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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Copper availability governs nitrous oxide accumulation in wetland soils and stream sediments

Denitrification is microbially-mediated through enzymes containing metal cofactors. Laboratory studies of pure cultures have highlighted that the availability of Cu, required for the multicopper enzyme nitrous oxide reductase, can limit N2O reduction. However, in natural aquatic systems, such as wetlands and hyporheic zones in stream beds, the role of Cu in controlling denitrification remains incompletely understood. In this study, we collected soils and sediments from three natural environments -- riparian wetlands, marsh wetlands, and a stream -- to investigate their nitrogen species transformation activity at background Cu levels and different supplemented Cu loadings. All of the systems contained solid-phase associated Cu below or around geological levels (40 - 280 nmol g-1) and exhibited low dissolved Cu (3-50 nM), which made them appropriate sites for evaluating the effect of limited Cu availability on denitrification. In laboratory incubation experiments, high concentrations of N2O accumulated in all microcosms lacking Cu amendment except for one stream sediment sample. With Cu added to provide dissolved concentrations at trace levels (10-300 nM), reduction rate of N2O to N 2 in the wetland soils and stream sediments was enhanced. A kinetic model could account for the trends in nitrogen species by combining the reactions for microbial reduction of NO 3 - to NO 2 -/N 2 O/N 2 and abiotic reduction of NO 2 - to N 2 . The model revealed that the rate of N 2 O to N 2 conversion increased significantly in the presence of Cu. For riparian wetland soils and stream sediments, the kinetic model also suggested that overall denitrification is driven by abiotic reduction of NO2- in the presence of inorganic electron donors. This study demonstrated that natural aquatic systems containing Cu at concentrations less than or equal to crustal abundances may display incomplete reduction of N 2 O to N 2 that would cause N 2 O accumulation and release to the atmosphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Semiempirical hot atom theory. I - Initialization and application

A semiempirical approach to the modeling of the kinetics of reaction systems containing both hot and nonhot atoms is proposed. The approach is based on the probabilistic kinetic theory of hot-atom reactions formulated by Wolfgang (1963), with transmission probabilities estimated for a rectangular potential barrier for hot-atom and nonhot-atom reactions. A computational scheme for determining product concentrations following hot and nonhot reactions in a system containing photolytically produced hot atoms is then applied to the DBr + CH4 and HBr + CD4 hot hydrogen atom systems studied by Martin and Willard (1964), and good agreement is obtained between theoretical and experimental results.

Aronowitz, S.↗
DOE OSTI2020

Dynamical Classification of Trans-Neptunian Objects Detected by the Dark Energy Survey

The outer solar system contains a large number of small bodies (known as trans-Neptunian objects or TNOs) that exhibit diverse types of dynamical behavior. The classification of bodies in this distant region into dynamical classes—subpopulations that experience similar orbital evolution—aids in our understanding of the structure and formation of the solar system. In this work, we propose an updated dynamical classification scheme for the outer solar system. This approach includes the construction of a new (automated) method for identifying mean motion resonances. We apply this algorithm to the current data set of TNOs observed by the Dark Energy Survey (DES) and present a working classification for all of the DES TNOs detected to date. Our classification scheme yields 1 inner centaur, 19 outer centaurs, 21 scattering disk objects, 47 detached TNOs, 48 securely resonant objects, 7 resonant candidates, and 97 classical belt objects. Among the scattering and detached objects, we detect 8 TNOs with semimajor axes greater than 150 au.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Peptide nucleic acid Hoogsteen strand linker design for major groove recognition of DNA thymine bases

