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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Composition variations in pulsed-laser-deposited Y-Ba-Cu-O thin films as a function of deposition parameters

The composition of pulsed-ultraviolet-laser-deposited Y-Ba-Cu-O films was examined as a function of position across the substrate, laser fluence, laser spot size, substrate temperature, target conditioning, oxygen pressure and target-substrate distance. Laser fluence, laser spot size, and substrate temperature were found to have little effect on composition within the range investigated. Ablation from a fresh target surface results in films enriched in copper and barium, both of which decrease in concentration until a steady state condition is achieved. Oxygen pressure and target-substrate distance have a significant effect on film composition. In vacuum, copper and barium are slightly concentrated at the center of deposition. With the introduction of an oxygen background pressure, scattering results in copper and barium depletion in the deposition center, an effect which increases with increasing target-substrate distance. A balancing of these two effects results in stoichiometric deposition.

Foote, M. C.↗
NASA NTRS2005

Preparation and Characterization of PETI-330/Multiwalled Carbon Nanotube Composites

As part of an ongoing effort to incorporate multi-functionality into advanced composites, blends of PETI-330 and multi-walled carbon nanotubes (MWCNTs) were prepared, characterized and fabricated into moldings. The PETI-330/MWCNT mixtures were prepared at concentrations ranging from 3 to 25 weight percent by dry mixing the components in a ball mill. The resulting powders were characterized for degree of mixing, thermal and rheological properties. Based on the characterization results, PETI-330/MWCNT samples were scaled up to approx. 300 g and used to fabricate moldings 10.2 cm x 15.2 cm x 0.32 cm thick. The moldings were fabricated by injecting the mixtures at 260-280 C into a stainless steel tool followed by curing for 1 h at 371 C. The tool was designed to impart high shear during the injection process in an attempt to achieve some alignment of the MWCNTs in the flow direction. Good quality moldings were obtained that were subsequently characterized for thermal, mechanical and electrical properties. The degree of dispersion and alignment of the MWCNTs were investigated using high-resolution scanning electron microscopy and Raman spectroscopy. The preparation and preliminary characterization of PETI-330/MWCNT composites will be discussed. Keywords: phenylethynyl terminated imides, high temperature polymers, nanocomposites,

Ghose, Sayata↗
DOE OSTI2018

Functionalized linear and cyclic polyolefins

This invention relates to methods and compositions for preparing linear and cyclic polyolefins. More particularly, the invention relates to methods and compositions for preparing functionalized linear and cyclic polyolefins via olefin metathesis reactions. Polymer products produced via the olefin metathesis reactions of the invention may be utilized for a wide range of materials applications. The invention has utility in the fields of polymer and materials chemistry and manufacture.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Functionalized linear and cyclic polyolefins

This invention relates to methods and compositions for preparing linear and cyclic polyolefins. More particularly, the invention relates to methods and compositions for preparing functionalized linear and cyclic polyolefins via olefin metathesis reactions. Polymer products produced via the olefin metathesis reactions of the invention may be utilized for a wide range of materials applications. The invention has utility in the fields of polymer and materials chemistry and manufacture.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Universal kinetic solvent effects in acid-catalyzed reactions of biomass-derived oxygenates

In this paper, the rates of Brønsted-acid-catalyzed reactions of ethyl tert-butyl ether, tert-butanol, levoglucosan, 1,2-propanediol, fructose, cellobiose, and xylitol were measured in solvent mixtures of water with three polar aprotic cosolvents: γ-valerolactone; 1,4-dioxane; and tetrahydrofuran. As the water content of the solvent environment decreases, reactants with more hydroxyl groups have higher catalytic turnover rates for both hydrolysis and dehydration reactions. We present classical molecular dynamics simulations to explain these solvent effects in terms of three simulation-derived observables: (1) the extent of water enrichment in the local solvent domain of the reactant; (2) the average hydrogen bonding lifetime between water molecules and the reactant; and (3) the fraction of the reactant accessible surface area occupied by hydroxyl groups, all as a function of solvent composition. Finally, we develop a model, constituted by linear combinations of these three observables, that predicts experimentally determined rate constants as a function of solvent composition for the entire set of acid-catalyzed reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2010

