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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Magnetic behavior of NiCu nanowire arrays: Compositional, geometry and temperature dependence

Arrays of Ni{sub 100−x}Cu{sub x} nanowires ranging in composition 0 ≤ x ≤ 75, diameter from 35 to 80 nm, and length from 150 nm to 28 μm have been fabricated by electrochemical co-deposition of Ni and Cu into self-ordered anodic aluminum oxide membranes. As determined by X-ray diffraction and Transmission Electron Microscopy, the crystalline structure shows fcc cubic symmetry with [111] preferred texture and preferential Ni or Cu lattice depending on the composition. Their magnetic properties such as coercivity and squareness have been determined as a function of composition and geometry in a Vibrating Sample Magnetometer in the temperature range from 10 to 290 K for applied magnetic fields parallel and perpendicular to the nanowires axis. Addition of Cu into the NiCu alloy up to 50% enhances both parallel coercivity and squareness. For the higher Cu content, these properties decrease and the magnetization easy axis becomes oriented perpendicular to the wires. In addition, coercivity and squareness increase by decreasing the diameter of nanowires which is ascribed to the increase of shape anisotropy. The temperature dependent measurements reflect a complex behavior of the magnetic anisotropy as a result of energy contributions with different evolution with temperature.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

The effect of high-level waste glass composition on spinel liquidus temperature

Spinel crystals precipitate in high-level waste glasses containing Fe, Cr, Ni , Mn, Zn, and Ru. The liquidus temperature (TL) of spinel as the primary crystallization phase is a function of glass composition and the spinel solubility (c0) is a function of both glass composition and temperature (T). Previously reported models of TL as a function of composition are based on TL measured directly, which requires laborious experimental procedures. Viewing the curve of c0 versus T as the liquidus line allows a significant broadening of the composition region for model fitting. This paper estimates TL as a function of composition based on c0 data obtained with the X-ray diffraction technique.

crystal fraction↗
DOE OSTI2014

Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared ‘multifunctional’ ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt₇Ru₃ NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Balanced stochastic versus deterministic assembly processes benefit diverse yet uneven ecosystem functions in representative agroecosystems

Ecological assembly processes, by influencing community composition, determine ecosystem functions of microbiomes. However, debate remains on how stochastic versus deterministic assembly processes influence ecosystem functions such as carbon and nutrient cycling. Towards a better understanding, we investigated three types of agroecosystems (the upland, paddy, and flooded) that represent a gradient of stochastic versus deterministic assembly processes. Carbon and nutrient cycling multifunctionality, characterized by nine enzymes associated with soil carbon, nitrogen, phosphorous and sulfur cycling, was evaluated and then associated with microbial assembly processes and cooccurrence patterns of vital ecological groups. Our results suggest that strong deterministic processes favour microorganisms with convergent functions (as in the upland agroecosystem), while stochasticity-dominated processes lead to divergent functions (as in the flooded agroecosystem). To benefit agroecosystems services, we speculate that it is critical for a system to maintain balance between its stochastic and deterministic assembly processes (as in the paddy agroecosystem). By doing so, the system can preserve a diverse array of functional traits and also allow for particular traits to flourish. To further confirm this speculation, it is necessary to develop a systematic knowledge beyond merely characterizing general patterns towards the associations among community assembly, composition, and ecosystem functions.

Liu, Wenjing↗
DOE OSTI2012

Effect of glass composition on activation energy of viscosity in glass-melting-temperature range

In the high-temperature range, where the viscosity (Eta) of molten glass is <10{sup 3} Pa s, the activation energy (B) is virtually ln(Eta) = A + B/T, is nearly independent of melt composition. Hence, the viscosity-composition relationship for Eta < 10{sup 3} Pa s is defined by B as a function of composition. Using a database encompassing over 1300 compositions of high-level waste glasses with nearly 7000 viscosity data, we developed mathematical models for B(x), where x is the composition vector in terms of mass fractions of components. In this paper, we present 13 versions of B(x) as first- and second-order polynomials with coefficients for 15 to 39 components, including Others, a component that sums constituents having little effect on viscosity.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Shock compression behavior of bi-material powder composites with disparate melting temperatures