Sequence-specific targeting of double-stranded DNA and non-coding RNA via triple-helix-forming peptide nucleic acids (PNAs) has attracted considerable attention in therapeutic, diagnostic and nanotechnological fields. An E-base (3-oxo-2,3-dihydropyridazine), attached to the polyamide backbone of a PNA Hoogsteen strand by a side-chain linker molecule, is typically used in the hydrogen bond recognition of the 4-oxo group of thymine and uracil nucleic acid bases in the major groove. We report on the application of quantum chemical computational methods, in conjunction with spatial constraints derived from the experimental structure of a homopyrimidine PNA·DNA-PNA hetero-triplex, to investigate the influence of linker flexibility on binding interactions of the E-base with thymine and uracil bases in geometry-optimised model systems. Hydrogen bond formation between the N2 E-base atom and target pyrimidine base 4-oxo groups in model systems containing a β-alanine linker (J Am Chem Soc 119:11116, 1997) was found to incur significant internal strain energy and the potential disruption of intra-stand aromatic base stacking interactions in an oligomeric context. Additionally, in geometry-optimised model systems containing a 3-trans olefin linker (Bioorg Med Chem Lett 14:1551, 2004) the E-base swung out away from the target pyrimidine bases into the solvent. These findings are in qualitative agreement with calorimetric measurements in hybridisation experiments at T–A and U–A inversion sites. In contrast, calculations on a novel 2-cis olefin linker design indicate that it could permit simultaneous E-base hydrogen bonding with the thymine 4-oxo group, circumvention and solvent screening of the thymine 5-methyl group, and maintenance of triplex intra-stand base stacking interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Topological superconductivity in skyrmion lattices

Atomic manipulation and interface engineering techniques have provided an intriguing approach to custom-designing topological superconductors and the ensuing Majorana zero modes, representing a paradigm for the realization of topological quantum computing and topology-based devices. Magnet-superconductor hybrid (MSH) systems have proven to be experimentally suitable to engineer topological superconductivity through the control of both the complex structure of its magnetic layer and the interface properties of the superconducting surface. Here, we demonstrate that two-dimensional MSH systems containing a magnetic skyrmion lattice provide an unprecedented ability to control the emergence of topological phases. By changing the skyrmion radius, which can be achieved experimentally through an external magnetic field, one can tune between different topological superconducting phases, allowing one to explore their unique properties and the transitions between them. In these MSH systems, Josephson scanning tunneling spectroscopy spatially visualizes one of the most crucial aspects underlying the emergence of topological superconductivity, the spatial structure of the induced spin–triplet correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2014

Non-Flammable Containment Bag and Enclosure Development for International Space Station Use

Work conducted on the International Space Station (ISS) requires the use of a significant quantity of containment bags to hold specimens, equipment, waste, and other material. The bags are in many shapes and sizes, and are typically manufactured from polyethylene materials. The amount of bags being used on ISS has grown to the point where fire safety has become a concern because of the flammability of polyethylene. Recently, a new re‐sealable bag design has been developed that is manufactured from a specialized non‐flammable material called Armorflex 301 that was designed specifically for this application. Besides being non‐flammable, Armorflex 301 is also FDA compliant, clear, flexible, and damage tolerant. The bags can be made with closure mechanisms that resemble ZipLoc® bags, or can be open top. Sample bags have been laboratory tested by NASA to verify materials properties, and evaluated by astronauts on the ISS in 2012. Flexloc bag manufacturing will commence in 2014 to support a transition away from polyethylene on ISS. In addition to re‐sealable bags, other larger containment systems such as flexible gloveboxes, deployable clean rooms, and other devices manufactured from Armorflex 301 are being explored for use on ISS and in similar confined space locations where flammability is an issue. This paper will describe the development of the Armorflex 301 material, the Flexloc bag, and other containment systems being explored for use in confined areas

Inamdar, Sunil↗
NASA NTRS1972

Modular thermal analyzer routine, volume 1

The Modular Thermal Analyzer Routine (MOTAR) is a general thermal analysis routine with strong capabilities for performing thermal analysis of systems containing flowing fluids, fluid system controls (valves, heat exchangers, etc.), life support systems, and thermal radiation situations. Its modular organization permits the analysis of a very wide range of thermal problems for simple problems containing a few conduction nodes to those containing complicated flow and radiation analysis with each problem type being analyzed with peak computational efficiency and maximum ease of use. The organization and programming methods applied to MOTAR achieved a high degree of computer utilization efficiency in terms of computer execution time and storage space required for a given problem. The computer time required to perform a given problem on MOTAR is approximately 40 to 50 percent that required for the currently existing widely used routines. The computer storage requirement for MOTAR is approximately 25 percent more than the most commonly used routines for the most simple problems but the data storage techniques for the more complicated options should save a considerable amount of space.

