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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Potential surfaces for O atom-polymer reactions

Ab initio quantum chemistry methods are used to study the energetics of interactions of O atoms with organic compounds. Polyethylene (CH2)n has been chosen as the model system to study the interactions of O(3P) and O(1D) atoms with polymers. In particular, H abstraction is investigated and polyethylene is represented by a C3 (propane) oligomeric model. The gradient method, as implemented in the GRADSCF package of programs, is used to determine the geometries and energies of products and reactants. The saddle point, barrier geometry is determined by minimizing the squares of the gradients of the potential with respect to the internal coordinates. To correctly describe the change in bonding during the reaction at least a two configuration MCSCF (multiconfiguration self consistent field) or GVB (generalized valence bond) wave function has to be used. Basis sets include standard Pople and Dunning sets, however, increased with polarization functions and diffuse p functions on both the C and O atoms. The latter is important due to the O(-) character of the wave function at the saddle point and products. Normal modes and vibrational energy levels are given for the reactants, saddle points and products. Finally, quantitative energetics are obtained by implementing a small CAS (complete active space) approach followed by limited configuration interaction (CI) calculations. Comparisons are made with available experimental data.

Laskowski, B. C.↗
NASA NTRS1988

Toward improved durability in advanced aircraft engine hot sections; Proceedings of the Thirty-third ASME International Gas Turbine and Aeroengine Congress and Exposition, Amsterdam, Netherlands, June 5-9, 1988

The present conference on durability improvement methods for advanced aircraft gas turbine hot-section components discusses NASA's 'HOST' project, advanced high-temperature instrumentation for hot-section research, the development and application of combustor aerothermal models, and the evaluation of a data base and numerical model for turbine heat transfer. Also discussed are structural analysis methods for gas turbine hot section components, fatigue life-prediction modeling for turbine hot section materials, and the service life modeling of thermal barrier coatings for aircraft gas turbine engines.

Sokolowski, Daniel E.↗
NASA NTRS1987

Imaginary time path integral Monte Carlo route to rate coefficients for nonadiabatic barrier crossing

Nonadiabatic transitions are central to many areas of chemical and condensed matter physics, ranging from biological electron transfer to the optical properties of one-dimensional conductors. Here, a path integral Monte Carlo method is used to simulate such transitions, based on the observation that nonadiabatic rate coefficients are often dominated by saddle point trajectories that correspond to an imaginary time. Simple analytic theories can be used to continue these imaginary time correlation functions to determine rate coefficients. The advantages and drawbacks of this approach are discussed.

Wolynes, Peter G.↗
NASA NTRS1997

Enabling Propulsion Materials (EPM) Structural Component Successfully Tested Under Pseudo-Operating Conditions

A fabrication feasibility demonstration component for the Enabling Propulsion Materials (EPM) program was evaluated under prototypical engine loading conditions at the Structural Benchmark Test Facility at the NASA Lewis Research Center. The purpose for this test was to verify EPM casting, joining, coating, and life-prediction methods. Electron beam welding techniques developed in the EPM program were used to join two large superalloy cast sections of an exhaust nozzle flap to fabricate the demonstration component. After the joints were inspected, the component was coated with an oxidation-resistant barrier coating and was sent to Lewis for testing. The special test fixture shown in the photo (the Structural Benchmark Test Facility) was designed and built at Lewis to produce a biaxial bending condition similar to the loading condition this part would encounter during engine operation. Several finite element analyses were conducted to validate the mechanical test method. A floating furnace was then designed to provide prototypical thermal profiles in the component. An isothermal low-cycle fatigue test was used to evaluate the component at a cyclic load of 13 kN (maximum) to 1 kN (minimum) at a frequency of 1 Hz. Component failure was defined as a 30-percent increase in the component's compliance. On the basis of this definition, the low-cycle fatigue life of this component would be 35,000 cycles.

