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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A comparative study of the effectiveness of empirical potentials for molecular dynamics simulations of borosilicate glasses

Despite their practical importance, atomistic modeling of B 2 O 3 containing glasses have been challenging due to the lack of reliable empirical potentials. Fortunately, a few recent developments have shown promises to simulate these glasses where the boron coordination has complex and non-linear dependence on glass composition. This work aims to provide an evaluation of the effectiveness of three recently developed potentials by a systematic study of a series (~20) of sodium borosilicate glasses with constant K (ratio of [SiO 2 ]/[B 2 O 3 ]) =2 and varying R (ratio of [Na 2 O]/[B 2 O 3 ] ranging from 0.1 to 4) values and several sodium boroaluminosilicate glasses. A comparative assessment was established on the basis of the short- and medium-range structure features, such as boron N 4 values, total correlation functions, bond angle distribution, oxygen speciation, and mechanical properties using experimental or well-established models as criteria. Furthermore, this work provides insights on the choices of empirical potentials for MD simulations of borosilicate glasses and gives directions of future potential development and refining.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Challenges with vitrification of Hanford High-Level Waste (HLW) to borosilicate glass – An overview

The Hanford site in Washington State houses ~56 million gallons of radioactive wastes stored in 177 underground tanks. The waste must be immobilized and permanently stored, and the plan is to separate the tank wastes into low activity waste (LAW) and high-level waste (HLW) streams. The U.S. Department of Energy is building a Waste Treatment and Immobilization Plant at Hanford site to separately vitrify these two waste streams in borosilicate glass using Joule-heated ceramic melters (JHCM). Although the process of nuclear waste vitrification seems to be well established, in practicality, it is faced with complex problems starting from the design of glass compositions, to processing in melters and long-term performance of the final vitrified waste forms. The article presents an overview of our current understanding of critical challenges related to the development and performance of HLW glasses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

A tale of two planets: Disparate evolutionary models for Mars inferred from radiogenic isotope compositions of Martian meteorites

The radiogenic isotopic compositions of basaltic Martian meteorites (shergottites) and clinopyroxene/olivine cumulate meteorites (nakhlite/chassignites) are used to define the global evolution of Mars. However, the two main groups of meteorites demonstrate that their sources underwent divergent styles of magmatic evolution. The shergottites portray a planet that differentiated ~4.52 billion years ago via solidification of a magma ocean, producing incompatible element-depleted and -enriched reservoirs that remained isolated until melt production. In contrast, the reservoir from which the nakhlite/chassignites derive may have formed earlier, produced melts that fractionated Sm/Nd and Hf/W differently, was compositionally less variable, and experienced a significantly more complex history following primordial differentiation than the shergottite sources. The disparate histories recorded by these two groups of meteorites elucidate important questions that could be addressed by acquiring additional samples. Obtaining samples that shared the isotopic systematics of the shergottites would provide confidence that extrapolating the primordial differentiation history of Mars from shergottite radiogenic isotope systematics is reasonable. Returned samples from Mars will also constrain the physical locations of the meteorite source regions, providing insights into the general structure of the Martian mantle. In addition, they will help constrain the phases present in the martian mantle during melting and the conditions under which they are stable. Finally, identifying an evolved lithology that satisfies the geochemical and isotopic constraints placed on the incompatible element-enriched endmember observed in the shergottites would define the nature of magmatic evolution on Mars and whether it is more akin to processes on the Earth or the Moon.