EMTA’s Evaluation of the Elastic Properties for Fiber Polymer Composites Potentially Used in Hydropower Systems

Fiber-reinforced polymer composites can offer important advantages over metals where lightweight, cost-effective manufacturing and high mechanical performance can be achieved. To date, these materials have not been used in hydropower systems. In view of the possibility to tailor their mechanical properties to specific applications, they now have become a subject of research for potential use in hydropower systems. The first step in any structural design that uses composite materials consists of evaluating the basic composite mechanical properties as a function of the as-formed composite microstructure. These basic properties are the elastic stiffness, stress-strain response, and strength. This report describes the evaluation of the elastic stiffness for a series of common discontinuous fiber polymer composites processed by injection molding and compression molding in order to preliminarily estimate whether these composites could be used in hydropower systems for load-carrying components such as turbine blades. To this end, the EMTA (Copyright © Battelle 2010) predictive modeling tool developed at the Pacific Northwest National Laboratory (PNNL) has been applied to predict the elastic properties of these composites as a function of three key microstructural parameters: fiber volume fraction, fiber orientation distribution, and fiber length distribution. These parameters strongly control the composite mechanical performance and can be tailored to achieve property enhancement. EMTA uses the standard and enhanced Mori-Tanaka type models combined with the Eshelby equivalent inclusion method to predict the thermoelastic properties of the composite based on its microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations

The structures and magnetic properties of Co-Zr-B alloys near the composition of Co{sub 5}Zr with B at. % ≤6% were studied using adaptive genetic algorithm and first-principles calculations. The energy and magnetic moment contour maps as a function of chemical composition were constructed for the Co-Zr-B magnet alloys through extensive structure searches and calculations. We found that Co-Zr-B system exhibits the same structure motif as the “Co{sub 11}Zr{sub 2}” polymorphs, and such motif plays a key role in achieving strong magnetic anisotropy. Boron atoms were found to be able to substitute cobalt atoms or occupy the “interruption” sites. First-principles calculations showed that the magnetocrystalline anisotropy energies of the boron-doped alloys are close to that of the high-temperature rhombohedral Co{sub 5}Zr phase and larger than that of the low-temperature Co{sub 5.25}Zr phase. Our calculations provide useful guidelines for further experimental optimization of the magnetic performances of these alloys.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Modelling the sulfate capacity of simulated radioactive waste borosilicate glasses

The capacity of simulated high-level radioactive waste borosilicate glasses to incorporate sulfate has been studied as a function of glass composition. Combined Raman, 57 Fe Mössbauer and literature evidence supports the attribution of coordination numbers and oxidation states of constituent cations for the purposes of modelling, and results confirm the validity of correlating sulfate incorporation in multicomponent borosilicate radioactive waste glasses with different models. A strong compositional dependency is observed and this can be described by an inverse linear relationship between incorporated sulfate (mol% SO 4 2- ) and total cation field strength index of the glass, Σ(z/a 2 ), with a high goodness-of-fit (R 2 ≈ 0.950). Similar relationships are also obtained if theoretical optical basicity, Λ th (R 2 ≈ 0.930) or non-bridging oxygen per tetrahedron ratio, NBO/T (R 2 ≈ 0.919), are used. Results support the application of these models, and in particular Σ(z/a 2 ), as predictive tools to aid the development of new glass compositions with enhanced sulfate capacities.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Ultra-high Temperature Ceramic Composites for Leading Edges, 2004

Ultrahigh temperature ceramics (UHTC) have performed unreliably due to material flaws and attachment design. These deficiencies are brought to the fore by the low fracture toughness and thermal shock resistance of the UHTC. If these deficiencies are overcome, we are still faced with poor oxidation resistance as a limitation on UHTC applicability to reusable launch vehicles. We have been addressing the deficiencies of UHTC for the past two years via a small task at GRC that is in the Airframe part of the Next Generation Launch Technology Program. Our focus is on composite constructions and functional grading to address the mechanical issues and on composition modification to address the oxidation issue. The progress on approaches to improving oxidation resistance by alloying and functional grading will be reported.