Bartolotta, Paul A.↗
NASA NTRS1992

Progress on single barrier varactors for submillimeter wave power generation

Theoretical work on Single Barrier Varactor (SBV) diodes, indicate that the efficiency for a multiplier has a maximum for a considerably smaller capacitance variation than previously thought. The theoretical calculations are performed, both with a simple theoretical model and a complete computer simulation using the method of harmonic balance. Modeling of the SBV is carried out in two steps. First, the semiconductor transport equations are solved simultaneously using a finite difference scheme in one dimension. Secondly, the calculated I-V, and C-V characteristics are input to a multiplier simulator which calculates the optimum impedances, and output powers at the frequencies of interest. Multiple barrier varactors can also be modeled in this way. Several examples on how to design the semiconductor layers to obtain certain characteristics are given. The calculated conversion efficiencies of the modeled structures, in a multiplier circuit, are also presented. Computer simulations for a case study of a 750 GHz multiplier show that InAs diodes perform favorably compared to GaAs diodes. InAs and InGaAs SBV diodes have been fabricated and their current vs. voltage characteristics are presented. In the InAs diode, was the large bandgap semiconductor AlSb used as barrier. The InGaAs diode was grown lattice matched to an InP substrate with InAlAs as a barrier material. The current density is greatly reduced for these two material combinations, compared to that of GaAs/AlGaAs SBV diodes. GaAs based diodes can be biased to higher voltages than InAs diodes.

Nilsen, Svein M.↗
NASA NTRS1993

Ion acceleration in impulsive solar flares

Nonrelativistic spectra of protons and ions accelerated in impulsive solar flares are derived using more realistic turbulence power spectra. The calculation is based on a particle transport equation extracted from a second step acceleration model containing stochastic acceleration. The turbulence model is generalized to waves with a small angle to the magnetic field vector and to turbulence power spectra with spectral indices s smaller than 2. Due to the occurrence of impulsive flares at low coronal heights, Coulomb losses at the dense coronal plasma and diffusive particle escape are taken into account. The ion spectra show deviations from long-duration spectra near the Coulomb barrier, where the losses become maximal. The Z-squared/A-dependence of the Coulomb losses leads to spectral variations for different ions. We present a method to estimate the turbulence parameters and injection conditions of the flare particles using ion ratios like Fe/O of impulsive flares.

Steinacker, Jurgen↗
NASA NTRS2009

Nanotunneling Junction-based Hyperspectal Polarimetric Photodetector and Detection Method

A photodetector, detector array, and method of operation thereof in which nanojunctions are formed by crossing layers of nanowires. The crossing nanowires are separated by a few nm thick electrical barrier layer which allows tunneling. Each nanojunction is coupled to a slot antenna for efficient and frequency-selective coupling to photo signals. The nanojunctions formed at the intersection of the crossing wires defines a vertical tunneling diode that rectifies the AC signal from a coupled antenna and generates a DC signal suitable for reforming a video image. The nanojunction sensor allows multi/hyper spectral imaging of radiation within a spectral band ranging from terahertz to visible light, and including infrared (IR) radiation. This new detection approach also offers unprecedented speed, sensitivity and fidelity at room temperature.

Son, Kyung-ah↗
NASA NTRS2011

Kinetic Monte Carlo Simulation of Oxygen and Cation Diffusion in Yttria-Stabilized Zirconia

Yttria-stabilized zirconia (YSZ) is of interest to the aerospace community, notably for its application as a thermal barrier coating for turbine engine components. In such an application, diffusion of both oxygen ions and cations is of concern. Oxygen diffusion can lead to deterioration of a coated part, and often necessitates an environmental barrier coating. Cation diffusion in YSZ is much slower than oxygen diffusion. However, such diffusion is a mechanism by which creep takes place, potentially affecting the mechanical integrity and phase stability of the coating. In other applications, the high oxygen diffusivity of YSZ is useful, and makes the material of interest for use as a solid-state electrolyte in fuel cells. The kinetic Monte Carlo (kMC) method offers a number of advantages compared with the more widely known molecular dynamics simulation method. In particular, kMC is much more efficient for the study of processes, such as diffusion, that involve infrequent events. We describe the results of kinetic Monte Carlo computer simulations of oxygen and cation diffusion in YSZ. Using diffusive energy barriers from ab initio calculations and from the literature, we present results on the temperature dependence of oxygen and cation diffusivity, and on the dependence of the diffusivities on yttria concentration and oxygen sublattice vacancy concentration. We also present results of the effect on diffusivity of oxygen vacancies in the vicinity of the barrier cations that determine the oxygen diffusion energy barriers.