Mars↗
DOE OSTI2024

Phylogenetic distribution and experimental characterization of corrinoid production and dependence in soil bacterial isolates

Abstract Soil microbial communities impact carbon sequestration and release, biogeochemical cycling, and agricultural yields. These global effects rely on metabolic interactions that modulate community composition and function. However, the physicochemical and taxonomic complexity of soil and the scarcity of available isolates for phenotypic testing are significant barriers to studying soil microbial interactions. Corrinoids—the vitamin B12 family of cofactors—are critical for microbial metabolism, yet they are synthesized by only a subset of microbiome members. Here, we evaluated corrinoid production and dependence in soil bacteria as a model to investigate the ecological roles of microorganisms involved in metabolic interactions. We isolated and characterized a taxonomically diverse collection of 161 soil bacteria from a single study site. Most corrinoid-dependent bacteria in the collection prefer B12 over other corrinoids, while all tested producers synthesize B12, indicating metabolic compatibility between producers and dependents in the collection. Furthermore, a subset of producers release B12 at levels sufficient to support dependent isolates in laboratory culture at estimated ratios of up to 1000 dependents per producer. Within our isolate collection, we did not find strong phylogenetic patterns in corrinoid production or dependence. Upon investigating trends in the phylogenetic dispersion of corrinoid metabolism categories across sequenced bacteria from various environments, we found that these traits are conserved in 47 out of 85 genera. Together, these phenotypic and genomic results provide evidence for corrinoid-based metabolic interactions among bacteria and provide a framework for the study of nutrient-sharing ecological interactions in microbial communities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

ftmsRanalysis: An R package for exploratory data analysis and interactive visualization of FT-MS data

The high-resolution and mass accuracy of Fourier transform mass spectrometry (FT-MS) has made it an increasingly popular technique for discerning the composition of soil, plant and aquatic samples containing complex mixtures of proteins, carbohydrates, lipids, lignins, hydrocarbons, phytochemicals and other compounds. Thus, there is a growing demand for informatics tools to analyze FT-MS data that will aid investigators seeking to understand the availability of carbon compounds to biotic and abiotic oxidation and to compare fundamental chemical properties of complex samples across groups. We present ftmsRanalysis, an R package which provides an extensive collection of data formatting and processing, filtering, visualization, and sample and group comparison functionalities. The package provides a suite of plotting methods and enables expedient, flexible and interactive visualization of complex datasets through functions which link to a powerful and interactive visualization user interface, Trelliscope. Example analysis using FT-MS data from a soil microbiology study demonstrates the core functionality of the package and highlights the capabilities for producing interactive visualizations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Probing interspecies metabolic interactions within a synthetic binary microbiome using genome-scale modeling

Metabolic interactions within a microbial community play a key role in determining the structure, function, and composition of the community. However, due to the complexity and intractability of natural microbiomes, limited knowledge is available on interspecies interactions within a community. In this work, using a binary synthetic microbiome, a methanotroph-photoautotroph (M-P) coculture, as the model system, we examined different genome-scale metabolic modeling (GEM) approaches to gain a better understanding of the metabolic interactions within the coculture, how they contribute to the enhanced growth observed in the coculture, and how they evolve over time. Using batch growth data of the model M-P coculture, we compared three GEM approaches for microbial communities. Two of the methods are existing approaches: SteadyCom, a steady state GEM, and dynamic flux balance analysis (DFBA) Lab, a dynamic GEM. We also proposed an improved dynamic GEM approach, DynamiCom, for the M-P coculture. SteadyCom can predict the metabolic interactions within the coculture but not their dynamic evolutions; DFBA Lab can predict the dynamics of the coculture but cannot identify interspecies interactions. DynamiCom was able to identify the cross-fed metabolite within the coculture, as well as predict the evolution of the interspecies interactions over time. A new dynamic GEM approach, DynamiCom, was developed for a model M-P coculture. Constrained by the predictions from a validated kinetic model, DynamiCom consistently predicted the top metabolites being exchanged in the M-P coculture, as well as the establishment of the mutualistic N-exchange between the methanotroph and cyanobacteria. The interspecies interactions and their dynamic evolution predicted by DynamiCom are supported by ample evidence in the literature on methanotroph, cyanobacteria, and other cyanobacteria-heterotroph cocultures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Chemical Imaging with Cluster Ion Beams and Lasers