Laser driven experiments were used to investigate the shock compression behavior of powder processed Bismuth/Tungsten (Bi/W) composite samples. The constituents provide different functionality to the composite behavior as Bi could be shock melted at the pressures attained in this work, while the W could not. Samples were prepared by uniaxial pressing, and the relative density was measured as a function of particle size, applied pressure, and composition for both hot and cold pressing conditions. This resulted in sample densities between 73% and 99% of the theoretical maximum density, and also noticeable differences in microstructure in the hot and cold pressed samples. The compression waves were generated with a 1.3 × 1.3 mm square spot directly onto the surface of the sample, using irradiances between 10{sup 12} and 10{sup 13} W/cm{sup 2}, which resulted in calculated peak pressures between 50 and 150 GPa within a few micrometers. Sample recovery and post-mortem analysis revealed the formation of a crater on the laser drive surface, and the depth of this crater corresponded to the depth to which the Bi had been melted. The melt depth was found to be primarily a function of residual porosity and composition, and ranged from 167 to 528 μm. In general, a higher porosity led to a larger melt depth. Direct numerical simulations were performed, and indicated that the observed increase in melt depth for low-porosity samples could be largely attributed to increased heating associated with work done for pore collapse. However, the relative scaling was sensitive to composition, with low volume fraction Bi samples exhibiting a much stronger dependence on porosity than high Bi content samples. Select samples were repeated using an Al foil ablator, but there were no noticeable differences ensuring that the observed melting was indeed pressure-driven and was not a result of direct laser heating. The resultant microstructures and damage near the spall surface were also investigated qualitatively.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Marine microbial community responses related to wetland carbon mobilization in the coastal zone

Abstract Here, we examine how marine microbial communities respond when dissolved organic matter (DOM) is mobilized from coastal wetlands. Biological transformations of this DOM may increase in the presence of reactive substrates, such as algal‐derived DOM (ADOM) in the coastal zone—a process known as priming. We performed laboratory experiments examining transformations of DOM derived from coastal wetland peat (PDOM) with and without the presence ADOM. Associated shifts in microbial community composition and functional gene abundance were measured to evaluate mechanisms of priming effects. ADOM presence stimulated CO 2 production when compared to the seawater control, which was further enhanced in the copresence of PDOM. DOM characterization showed a substantial difference in features present at the end of the incubation when PDOM was present with and without ADOM, while metagenomic sequencing indicated shifts in microbial community composition and identified 23 unique functional genes associated with pathways for the breakdown of aromatic compounds.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Metaproteomics reveals insights into microbial structure, interactions, and dynamic regulation in defined communities as they respond to environmental disturbance

Abstract Background Microbe-microbe interactions between members of the plant rhizosphere are important but remain poorly understood. A more comprehensive understanding of the molecular mechanisms used by microbes to cooperate, compete, and persist has been challenging because of the complexity of natural ecosystems and the limited control over environmental factors. One strategy to address this challenge relies on studying complexity in a progressive manner, by first building a detailed understanding of relatively simple subsets of the community and then achieving high predictive power through combining different building blocks (e.g., hosts, community members) for different environments. Herein, we coupled this reductionist approach with high-resolution mass spectrometry-based metaproteomics to study molecular mechanisms driving community assembly, adaptation, and functionality for a defined community of ten taxonomically diverse bacterial members of Populus deltoides rhizosphere co-cultured either in a complex or defined medium. Results Metaproteomics showed this defined community assembled into distinct microbiomes based on growth media that eventually exhibit composition and functional stability over time. The community grown in two different media showed variation in composition, yet both were dominated by only a few microbial strains. Proteome-wide interrogation provided detailed insights into the functional behavior of each dominant member as they adjust to changing community compositions and environments. The emergence and persistence of select microbes in these communities were driven by specialization in strategies including motility, antibiotic production, altered metabolism, and dormancy. Protein-level interrogation identified post-translational modifications that provided additional insights into regulatory mechanisms influencing microbial adaptation in the changing environments. Conclusions This study provides high-resolution proteome-level insights into our understanding of microbe-microbe interactions and highlights specialized biological processes carried out by specific members of assembled microbiomes to compete and persist in changing environmental conditions. Emergent properties observed in these lower complexity communities can then be re-evaluated as more complex systems are studied and, when a particular property becomes less relevant, higher-order interactions can be identified.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Trajectories of Microbial Community Function in Response to Accelerated Remediation of Subsurface Metal Contaminants