Good, Brian↗
NASA NTRS2026

Computational Materials for Qualification and Certification (CM4QC) Strategy Document: Maturation of Computational Materials Methods for Aviation-Focused Qualification and Certification of Metal Additive Manufacturing (as an Example of Process-Intensive Materials)

Although considerable scientific and technological advances have been made in recent years in additive manufacturing (AM) processes, these advances have not translated into significant market penetration of AM parts within the aviation industry. It is broadly acknowledged that using traditional qualification and certification (Q&C) approaches for AM components is one of the most significant barriers to broader adoption of AM, resulting in high costs, long product development and certification timelines, and complex design iterations during the product development cycle. A new approach is urgently needed. This document lays out a vision for a new Q&C paradigm with increased use of computational materials (CM) methods aimed at decreasing the time and cost of Q&C of process-intensive material (PIM) approaches in the aviation industry, with AM as the immediate use case. This vision was developed with substantial input from industry, regulatory agencies, government research organizations, and academia.

Edward H Glaessgen↗
NASA NTRS2008

Miniaturized metal (metal alloy)/ PdO.sub.x/SiC hydrogen and hydrocarbon gas sensors

A miniaturized Schottky diode hydrogen and hydrocarbon sensor and the method of making same is disclosed and claimed. The sensor comprises a catalytic metal layer, such as palladium, a silicon carbide substrate layer and a thin barrier layer in between the catalytic and substrate layers made of palladium oxide (PdO.sub.x). This highly stable device provides sensitive gas detection at temperatures ranging from at least 450 to 600.degree. C. The barrier layer prevents reactions between the catalytic metal layer and the substrate layer. Conventional semiconductor fabrication techniques are used to fabricate the small-sized sensors. The use of a thicker palladium oxide barrier layer for other semiconductor structures such as a capacitor and transistor structures is also disclosed.

Hunter, Gary W.↗
NASA NTRS2008

Miniaturized Metal (Metal Alloy)/PdO(x)/SiC Hydrogen and Hydrocarbon Gas Sensors

A miniaturized Schottky diode hydrogen and hydrocarbon sensor and the method of making same is disclosed and claimed. The sensor comprises a catalytic metal layer, such as palladium, a silicon carbide substrate layer and a thin barrier layer in between the catalytic and substrate layers made of palladium oxide (PdO(x)). This highly stable device provides sensitive gas detection at temperatures ranging from at least 450 to 600 C. The barrier layer prevents reactions between the catalytic metal layer and the substrate layer. Conventional semiconductor fabrication techniques are used to fabricate the small-sided sensors. The use of a thicker palladium oxide barrier layer for other semiconductor structures such as a capacitor and transistor structures is also disclosed.

Hunter, Gary W.↗
NASA NTRS2011

Miniaturized metal (metal alloy)/ PdO.sub.x/SiC hydrogen and hydrocarbon gas sensors

A miniaturized Schottky diode hydrogen and hydrocarbon sensor and the method of making same is disclosed and claimed. The sensor comprises a catalytic metal layer, such as palladium, a silicon carbide substrate layer and a thin barrier layer in between the catalytic and substrate layers made of palladium oxide (PdO.sub.x ). This highly stable device provides sensitive gas detection at temperatures ranging from at least 450 to 600.degree. C. The barrier layer prevents reactions between the catalytic metal layer and the substrate layer. Conventional semiconductor fabrication techniques are used to fabricate the small-sized sensors. The use of a thicker palladium oxide barrier layer for other semiconductor structures such as a capacitor and transistor structures is also disclosed.

