation and condensation at varying concentrations of NC gases. Specifically, we use nitrogen (N2) and oxygen (O2) as our CFs and neon (Ne) as our NC gas. Using MD simulations, we show that Ne accumulates at N2 liquid vapor interface across a wide range of Ne concentrations, thereby impeding mass transport of N2. Our simulations allow for direct computation of the molar flux as well as the mass accommodation coefficient (MAC) which can then be used as input parameters to continuum fluid dynamics (CFD) models for optimal storage tank design.

Michael Robert DeLyser↗

NASA NTRSDate not supplied

Influence Network: Network visualization of influence between stories for Earth Science data and information exploration

Using storytelling to present data has been demonstrated as an effective way to help data users gain deeper insight of information. For this purpose, the “Data in Action” story concept has been adopted by NASA Commercial Smallsat Data Acquisition (CSDA) Program to encourage creating and sharing data information in story form. To aid researchers in exploring similar stories and data in their fields of interest, we created an “Influence Network” within the “Data in Action” framework. The Influence Network is a data visualization system component which gathers information of story relationships using a concept called “influence,” which we define based on the number of visits and keyword similarity between stories. The visualization then provides insights into the influence flows between different stories within the system. The visualization of this “Influence Network” focuses on one story at a time, introducing a time series of neighbor stories that have the most influence to the currently focused story. By focusing on views over time and visualizing influence flows between stories, we aim to assist authors in understanding how their readers perceive their stories as well as advancing their methods for delivering more meaningful stories to expand and lower the barrier to use of CSDA datasets.

Dan Pham↗

NASA NTRS1995

Mechanical properties testing and results for thermal barrier coatings

The paper reports on several years of mechanical testing of thermal barrier coatings. The test results were generated to support the development of durability models for the coatings in heat engine applications. The test data that are reviewed include modulus, static strength, and fatigue strength data. The test methods and results are discussed, along with the significant difficulties inherent in mechanical testing of thermal barrier coating materials. The materials include 7 percent wt. and 8 percent wt. yttria, partially stabilized zirconia as well as a cermet material. Both low pressure plasma spray and electron-beam physical vapor deposited coatings were tested. The data indicate the basic trends in the mechanical properties of the coatings over a wide range of isothermal conditions. Some of the trends are correlated with material density.

Thomas A. Cruse↗

NASA NTRS2002

Method for improving the performance of oxidizable ceramic materials in oxidizing environments

Improved adhesion of thermal barrier coatings to nonmetallic substrates using a dense layer of ceramic on an underlying nonmetallic substrate that includes at least one oxidizable component. The improved adhesion occurs because the application of the dense ceramic layer forms a diffusion barrier for oxygen. This diffusion barrier prevents the oxidizable component of the substrate from decomposing. The present invention applies ceramic by a process that deposits a relatively thick and dense ceramic layer on the underlying substrate. The formation of the dense layer of ceramic avoids the problem of void formation associated with ceramic formation by most prior art thermal decomposition processes. The formation of voids has been associated with premature spalling of thermal barrier layers and other protective layers applied to substrates.

Nagaraj, Bangalore A.↗

NASA NTRS1983

Thin wire pointing method

A method is described for forming sharp tips on thin wires, in particular phosphor bronze wires of diameters such as one-thousandth inch used to contact micron size Schottky barrier diodes, which enables close control of tip shape and which avoids the use of highly toxic solutions. The method includes dipping an end of a phosphor bronze wire into a dilute solution of sulfamic acid and applying a current through the wire to electrochemically etch it. The humidity in the room is controlled to a level of less than 50%, and the voltage applied between the wire and another electrode in the solutions is a half wave rectified voltage. The current through the wire is monitored, and the process is stopped when the current falls to a predetermined low level.