The objective of this Department of Energy project has been to create a novel nanoscale three-dimensional molecule-specific imaging capability for characterization of a wide range of materials. Specific accomplishments are (1) demonstrated the generality of strong field ionization using femtosecond IR pulsed lasers to post-ionize sputtered molecules with the least amount of induced fragmentation, (2) constructed a novel multi-pass optic to more effectively sample the ablation plume created by the cluster ion beam, (3) utilized the chemistry of gas cluster ion beams containing 1000 – 10000 species to improve desorption ionization efficiency and probe the mechanism of this phenomenon using SFI, (4) for the first time, allowed images to be acquired quantitatively by separating the desorption step from the ionization step and characterizing complex multicomponent and multilayer structures. A critical part of this research has been to (1) demonstrate the unique capabilities of our technology by unraveling the architecture of complex aerosol particles with heterogeneous in-depth compositions and (2) to reveal the distribution of hydrocarbons and long chain fatty acids in b. braunii algal colonies at the single cell level, and elucidate the mechanism of hydrocarbon excretion. In general this major jump in 3-dimensional imaging capability is leading to applications in many areas of energy-related research that have heretofore remained insoluble.

3-dimensional chemical imaging↗
DOE OSTI2018

Improved Tools for the Turning of Complex Surfaces

The low cutter productivity in the turning of complex discontinuous surfaces is analyzed. New tools with composite cutters are proposed. Thanks to the cutter configuration with respect to the machined surface, the consequences of tool impact on insertion in the workpiece may be minimized.

42 ENGINEERING↗
DOE OSTI2018

A Closure Study of Total Scattering Using Airborne In Situ Measurements from the Winter Phase of TCAP

We examine the performance of our approach for calculating the total scattering coefficient of both non-absorbing and absorbing aerosol at ambient conditions from aircraft data. Our extended examination involves airborne in situ data collected by the U.S. Department of Energy’s (DOE) Gulf Stream 1 aircraft during winter over Cape Cod and the western North Atlantic Ocean as part of the Two-Column Aerosol Project (TCAP). The particle population represented by the winter dataset, in contrast with its summer counterpart, contains more hygroscopic particles and particles with an enhanced ability to absorb sunlight due to the larger fraction of black carbon. Moreover, the winter observations are characterized by more frequent clouds and a larger fraction of super-micron particles. We calculate model total scattering coefficient at ambient conditions using size spectra measured by optical particle counters (OPCs) and ambient complex refractive index (RI) estimated from measured chemical composition and relative humidity (RH). We demonstrate that reasonable agreement (~20% on average) between the observed and calculated scattering can be obtained under subsaturated ambient conditions (RH < 80%) by applying both screening for clouds and chemical composition data for the RI-based correction of the OPC-derived size spectra.

54 ENVIRONMENTAL SCIENCES↗
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 NTRS1971

Hibonite, Ca2/Al, Ti/24O38, from the Leoville and Allende chondritic meteorites.

Hibonite was discovered in light-colored, Ca-Al-Ti-rich and Si-Fe-poor, achondritic inclusions of the Leoville and Allende HL-group chondrites. Two varieties of hibonite occur: one emits a bright red-orange luminescence under electron bombardment and has high amounts of Al2O3 (87.7; 87.9) and low amounts of MgO (0.65; 0.8) and TiO2 (0.68; 0.8). The other emits a bright blue luminescence and is low in Al2O3 (78.7; 79.2) and high in MgO (3.3; 3.7) and TiO2 (6.5; 7.9) (in wt. %). The oxide CaO is about the same in both varieties. It is suggested that the change in the color of the visible luminescence results from changes in composition. The origin of hibonite which occurs in complex mineral assemblages together with anorthite, gelhenite, wollastonite, aluminous diopside, andradite, Ca-pyroxene, perovskite, spinel, taenite, chromite, and pentlandite, and in close proximity to nodules containing calcite, whewellite, forsterite and many of the aforementioned phases, is discussed. The proposition that hibonite and associated phases originated by contact metamorphism and metasomatism of calcite-dolomite bearing assemblages cannot, at this time, be completely ruled out.