Oren, J. A.↗
NASA NTRS2020

Comparing X-ray Color Selection in Separating X-ray Binary Classes using Color-Color-Intensity Diagrams

X-ray binaries exhibit a wide range of properties but there are few accepted methods to determine the nature of the compact object. Color-Color-Intensity diagrams have been suggested as a means of distinguishing between systems containing black holes from those containing neutron stars. However, this technique has been verified with data from only one instrument (RXTE/ASM) with a single set of X-ray colors defined using data available only in pre-determined energy bands. We test a selection of X-ray colors with a more sensitive instrument to determine the reliability of this method. We use data from the MAXI/Gas Slit Camera, which allows users to specify energy-bands. We test X-ray colors that have been previously defined in the literature as well as ones that we define specifically in this paper. A representative set of systems are used to construct Color-Color-Intensity diagrams in each set of colors to determine which are best for separating different classes. For studying individual sources certain bands are more effective than others. For a specified energy range, the separation of soft states in black hole binaries was possible only where both soft and hard colors included information from the lowest energy band. We confirm that Color-Color-Intensity diagrams can distinguish between systems containing black holes or neutron stars in all X-ray colors tested; this suggests an universality in the accretion processes governing these different classes. We suggest possible physical processes driving different classes of X-ray binaries to different locations in Color-Color-Intensity diagrams.

N Islam↗
NASA NTRS1996

Impact Properties of Metal Fan Containment Materials Being Evaluated for the High-Speed Civil Transport (HSCT)

Under the Enabling Propulsion Materials (EPM) program - a partnership between NASA, Pratt & Whitney, and GE Aircraft Engines - the Materials and Structures Divisions of the NASA Lewis Research Center are involved in developing a fan-containment system for the High-Speed Civil Transport (HSCT). The program calls for a baseline system to be designed by the end of 1995, with subsequent testing of innovative concepts. Five metal candidate materials are currently being evaluated for the baseline system in the Structures Division's Ballistic Impact Facility. This facility was developed to provide the EPM program with cost-efficient and timely impact test data. At the facility, material specimens are impacted at speeds up to 350 m/sec by projectiles of various sizes and shapes to assess the specimens' ability to absorb energy and withstand impact. The tests can be conducted at either room or elevated temperatures. Posttest metallographic analysis is conducted to improve understanding of the failure modes. A dynamic finite element program is used to simulate the events and both guide the testing as well as aid in designing the fan-containment system.

Source record↗
DOE OSTI2024

Extending GPU-accelerated Gaussian integrals in the TeraChem software package to f type orbitals: Implementation and applications

Here, the increasing availability of graphics processing units (GPUs) for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. However, the complexity of integral kernels for high angular momentum basis functions often limits the utility of GPU implementations with large basis sets or for metal containing systems. In this work, we report the implementation of f function support in the GPU-accelerated TeraChem software package through the development of efficient kernels for the evaluation of Hamiltonian integrals. The high efficiency of the resulting code is demonstrated through density functional theory (DFT) calculations on increasingly large organic molecules and transition metal complexes, as well as coupled cluster singles and doubles calculations on water clusters. Preliminary investigations into Ni(I) catalysis with DFT and the photochemistry of MnH(CH 3 ) with complete active space self-consistent field are also carried out. Overall, our GPU-accelerated software appears to be well-suited for fast simulation of large transition metal containing systems, as well as organic molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Weight Assessment for Fuselage Shielding on Aircraft With Open-Rotor Engines and Composite Blade Loss