Levine, Stanley R.↗
NASA NTRS2006

Cassini UVIS Observations of the Io Plasma Torus: Observations of Temporal and Azimuthal Variability - 3

In this third paper in a series presenting observations by the Cassini Ultraviolet Imaging Spectrometer (UVIS) of the Io plasma torus, we show remarkable, though subtle, spatio-temporal variations in torus properties. The Io torus is found to exhibit significant, near sinusoidal variations in ion composition as a functions of azimuthal position. The azimuthal variation in composition is such that the mixing ratio of S II us strongly correlated with the mixing ratio of S III and the equatorial electron density and strongly anti-correlated with the mixing ratios of both S IV and O II and the equatorial electron temperature. Surprisingly, the azimuthal variation in ion composition is observed to have a period of 10.07 h -- 1.5% longer than the System III rotation period of Jupiter, yet 1.3% shorter than the System UV period defined by [Brown, M. E., 1995. J. Geophys. Res. 100, 21683-21696]. Although the amplitude of the azimuthal variation of S III and O II remained in the range of 2-5%, the amplitude of the S II and S IV compositional variation ranged between 5 and 25% during the UVIS observations. Furthermore, the amplitude of the azimuthal variations of S II and S IV appears to be modulated by its location in System III longitude, such that when the region of maximum S II mixing ration (minimum S IV mixing ratio) is aligned with a System III longitude of 200 deg +/-, the amplitude is a factor of 4 greater than when the variation is anti-aligned. This behavior can explain numerous, often apparently contradictory, observations of variations in the properties of the Io plasma torus with the System III and System IV coordinate systems.

Steffl, A. J.↗
DOE OSTI2017

Divergent Responses of Forest Soil Microbial Communities under Elevated CO 2 in Different Depths of Upper Soil Layers

Numerous studies have shown that the continuous increase of atmosphere CO 2 concentrations may have profound effects on the forest ecosystem and its functions. However, little is known about the response of belowground soil microbial communities under elevated atmospheric CO 2 (eCO 2 ) at different soil depth profiles in forest ecosystems. In this paper, we examined soil microbial communities at two soil depths (0 to 5 cm and 5 to 15 cm) after a 10-year eCO 2 exposure using a high-throughput functional gene microarray (GeoChip). The results showed that eCO 2 significantly shifted the compositions, including phylogenetic and functional gene structures, of soil microbial communities at both soil depths. Key functional genes, including those involved in carbon degradation and fixation, methane metabolism, denitrification, ammonification, and nitrogen fixation, were stimulated under eCO 2 at both soil depths, although the stimulation effect of eCO 2 on these functional markers was greater at the soil depth of 0 to 5 cm than of 5 to 15 cm. Moreover, a canonical correspondence analysis suggested that NO 3 -N, total nitrogen (TN), total carbon (TC), and leaf litter were significantly correlated with the composition of the whole microbial community. This study revealed a positive feedback of eCO 2 in forest soil microbial communities, which may provide new insight for a further understanding of forest ecosystem responses to global CO 2 increases. The concentration of atmospheric carbon dioxide (CO 2 ) has continuously been increasing since the industrial revolution. Understanding the response of soil microbial communities to elevated atmospheric CO 2 (eCO 2 ) is important for predicting the contribution of the forest ecosystem to global atmospheric change. This study analyzed the effect of eCO 2 on microbial communities at two soil depths (0 to 5 cm and 5 to 15 cm) in a forest ecosystem. Our findings suggest that the compositional and functional structures of microbial communities shifted under eCO 2 at both soil depths. Finally, more functional genes involved in carbon, nitrogen, and phosphorus cycling were stimulated under eCO 2 at the soil depth of 0 to 5 cm than at the depth of 5 to 15 cm.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Functionalized porous organic polymers as uranium nano-traps for efficient uranium extraction