Keil, K.↗
NASA NTRS1975

Variations in ion composition at middle and low latitudes from Isis 2 satellite

The paper describes absolute ion concentration measurements with an ion mass spectrometer on the Isis 2 satellite and discusses features of the ion composition near a fixed altitude of 1400 km as they relate to longitudinal and latitudinal variations at low and middle latitudes. Two distinct classes of daytime ionospheric behavior are observed. The data obtained confirm the strong solar-geomagnetic seasonal control over the topside ion distribution. The new phenomena associated with the observed longitudinal dependence of the ion composition at 1400 km demonstrate the existence of complex physical processes which take place in this region of the ionosphere.

Breig, E. L.↗
NASA NTRS1977

A review of lighter-than-air progress in the United States and its technological significance

Lighter-than-air craft for transportation and communications systems are discussed, with attention given to tethered balloons used to provide stable platforms for airborne surveillance equipment, freight-carrying balloons, manned scientific research balloons such as Atmosat, high-altitude superpressure aerostats employed in satellite communications systems, airport feeder airships, and naval surveillance airships. In addition, technical problems associated with the development of advanced aerostats, including the aerodynamics of hybrid combinations of large rotor systems and aerostat hulls, the application of composites to balloon shells, computer analyses of the complex geometrical structures of aerostats and propulsion systems for airships, are considered.

Mayer, N. J.↗
NASA NTRS1978

Estimation of payload loads using rigid body interface accelerations

In the design/analysis process of a payload structural system, the accelerations at the payload/launch vehicle interface obtained from a system analysis using a rigid payload are often used as the input forcing function to the elastic payload to obtain structural design loads. Such an analysis is at best an approximation since the elastic coupling effects are neglected. This paper develops a method wherein the launch vehicle/rigid payload interface accelerations are modified to account for the payload elasticity. The advantage of the proposed method, which is exact to the extent that the physical system can be described by a truncated set of generalized coordinates, is that the complete design/analysis process can be performed within the organization responsible for the payload design. The method requires the updating of the system normal modes to account for payload changes, but does not require a complete transient solution using the composite system model. An application to a real complex structure, the Viking Spacecraft System, is given.

Chen, J. C.↗
NASA NTRS1991

Geology of the Uranian satellites

A geological analysis of six of the Uranus satellites observed in detail by Voyager 2 is presented. All of the satellites except the smallest, Puck, show evidence of cryovolcanic resurfacing: global on the largest four satellites, local in the spectacular coronae on Miranda. The cryovolcanic materials exhibit a range of albedos and morphologies, which are interpreted to reflect a variety of compositions and conditions of eruption at least as complex as those which occur on earth. Eruptions are predominantly large fissure flows that produce extensive flood deposits. Possible evidence of small circular vents and cryoclastic volcanic activity is seen on Miranda and Ariel. All of the satellites except Puck also have extensive sets of grabens and riftlike canyons that show remarkable similarity of pattern: intersection sets trending roughly NW-SW and NE-SW in the low latitudes grading into E-W trends near the poles. As a group, the Uranian satellites are somewhat more active geologically than similarly sized Saturnian satellites.