Objectives of proposed research were to; Determine if the trajectories of microbial community composition and function following organic carbon amendment can be related to, and predicted by, key environmental determinants; Assess the relative importance of the characteristics of the indigenous microbial community, sediment, groundwater, and concentration of organic carbon amendment as the major determinants of microbial community functional response and bioremediation capacity; and Provide a fundamental understanding of the microbial community ecology underlying subsurface metal remediation requisite to successful application of accelerated remediation and long-term stewardship of DOE-IFC sites.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Simulating environmentally-sensitive tree recruitment in vegetation demographic models

Vegetation demographic models (VDMs) endeavor to predict how global forests will respond to climate change. This requires simulating which trees, if any, are able to recruit under changing environmental conditions. We present a new recruitment scheme for VDMs in which functional-type-specific recruitment rates are sensitive to light, soil moisture and the productivity of reproductive trees. We evaluate the scheme by predicting tree recruitment for four tropical tree functional types under varying meteorology and canopy structure at Barro Colorado Island, Panama. We compare predictions to those of a current VDM, quantitative observations and ecological expectations. We find that the scheme improves the magnitude and rank order of recruitment rates among functional types and captures recruitment limitations in response to variable understory light, soil moisture and precipitation regimes. Furthermore, our results indicate that adopting this framework will improve VDM capacity to predict functional-type-specific tree recruitment in response to climate change, thereby improving predictions of future forest distribution, composition and function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

The effect of high-level waste glass composition on spinel liquidus temperature

Spinel crystals precipitate in high-level waste glasses containing Fe, Cr, Ni, Mn, Zn, and Ru. The liquidus temperature (T{sub L}d) of spinel as the primary crystallization phase is a function of glass composition, and the spinel solubility (c{sub o}) is a function of both glass composition and temperature (T). Previously reported models of T{sub L} as a function of composition are based on T{sub L} measured directly, which requires laborious experimental procedures. Viewing the curve of c{sub o} versus T as the liquidus line allows a significant broadening of the composition region for model fitting. This paper estimates T{sub L} as a function of composition based on c{sub o} data obtained with the X-ray diffraction technique.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Characterization of MBE-grown InAlN/GaN heterostructure valence band offsets with varying In composition

Angle-resolved X-ray photoelectron spectroscopy (XPS) is used in this work to experimentally determine the valence band offsets of molecular beam epitaxy (MBE)-grown InAlN/GaN heterostructures with varying indium composition. We find that the internal electric field resulting from polarization must be taken into account when analyzing the XPS data. Valence band offsets of 0.12 eV for In{sub 0.18}Al{sub 0.82}N, 0.15 eV for In{sub 0.17}Al{sub 0.83}N, and 0.23 eV for In{sub 0.098}Al{sub 0.902}N with GaN are obtained. The results show that a compositional-depended bowing parameter is needed in order to estimate the valence band energies of InAlN as a function of composition in relation to those of the binary endpoints, AlN and InN.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Magnetic phase diagram mapping in Fe 1- x Rh x composition-spread thin films

We have fabricated high-quality polycrystalline Fe 1- x Rh x composition-spread thin films by cosputtering Fe and Rh, and investigated their structural and magnetic transformations as a systematic function of composition. With increasing Rh concentration, Fe 1-x Rh x thin film undergoes from an α' phase to a disordered γ phase and also shows a magnetic transition from a ferromagnetic phase to a paramagnetic phase. Vibrating-sample magnetometry and x-ray magnetic circular dichroism measurements show an antiferromagnetic-ferromagnetic transition in the range of 0.52 < x < 0.58 in the Fe 1- x Rh x composition gradient at room temperature. Based on our structural and magnetic property mapping, we construct a thin-film phase diagram of Fe 1- x Rh x . Compared to reported results in bulk alloys, the antiferromagnetic-ferromagnetic transition in the Fe 1- x Rh x thin films was found to occur at slightly higher Rh concentrations, while the boundary between the pure γ phase and the α'/ γ mixed phase region is shifted to the lower concentration Rh.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The process domains concept as a framework for fish and mussel habitat in a coastal plain river of southeastern North America