Hunter, Gary W.↗
NASA NTRS2014

Vapor-barrier Vacuum Isolation System

A system includes a collimated beam source within a vacuum chamber, a condensable barrier gas, cooling material, a pump, and isolation chambers cooled by the cooling material to condense the barrier gas. Pressure levels of each isolation chamber are substantially greater than in the vacuum chamber. Coaxially-aligned orifices connect a working chamber, the isolation chambers, and the vacuum chamber. The pump evacuates uncondensed barrier gas. The barrier gas blocks entry of atmospheric vapor from the working chamber into the isolation chambers, and undergoes supersonic flow expansion upon entering each isolation chamber. A method includes connecting the isolation chambers to the vacuum chamber, directing vapor to a boundary with the working chamber, and supersonically expanding the vapor as it enters the isolation chambers via the orifices. The vapor condenses in each isolation chamber using the cooling material, and uncondensed vapor is pumped out of the isolation chambers via the pump.

Weinstein, Leonard M.↗
NASA NTRS1982

On the cause of the flat-spot phenomenon observed in silicon solar cells at low temperatures and low intensities

A model that explains the flat-spot power loss phenomenon is presented. Evidence suggests that the effect is due to localized metallurgical interactions between the silicon substrate and the contact metallization. These reactions are shown to result in localized regions in which the P-N junction is destroyed and replaced with a metal semiconductor-like interface. The effects of thermal treatment, crystallographic orientation, junction depth, and metallization are shown along with a method of preventing the effect through the suppression of vacancy formation at the free surface of the contact metallization. Data indicating the effectiveness of a TiN diffusion barrier in preventing the effect are also given.

Weizer, V. G.↗
NASA NTRS1987

Full CI studies of the collinear transition state for the reaction F + H2 yields HF + H

Full CI calculations on the collinear transition state for the reaction F + H2 yields HF + H are reported. The full CI results are compared with those obtained from single-reference and multireference CI calculations and from single-reference CPF calculations. In general, only those methods which attempt to account for the effects of higher excitations, such as CPF or CI plus the Davidson correction, yield a transition-state location and barrier height in good agreement with the full CI. In an extended basis, the effect of higher excitations is estimated to lower the barrier by as much as 1.5 kcal/mol; such an effect would essentially eliminate the present discrepancy between theory and experiment.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1992

Method for producing edge geometry superconducting tunnel junctions utilizing an NbN/MgO/NbN thin film structure

A method for fabricating an edge geometry superconducting tunnel junction device is discussed. The device is comprised of two niobium nitride superconducting electrodes and a magnesium oxide tunnel barrier sandwiched between the two electrodes. The NbN electrodes are preferably sputter-deposited, with the first NbN electrode deposited on an insulating substrate maintained at about 250 C to 500 C for improved quality of the electrode.

Hunt, Brian D.↗
NASA NTRS1991

Method and apparatus for increasing resistance of bipolar buried layer integrated circuit devices to single-event upsets

Bipolar transistors fabricated in separate buried layers of an integrated circuit chip are electrically isolated with a built-in potential barrier established by doping the buried layer with a polarity opposite doping in the chip substrate. To increase the resistance of the bipolar transistors to single-event upsets due to ionized particle radiation, the substrate is biased relative to the buried layer with an external bias voltage selected to offset the built-in potential just enough (typically between about +0.1 to +0.2 volt) to prevent an accumulation of charge in the buried-layer-substrate junction.

Zoutendyk, John A.↗
NASA NTRS1982

On the cause of the flat-spot phenomenon observed in silicon solar cells at low temperatures and low intensities

A model is presented that explains the "flat-spot" (FS) power loss phenomenon observed in silicon solar cells operating deep space (low temperature, low intensity) conditions. Evidence is presented suggesting that the effect is due to localized metallurgical interactions between the silicon substrate and the contact metallization. These reactions are shown to result in localized regions in which the PN junction is destroyed and replaced with a metal-semiconductor-like interface. The effects of thermal treatment, crystallographic orientation, junction depth, and metallurization are presented along with a method of preventing the effect through the suppression of vacancy formation at the free surface of the contact metallization. Preliminary data indicating the effectiveness of a TiN diffusion barrier in preventing the effect are also given.

Weizer, V. G.↗