Croft, S. K.↗
NASA NTRS1994

The OFP-6M transport jet

This report presents a preliminary design of a commercial jet transport that meets the criteria of the Request For Proposal presented by the American Institute of Aeronautics and Astronauts (AIAA). The proposal requires an innovative design of a low cost domestic commercial transport that will reduce operating costs for airline companies while still meeting present and future requirements of the Federal Aviation Regulations for this type of aircraft. Specifications for the design include a mixed class, 153 passenger aircraft, traveling a range of 3000 nm. The intent of the project is to identify factors that reduce cost and to design within the limits of these constraints. The project includes techniques or options that incorporate new technologies but do not override practicality, alternative design approaches, and a comparison between the new design and current aircraft in its class. The OFP-6M is an alternative design approach to the conventional commercial transport jet and is geared towards customer satisfaction through efficiency and reliability. The goals of the OFP-6M transport design are to provide original, sensible, and practical solutions by combining essential preliminary design factors with growing technology. The design focus of the OFP-6M reduces costs by simplifying systems where significant weight or maintenance savings can be achieved, and by integrating advanced technology for improved performance. Key aspects of the OFP-6M design are efficient use of materials like composites, and efficient advanced ducted high bypass turbofan engines. The high bypass engines lower fuel consumption and aid in reducing costs and meeting future noise emission restrictions. Composites are used for most structural components, including flooring and wing box. Although composites are an emerging technology and presently, a high maintenance material, they can be cost effective and an alternative to aluminum structures when correct manufacturing and design strategies are applied. Since, composites are lighter and require less manufacturing of complex parts, they can significantly reduce structural weight. Because of the large 17 ft. diameter, sophisticated aerodynamic considerations were implemented to significantly lower the drag. Supercritical airfoils were chosen with simple control surface design which allows for less maintenance and manufacturing costs. The interior configuration accommodates either all passenger, dual and single class flights or complete cargo. Also, a relaxed conventional stability is integrated with a stability augmentation system. As a result of these design implementations, the OFP-6M bottom line direct operating costs, compare favorably with the Boeing 737 and 757, at 3.49 cents per available seat mile and costs are expected to reduce when improved manufacturing and maintenance methods are implemented.

Alexander, Kelly↗
NASA NTRS1992

Advanced wing design survivability testing and results

Composite wings on current operational aircraft are conservatively designed to account for stress/strain concentrations, and to assure specified damage tolerance. The technology that can lead to improved composite wing structures and associated structural efficiency is to increase design ultimate strain levels beyond their current limit of 3500 to 4000 micro-in/in to 6000 micro-in/in without sacrificing structural integrity, durability, damage tolerance, or survivability. Grumman, under the sponsorship of the Naval Air Development Center (NADC), has developed a high-strain composite wing design for a subsonic aircraft wing using novel and innovative design concepts and manufacturing methods, while maintaining a state-of-the-art fiber/resin system. The current advanced wing design effort addressed a tactical subsonic aircraft wing using previously developed, high-strain wing design concepts in conjunction with newer/emerging fiber and polymer matrix composite (PMC) materials to achieve the same goals, while reducing complexity. Two categories of advanced PMC materials were evaluated: toughened thermosets; and engineered thermoplastics. Advanced PMC materials offer the technological opportunity to take maximum advantage of improved material properties, physical characteristics, and tailorability to increase performance and survivability over current composite structure. Damage tolerance and survivability to various threats, in addition to structural integrity and durability, were key technical issues addressed during this study, and evaluated through test. This paper focuses on the live-fire testing, and the results performed to experimentally evaluate the survivability of the advanced wing design.

Bruno, J.↗
NASA NTRS1998

A Novel Ultrasonic Method for Characterizing Microstructural Gradients in Tubular Structures

Ultrasonic velocity and time-of-flight (TOF) imaging that uses back surface reflections to gage volumetric material quality is highly suited for quantitative characterization of microstructural gradients including those due to pore fraction, density, fiber fraction, and chemical composition variations. However, a weakness of conventional pulse echo ultrasonic velocity and TOF imaging is that the image shows the effects of thickness as well as microstructural variations, unless the part is uniformly thick. This limits this imaging method's usefulness in practical applications. Prior studies have described a pulse echo TOF based ultrasonic imaging method that requires using a single transducer in combination with a reflector plate placed behind samples which, eliminates the effect of thickness variation in the image. In those studies, this method was successful at isolating ultrasonic variations due to material in plate like samples of silicon nitride, metal matrix composite, and polymer matrix composite. In this study, the method is engineered for inspection of more complex shaped structures- those having (hollow) tubular or curved geometry. The experimental inspection technique and results are described as applied to a polymer matrix composite "proof of concept" tube that contains machined patches of various depths and an as manufactured monolithic silicon nitride ceramic tube that might be used in "real world" applications.

Roth, Don J.↗