Compositions are provided for efficient uranium extraction, for example from wastewater, seawater, or other water sources. The compositions can include a functionalized porous organic polymer functionalized with one or more uranium binding moieties, e.g. having a plurality of amidoxime or amidrazone groups covalently attached thereto. The compositions can include covalent organic frameworks, porous aromatic frameworks, and various porous organic polymers, especially those having a hierarchical pore size distribution over a range of pore sizes. The compositions can have functional groups such as amidoxime or an amidrazone covalently attached thereto. The hierarchical pore size distribution can be determined based upon at least 60% of the pore sizes in the range of pore sizes having a pore volume of at least 0.01 cm 3 g −1 in the pore size distribution at 77 K. Methods of making the compositions and methods of using the compositions are also provided.

Ma, Shengqian↗
NASA NTRS1993

Advanced electromagnetic methods for aerospace vehicles

The Advanced Helicopter Electromagnetics (AHE) Industrial Associates Program has fruitfully completed its fourth year. Under the support of the AHE members and the joint effort of the research team, new and significant progress has been achieved in the year. Following the recommendations by the Advisory Task Force, the research effort is placed on more practical helicopter electromagnetic problems, such as HF antennas, composite materials, and antenna efficiencies. In this annual report, the main topics to be addressed include composite materials and antenna technology. The research work on each topic has been driven by the AHE consortium members' interests and needs. The remarkable achievements and progresses in each subject is reported respectively in individual sections of the report. The work in the area of composite materials includes: modeling of low conductivity composite materials by using Green's function approach; guidelines for composite material modeling by using the Green's function approach in the NEC code; development of 3-D volume mesh generator for modeling thick and volumetric dielectrics by using FD-TD method; modeling antenna elements mounted on a composite Comanche tail stabilizer; and antenna pattern control and efficiency estimate for a horn antenna loaded with composite dielectric materials.

Balanis, Constantine A.↗
DOE OSTI2019

Development of a Data-Derived Sooting Index Including Oxygen-Containing Fuel Components

Particulate matter (PM) emissions from spark-ignited engines, particularly those with direct injection, now exceed those of light-duty diesel engines equipped with diesel particle filters. Fuel chemistry is one of several interacting factors that determine the amount of PM produced during combustion. Understanding the relationship between fuel chemistry and PM emissions is therefore essential in identifying fuels with a lower tendency to form soot. However, existing predictive models have been shown to perform poorly when fuel blends include a large proportion of oxygenated molecules. In this study, we report a new analysis of the data from the EPAct V2 data set with the objective of developing an emission index that adequately handles the effects of oxygenate blending on vehicle and engine emissions. Our approach uses regularized linear regression to select the most important parameters in predicting normalized vehicle emissions as a function of fuel composition and bulk fuel properties. Interestingly, our data-derived metric reproduces a similar functional form to the particulate matter index equation, including a chemical tendency to form soot as well as the vapor pressure. The resulting metric better predicts PM formation in the EPAct V2 data set as a function of fuel properties and composition than existing models.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2014

Vertical distribution of structural components in corn stover

In the United States, corn ( Zea mays L.) stover has been targeted for second generation fuel production and other bio-products. Our objective was to characterize sugar and structural composition as a function of vertical distribution of corn stover (leaves and stalk) that was sampled at physiological maturity and about three weeks later from multiple USA locations. A small subset of samples was assessed for thermochemical composition. Concentrations of lignin, glucan, and xylan were about 10% greater at grain harvest than at physiological maturity, but harvestable biomass was about 25% less due to stalk breakage. Gross heating density above the ear averaged 16.3 ± 0.40 MJ kg⁻¹, but with an alkalinity measure of 0.83 g MJ⁻¹, slagging is likely to occur during gasification. Assuming a stover harvest height of 10 cm, the estimated ethanol yield would be >2500 L ha⁻¹, but it would be only 1000 L ha⁻¹ if stover harvest was restricted to the material from above the primary ear. Vertical composition of corn stover is relatively uniform; thus, decision on cutting height may be driven by agronomic, economic and environmental considerations.