Green, G.↗

NASA NTRS2000

Vacuum Plasma Spray of CuCrNb Alloy for Advanced Liquid - Fuel Combustion Chambers

The copper-8 atomic percent chromium-4 atomic percent niobium (CuCrNb) alloy was developed by Glenn Research Center (formally Lewis Research Center) as an improved alloy for combustion chamber liners. In comparison to NARloy-Z, the baseline (as in Space Shuttle Main Engine) alloy for such liners, CuCrNb demonstrates mechanical and thermophysical properties equivalent to NARloy-Z, but at temperatures 100 C to 150 C (180 F to 270 F) higher. Anticipated materials related benefits include decreasing the thrust cell liner weight 5% to 20%, increasing the service life at least two fold over current combustion chamber design, and increasing the safety margins available to designers. By adding an oxidation and thermal barrier coating to the liner, the combustion chamber can operate at even higher temperatures. For all these benefits, however, this alloy cannot be formed using conventional casting and forging methods because of the levels of chromium and niobium, which exceed their solubility limit in copper. Until recently, the only forming process that maintains the required microstructure of CrNb intermetallics is powder metallurgy formation of a billet from powder stock, followed by extrusion. This severely limits its usefulness in structural applications, particularly the complex shapes required for combustion chamber liners. Vacuum plasma spray (VPS) has been demonstrated as a method to form structural articles including small combustion chambers from the CuCrNb alloy. In addition, an oxidation and thermal barrier layer can be formed integrally on the hot wall of the liner that improve performance and extend service life. This paper discusses the metallurgy and thermomechanical properties of VPS formed CuCrNb versus the baseline powder metallurgy process, and the manufacturing of small combustion chamber liners at Marshall Space Flight Center using the VPS process. The benefits to advanced propulsion initiatives of using VPS to fabricate combustion chamber liners while maintaining the superior CuCrNb properties are also presented.

Zimmerman, Frank↗

NASA NTRS2008

Proceedings of the Sixth NASA Langley Formal Methods (LFM) Workshop

Today's verification techniques are hard-pressed to scale with the ever-increasing complexity of safety critical systems. Within the field of aeronautics alone, we find the need for verification of algorithms for separation assurance, air traffic control, auto-pilot, Unmanned Aerial Vehicles (UAVs), adaptive avionics, automated decision authority, and much more. Recent advances in formal methods have made verifying more of these problems realistic. Thus we need to continually re-assess what we can solve now and identify the next barriers to overcome. Only through an exchange of ideas between theoreticians and practitioners from academia to industry can we extend formal methods for the verification of ever more challenging problem domains. This volume contains the extended abstracts of the talks presented at LFM 2008: The Sixth NASA Langley Formal Methods Workshop held on April 30 - May 2, 2008 in Newport News, Virginia, USA. The topics of interest that were listed in the call for abstracts were: advances in formal verification techniques; formal models of distributed computing; planning and scheduling; automated air traffic management; fault tolerance; hybrid systems/hybrid automata; embedded systems; safety critical applications; safety cases; accident/safety analysis.

Rozier, Kristin Yvonne↗

NASA NTRSDate not supplied

Development of Luminescence Lifetime-Based Surface Temperature Mapping for Environmental Barrier Coatings

Luminescence lifetime-based temperature mapping for thermal barrier coatings (TBCs) has been previously demonstrated up to temperatures approaching 1200 °C. Advantages of this method include insensitivities to reflected radiation and emissivity uncertainties. Because of a push towards greater efficiency turbine engine operation using higher turbine inlet temperatures, there is an ongoing movement from TBC-coated superalloy turbine engine components to SiC/SiC ceramic matrix composite components protected by environmental barrier coatings (EBCs). The useful application of luminescence lifetime-based temperature mapping to EBCs requires a significant increase in high temperature capability from below 1200 °C up into the 1300 to 1500 °C temperature range where the much higher background thermal radiation is a challenging issue. In addition, the luminescing sensing layer must exhibit thermochemical compatibility with the EBC. To meet these requirements, Er-doped Y 2 SiO 5 was selected as the luminescing sensor layer material both for its enhanced temperature sensitivity above 1300 °C and its compatibility with rare-earth disilicate EBC topcoats. Both localized spot temperature measurements as well as luminescence lifetime imaging-based temperature mapping were demonstrated up to 1560 °C for Er-doped Y 2 SiO 5 disks. In addition, temperature mapping capability was demonstrated from a 15 µm thick Er-doped Y 2 SiO 5 layer at the surface of a Sc 2 Si 2 O 7 based EBC topcoat. Both localized spot and temperature mapping by luminescence lifetime imaging were demonstrated up to 1380 °C (upper temperature limit of this slurry-based layered EBC) with excellent suppression of background thermal radiation and no degradation of the Er-doped Y 2 SiO 5 temperature sensing surface layer. The source of the novel enhanced temperature sensitivity above 1300 °C will be discussed as well as a path towards compatibility between sensing layer and EBC topcoat to higher temperatures.