Hydrologic processes interact with geomorphic patterns to create the spatial and temporal variation in riverine habitat that affects the distribution of aquatic species throughout stream networks. The process domains concept (PDC) states that longitudinally-abrupt changes in geomorphic processes along streams determine temporal patterns of natural disturbance that influence the distribution of stream organisms. Despite its potential generality, the PDC has been applied primarily to mountain streams of western North America. We tested the utility of the PDC as a conceptual framework for characterizing spatiotemporal variability in abiotic conditions and assessed the influence of process domains (PDs) on community composition of fishes and mussels along a fifth order river mainstem in the gulf coastal plain of the southeastern United States. We measured channel cross sections at three transects nested within three sites nested within three stream reaches to quantify multi-scale spatial variability in channel geomorphology along the mainstem of the Neches River, Texas, USA. Next, we modeled stage-dependent channel hydraulics to quantify temporal variability in habitat area and benthic disturbance. Lastly, we sampled fishes and mussels at each site and tested whether PDs correlate with spatial variation in taxonomic and functional community composition. Channel cross-sectional dimensions varied at the reach scale and affected the modeled temporal variability in habitat area and benthic disturbance. This interaction between channel geomorphology and disturbance regime indicated the presence of distinct PDs at the reach scale. Taxonomic composition of fishes did not differ among reaches, whereas abundance and richness of mussels were strongly reduced in the upper reach compared to the middle and lower reaches. Only slight differences in functional traits of fishes and mussels were apparent among reaches, suggesting that reach scale PDs do not influence community composition via the filtering of these functional traits. This study provides empirical evidence that the PDC is a useful framework for describing hydrogeomorphic conditions and mussel abundance and richness and can guide channel restorations in streams draining regions of low topography.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Thermophysical modeling of raw glaze liquidus temperature and viscosity

Raw glazes, which do not contain pre-melted glass frits, are widely used due to their low cost. The natural variability of the mineral compositions used in raw glazes affects their viscosity during firing. Molten glaze viscosity plays an important role in determining the final surface quality; therefore, it is important to determine how raw glaze composition and firing conditions affect viscosity. Thermophysical modeling provides a way to evaluate the liquidus temperature and viscosity of molten glazes as a function of composition and oxygen activity. Equilibrium phase volume fraction and composition of 242 raw glaze recipes were evaluated under oxidizing and reducing conditions. Undissolved or precipitation of solid phases explain the secondary flux transition from anti-fluxing to fluxing near the liquidus temperature. The liquidus temperature and viscosity of iron glazes decrease as a function of increasing iron content under a reducing atmosphere. The empirical probability distribution of molten glaze viscosity follows a lognormal distribution, with lead glazes having significantly lower viscosity compared with glazes without lead. Here, the peak firing temperature viscosity of lead-free glazes is near the working point of glass. Multiple linear regression analysis shows that the peak firing temperature viscosity and liquidus temperature significantly predict the viscosity factor.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Machine-learning-assisted deciphering of microstructural effects on ionic transport in composite materials: A case study of Li 7 La 3 Zr 2 O 12 -LiCoO 2

The effective diffusivity of ionic species in multiphase materials is critical for the design and function of composite materials for electrochemical energy storage. In practice, effective diffusivity depends sensitively not only on the intrinsic diffusivities of constituting materials but also on their topological arrangement; nevertheless, these coupled contributions are oversimplified in most analytical models. Here, we combine atomistically informed mesoscale modeling and machine learning (ML) analysis to unravel how such features affect effective diffusivity in two-phase composites. Using the Li 7 La 3 Zr 2 O 12 -LiCoO 2 composite solid-state battery cathode as a model system, we compute effective diffusivity for 600 distinct dense polycrystalline microstructures with different topological configurations of grains, grain boundaries, and heterointerfaces. We verify that in addition to atomic-scale variabilities, microstructural feature diversity can significantly impact effective transport properties. Across the ensemble of test microstructures, this often results in bimodal distributions of effective diffusivity that encompass two qualitatively distinct operating mechanisms, which we identify via flux analysis. An ML approach reveals that the most critical determining factors for effective diffusivity are the connectivity of bulk phases and their heterointerfaces. The role of ionic mobility at the heterointerfaces is also discussed. These insights highlight the combined importance of microstructure and interface engineering in tuning the transport properties of ionic species in composite materials. In conclusion, our framework can also be extended for understanding generic microstructure-property relationships in other complex multiphase materials.

25 ENERGY STORAGE↗