09 BIOMASS FUELS↗
DOE OSTI2022

Z-Contrast Enhancement in Au–Pt Nanocatalysts by Correlative X-ray Absorption Spectroscopy and Electron Microscopy: Implications for Composition Determination

The properties of bimetallic nanoparticles (BNPs) vary widely as a function of their composition and size distributions. X-ray absorption fine structure analysis is commonly used to characterize their structure, but its application to elements that are close to each other in the periodic table is hampered by poor Z-contrast. For this study, we trained an artificial neural network to recognize the partial coordination numbers in AuPt NPs synthesized via peptide templating using their X-ray absorption near-edge structure spectra. This approach, combined with scanning transmission electron microscopy analysis, revealed unique details of this prototype catalytic system that has different forms of heterogeneities at both the intra- and inter-particle levels. Our method based on the enhancement of Z-contrast of metal species will have implications for compositional studies of BNPs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

An integrated insight into the response of sedimentary microbial communities to heavy metal contamination

Response of biological communities to environmental stresses is a critical issue in ecology, but how microbial communities shift across heavy metal gradients remain unclear. To explore the microbial response to heavy metal contamination (e.g., Cr, Mn, Zn), the composition, structure and functional potential of sedimentary microbial community were investigated by sequencing of 16S rRNA gene amplicons and a functional gene microarray. Analysis of 16S rRNA sequences revealed that the composition and structure of sedimentary microbial communities changed significantly across a gradient of heavy metal contamination and the relative abundances were higher for Firmicutes, Chloroflexi and Crenarchaeota, but lower for Proteobacteria and Actinobacteria in highly contaminated samples. Also, molecular ecological network analysis of sequencing data indicated that their possible interactions might be enhanced in highly contaminated communities. Correspondently, key functional genes involved in metal homeostasis (e.g., chrR, metC, merB), carbon metabolism and organic remediation showed a higher abundance in highly contaminated samples, indicating that bacterial communities in contaminated areas may modulate their energy consumption and organic remediation ability. This study indicated that the sedimentary indigenous microbial community may shift the composition and structure as well as function priority and interaction network to increase their adaptability and/or resistance to environmental contamination.

Science & Technology - Other Topics↗
DOE OSTI2025

Conductive Liquid Metal Vitrimer Composites for Reconfigurable and Recyclable Flexible Electronics

Liquid metal (LM) elastomer composites exhibit excellent functionality for stretchable electronics and wearables, but limited recycling and reuse pathways constrain their sustainable use. Here, to address these challenges amid growing concerns over electronic waste, a conductive LM–vitrimer composite is presented that enables recyclable and reconfigurable electronics. This soft and stretchable composite features uniformly distributed LM inclusions that enhance thermal conductivity by 6.53× and enable the formation of conductive traces with electrical self-healing, while the vitrimer provides structural restoration. The dynamic covalent bonds of the vitrimer matrix are leveraged for both reprocessing the composite and chemically recovering 94% of the LM. This liquid-state filler slightly reduces the vitrimer's stiffness to 2.63 MPa (≈20% lower), while maintaining its high stretchability (>135% strain) and thermal stability. It is further examined how ultrasonicated LM inclusions interact with the vitrimer matrix and demonstrate the composite's self-healing and recyclability through two distinct approaches: 1) thermomechanical reprocessing, which restores fragmented composites under heat and compression for circuit reconfiguration; and 2) chemical recycling, which recovers the embedded LM for reuse in fabricating new composites and redesigned circuitry. With the integration of recyclability and diverse functional capabilities, LM–vitrimer composites emerge as a promising material platform for sustainable, flexible electronics.

Han, Youngshang [Univ. of Washington, Seattle, WA ↗