temperature measurement↗

NASA NTRS1974

Observations of the ratio of low-energy cosmic-ray positrons and electrons during solar quiet times

Simultaneous observations of the quiet-time interplanetary positron and electron spectra between 0.16 and 1.6 MeV are reported. The measurements were made in selected time intervals between October 1, 1972 and February 1, 1973 with the Caltech Electron/Isotope Spectrometer on the IMP-7 satellite. The detector system consists of a stack of 11 silicon surface-barrier detectors surrounded by a plastic scintillator anti-coincidence cup. The method of e+ identification and possible background effects are discussed and upper limits to the 0.16 to 1.6 MeV quiet-time positron flux are reported. During this period positrons amounted to less than 20% of the total 0.16 to 1.6 MeV electron flux.

Hurford, G. J.↗

NASA NTRS1980

Indirect microbial detection

Indirect method for detection of microbial growth utilizes flow of charged particles across barrier that physically separated growing cells from electrodes and measures resulting difference in potential between two platinum electrodes. Technique allows simplified noncontact monitoring of all growth in highly infectious cultures or in critical biochemical studies.

Wilkins, J. R.↗

NASA NTRS2003

New Method Developed To Purify Single Wall Carbon Nanotubes for Aerospace Applications

Single wall carbon nanotubes have attracted considerable attention because of their remarkable mechanical properties and electrical and thermal conductivities. Use of these materials as primary or secondary reinforcements in polymers or ceramics could lead to new materials with significantly enhanced mechanical strength and electrical and thermal conductivity. Use of carbon-nanotube-reinforced materials in aerospace components will enable substantial reductions in component weight and improvements in durability and safety. Potential applications for single wall carbon nanotubes include lightweight components for vehicle structures and propulsion systems, fuel cell components (bipolar plates and electrodes) and battery electrodes, and ultra-lightweight materials for use in solar sails. A major barrier to the successful use of carbon nanotubes in these components is the need for methods to economically produce pure carbon nanotubes in large enough quantities to not only evaluate their suitability for certain applications but also produce actual components. Most carbon nanotube synthesis methods, including the HiPCO (high pressure carbon monoxide) method developed by Smalley and others, employ metal catalysts that remain trapped in the final product. These catalyst impurities can affect nanotube properties and accelerate their decomposition. The development of techniques to remove most, if not all, of these impurities is essential to their successful use in practical applications. A new method has been developed at the NASA Glenn Research Center to purify gram-scale quantities of single wall carbon nanotubes. This method, a modification of a gas phase purification technique previously reported by Smalley and others, uses a combination of high-temperature oxidations and repeated extractions with nitric and hydrochloric acid. This improved procedure significantly reduces the amount of impurities (catalyst and nonnanotube forms of carbon) within the nanotubes, increasing their stability significantly. The onset of decomposition of the purified nanotubes (determined by thermal gravimetric analysis in air) is more than 300 C higher than that of the crude nanotubes. Transmission electron microscopy analysis of nanotubes purified by this method reveals near complete removal of iron catalyst particles. Analysis of the nanotubes using inductively coupled plasma spectroscopy revealed that the iron content of the nanotubes was reduced from 22.7 wt% in the crude nanotubes to less than 0.02 wt%. X-ray photoelectron spectroscopy revealed a decrease in iron content after purification as well as an increase in oxygen content due to the formation of carboxylic acid groups on the surface of the nanotubes. Nanotubes purified by this improved method can be readily dispersed in common organic solvents, in particular N,N-dimethylformamide, using prolonged ultrasonic treatment. These dispersions can then be used to incorporate single wall carbon nanotubes into polymer films.

Lebron, Marisabel↗