The Federal Aviation Administration (FAA) has been engaged in discussions with airframe and engine manufacturers concerning regulations that would apply to new technology fuel efficient "openrotor" engines. Existing regulations for the engines and airframe did not envision features of these engines that include eliminating the fan blade containment systems and including two rows of counter-rotating blades. Damage to the airframe from a failed blade could potentially be catastrophic. Therefore the feasibility of using aircraft fuselage shielding was investigated. In order to establish the feasibility of this shielding, a study was conducted to provide an estimate for the fuselage shielding weight required to provide protection from an open-rotor blade loss. This estimate was generated using a two-step procedure. First, a trajectory analysis was performed to determine the blade orientation and velocity at the point of impact with the fuselage. The trajectory analysis also showed that a blade dispersion angle of 3deg bounded the probable dispersion pattern and so was used for the weight estimate. Next, a finite element impact analysis was performed to determine the required shielding thickness to prevent fuselage penetration. The impact analysis was conducted using an FAA-provided composite blade geometry. The fuselage geometry was based on a medium-sized passenger composite airframe. In the analysis, both the blade and fuselage were assumed to be constructed from a T700S/PR520 triaxially-braided composite architecture. Sufficient test data on T700S/PR520 is available to enable reliable analysis, and also demonstrate its good impact resistance properties. This system was also used in modeling the surrogate blade. The estimated additional weight required for fuselage shielding for a wing- mounted counterrotating open-rotor blade is 236 lb per aircraft. This estimate is based on the shielding material serving the dual use of shielding and fuselage structure. If the shielding material is not used for dual purpose, and is only used for shielding, then the additional weight per aircraft is estimated to be 428 lb. This weight estimate is based upon a number of assumptions that would need to be revised when applying this concept to an actual airplane design. For example, the weight savings that will result when there is no fan blade containment system, manufacturing limitations which may increase the weight where variable thicknesses was assumed, engine placement on the wing versus aft fuselage, etc.

aircraft safety↗
NASA NTRS1989

Evaluation of atomic oxygen resistant protective coatings for fiberglass-epoxy composites in LEO

Fiberglass-epoxy composite masts are the prime structural members for the Space Station Freedom solar array. At the altitude where Space Station Freedom will operate, atomic oxygen atoms are the most predominant species. Atomic oxygen is highly reactive and has been shown to oxidize organic and some metallic materials. Tests with random and directed atomic oxygen exposure have shown that the epoxy is removed from the composite exposing brittle glass fibers which could be easily removed from the surface where they could contaminate Space Station Freedom Systems. Protection or fiber containment systems; inorganic based paints, aluminum braid, and a metal coating; were evaluated for resistance to atomic oxygen, vacuum ultraviolet radiation, thermal cycling, and mechanical flexing. All appeared to protect well against atomic oxygen and provide fiber containment except for the single aluminum braid covering. UV radiation resistance was acceptable and in general, thermal cycling and flexure had little to no effect on the mass loss rate for most coatings.

Rutledge, Sharon K.↗
NASA NTRS1989

Evaluation of atomic oxygen resistant protective coatings for fiberglass-epoxy composites in LEO

Fiberglass-epoxy composite masts are the prime structural members for the Space Station Freedom solar array. At the altitude where Space Station Freedom will operate, atomic oxygen atoms are the most predominant species. Atomic oxygen is highly reactive and has been shown to oxidize organic and some metallic materials. Tests with random and directed atomic oxygen exposure have shown that the epoxy is removed from the composite exposing brittle glass fibers which could be easily removed from the surface where they could contaminate space Station Freedom Systems. Protection or fiber containment systems, inorganic based paints, aluminum braid, and a metal coatinsg, were evaluated for resistance to atomic oxygen, vacuum ultraviolet radiation, thermal cycling, and mechanical flexing. All appeared to protect well against atomic oxygen and provide fiber containment except for the single aluminum braid covering. UV radiation resistance was acceptable and in general, thermal cycling and flexure had little to no effect on the mass loss rate for most coatings.

Rutledge, Sharon K.↗
DOE OSTI2020

Multiple dye interactions in plastic scintillators: Effects on pulse shape discrimination

The scintillation process in plastic scintillators has been studied with mixed systems containing high concentrations of multiple fluorescence dyes. It has been shown that the triplet–triplet interaction phenomena leading to the production of delayed light and pulse shape discrimination (PSD) can vary depending on the triplet energies of the interacting dyes. At small differences between the first excited triplet state energies, found to be below 0.1 eV, a pair of interacting dyes of different molecular species can be involved in heterogeneous excitation migration and triplet–triplet annihilation that result in the enhancement of delayed light and PSD, due to the engagement of both dyes in the process. At differences above 0.27 eV, excitation trapping on the lower energy triplet molecules leads to conditions when triplet–triplet migration and annihilation can proceed only homogeneously between molecules of the same species. The results explain the different effects produced by the selection of fluorescent dyes in previously reported PSD systems containing one primary and one secondary dyes. They also demonstrate a non-traditional approach to the design of new plastic scintillators with multiple dyes that, at improved scintillation and PSD performance, may simplify the production process.

36 MATERIALS SCIENCE↗
NASA NTRS1999

An Overview of the Thermal Challenges of Designing Microgravity Furnaces

In the last few years, Marshall Space Flight Center has become heavily involved in a wide variety of microgravity projects that require furnaces, with hot zone temperatures ranging from 300 C to 2300 C, requirements for isothermal and gradient processing, and both semi-conductor and metal materials. On these types of projects, the thermal engineer is a key player in the design process. These furnaces present unique challenges to the thermal designer. One challenge is designing a sample containment system that achieves dual containment, yet allows a high radial heat flux. Another challenge is providing a high axial gradient but a very low radial gradient. These furnaces also present unique challenges to the thermal analyst. First, there are several orders of magnitude difference in the size of the thermal "conductors" between various parts of the model. A second challenge is providing high fidelity in the sample model, and connecting the sample with the rest of the furnace model, yet maintaining some sanity in the number of total nodes in the model. The purpose of this paper is to present an overview of the challenges involved in designing and analyzing microgravity furnaces and how some of these challenges have been overcome. The thermal analysis tools presently used to analyze microgravity furnaces and how they have been applied will be explained. Challenges for the future and a description of future analysis tools will be given.

Westra, Douglas G.↗
NASA NTRS2001

Solar-Thermal Engine Testing

A solar-thermal engine serves as a high-temperature solar-radiation absorber, heat exchanger, and rocket nozzle. collecting concentrated solar radiation into an absorber cavity and transferring this energy to a propellant as heat. Propellant gas can be heated to temperatures approaching 4,500 F and expanded in a rocket nozzle, creating low thrust with a high specific impulse (I(sub sp)). The Shooting Star Experiment (SSE) solar-thermal engine is made of 100 percent chemical vapor deposited (CVD) rhenium. The engine 'module' consists of an engine assembly, propellant feedline, engine support structure, thermal insulation, and instrumentation. Engine thermal performance tests consist of a series of high-temperature thermal cycles intended to characterize the propulsive performance of the engines and the thermal effectiveness of the engine support structure and insulation system. A silicone-carbide electrical resistance heater, placed inside the inner shell, substitutes for solar radiation and heats the engine. Although the preferred propellant is hydrogen, the propellant used in these tests is gaseous nitrogen. Because rhenium oxidizes at elevated temperatures, the tests are performed in a vacuum chamber. Test data will include transient and steady state temperatures on selected engine surfaces, propellant pressures and flow rates, and engine thrust levels. The engine propellant-feed system is designed to Supply GN2 to the engine at a constant inlet pressure of 60 psia, producing a near-constant thrust of 1.0 lb. Gaseous hydrogen will be used in subsequent tests. The propellant flow rate decreases with increasing propellant temperature, while maintaining constant thrust, increasing engine I(sub sp). In conjunction with analytical models of the heat exchanger, the temperature data will provide insight into the effectiveness of the insulation system, the structural support system, and the overall engine performance. These tests also provide experience on operational aspects of the engine and associated subsystems, and will include independent variation of both steady slate heat-exchanger temperature prior to thrust operation and nitrogen inlet pressure (flow rate) during thrust operation. Although the Shooting Star engines were designed as thermal-storage engines to accommodate mission parameters, they are fully capable of operating as scalable, direct-gain engines. Tests are conducted in both operational modes. Engine thrust and propellant flow rate will be measured and thereby I(sub sp). The objective of these tests is to investigate the effectiveness of the solar engine as a heat exchanger and a rocket. Of particular interest is the effectiveness of the support structure as a thermal insulator, the integrity of both the insulation system and the insulation containment system, the overall temperature distribution throughout the engine module, and the thermal power required to sustain steady state fluid temperatures at various flow rates.

Tucker, Stephen↗