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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 397 records · Page 22

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↗

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↗

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↗

Designing Ni- and Co-Base Superalloys To Resist Oxidation

Analysis of experimental cyclic-oxidation data yields quantitative design criterion. Equation characterizing abilities of superalloys to resist oxidation at high temperatures proves useful for designing new alloy compositions to resist oxidation. Rates tendency to become oxidized in terms of single attack parameter, K(a), as function of composition and temperature: decrease in K(a) signifies increase in resistance to oxidation.

Barrett, Charles A.↗

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↗

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↗

Thermal analysis of a functionally graded material subject to a thermal gradient using the boundary element method

The boundary element method is utilized in this study to conduct thermal analysis of functionally graded composites, materials in which the internal microstructure or properties are explicitly tailored in order to obtain an optimal response, on the micromechanical (constituent) scale. A unique feature of the boundary element formulations used here is the use of circular shape functions to convert the two-dimensional integrations of the composite fibers to one dimensional integrations. Using the computer code BEST-CMS, the through the thickness temperature profiles are computed for a representative material with varying numbers of fibers and fiber spacing in the thickness direction. The computed temperature profiles are compared to those obtained using an alternate analytical theory which explicitly couples the heterogeneous microstructure to the global analysis. The boundary element results compared favorably to the analytical calculations, with discrepancies that are explainable based on the boundary element formulation. The results serve both to demonstrate the ability of the boundary element method to analyze these types of materials, and to verify the accuracy of the analytical theory.

Goldberg, Robert K.↗

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↗

The phase-integral method for radiative transfer problems with highly-peaked phase functions

Complete solutions to the radiative transfer equation, including both azimuth and depth dependence, are provided by the discrete-ordinate method of Chandrasekhar, but these solutions are often limited because of large computer requirements. This paper presents a 'phase-integral' method which greatly reduces the number of discrete ordinates needed in the solution for highly peaked phase functions. A composite quadrature method is shown to be effective in further reducing the number of discrete ordinates required for highly anisotropic phase functions. Examples are given to indicate convergence requirements and expected accuracy in the complete solution for Henyey-Greenstein and cloud-type phase functions.

Fricke, C. L.↗

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↗

The improvement in functional characteristics of eco-friendly composites made of natural rubber and cellulose

We investigated the efficient use of cellulose to resolve the problem of the depletion of fossil resources. In this study, as the biomass material, the green composite based on natural rubber (NR) and the flake-shaped cellulose particles (FSCP) was produced. In order to further improvement of functional characteristics, epoxidized natural rubber (ENR) was also used instead of NR. The FSCP were produced by mechanical milling in a planetary ball mill with a grinding aid as a cellulose aggregation inhibitor. Moreover, talc and mica particles were used to compare with FSCP. NR and ENR was mixed with vulcanizing agents and then each filler was added to NR compound in an internal mixer. The vulcanizing agents are as follows: stearic acid, zinc oxide, sulfur, and vulcanization accelerator. The functionalities of the composites were evaluated by a vibration-damping experiment and a gas permeability experiment. As a result, we found that FSCP filler has effects similar to (or more than) inorganic filler in vibration-damping and O{sub 2} barrier properties. And then, vibration- damping and O{sub 2} barrier properties of the composite including FSCP was increased with use of ENR. In particular, we found that ENR-50 composite containing 50 phr FSCP has three times as high vibration-damping property as ENR-50 without FSCP.

36 MATERIALS SCIENCE↗

In-Plane Shear Testing of Medium and High Modulus Woven Graphite Fiber Reinforced/Polyimide Composites

Iosipescu shear tests were performed at room temperature and at 316 C (600 F) o woven composites with either M40J or M60J graphite fibers and PMR-II-50 polyimide resin matrix. The composites were tested as supplied and after thermo-cycling, with the thermo-cycled composites being tested under dry and wet conditions. Acoustic emission (AE) was monitored during the room and high temperature Iosipescu experiments. The shear stresses at the maximum loads and the shear stresses at the significant onset of AE were determined for the composites as function of temperature and conditioning. The combined effects of thermo-cycling and moisture on the strength and stiffness properties of the composites were evaluated. It was determined that the room and high temperature shear stresses at the maximum loads were unaffected by conditioning. However, at room temperature the significant onset of AE was affected by conditioning; the thermal conditioned wet specimens showed the highest shear stress at the onset of AE followed by thermal-conditioned and then as received specimens. Also, at igh temperature the significant onset of AE occurred in some specimens after the maximum load due to the viscoelastoplastic nature of the matrix material.

Gentz, M.↗

Synthesis of Pt/PEI-MWCNT composite materials on polyethyleneimine-functionalized MWNTs as supports

Graphical abstract: Schematic diagram for (a) the preparation of Pt/MWCNT functionalized with PEI and (b) TEM of Pt/PEI-MWCNT. Highlights: Black-Right-Pointing-Pointer We prepared Pt/PEI/MWCNT where MWCNT was first functionalized by PEI (polyethyleneimine) followed by Pt deposit onto it. Black-Right-Pointing-Pointer PEI functionalization provided high density homogeneous functional groups on MWCNT's sidewall. Black-Right-Pointing-Pointer Cationic PEI leads to homogeneous dispersion in solutions such as water and organic solvents. Black-Right-Pointing-Pointer Pt/PEI/MWCNT catalyst exhibits excellent electrocatalytic activity compared to that of Pt/MWCNT catalyst obtained with polyvinylpyrrolidine (PVP). -- Abstract: Composite materials with highly dispersed platinum (Pt) nanoparticles on multiwalled carbon nanotubes (MWCNTs), functionalized with polyethyleneimine (PEI) by a noncovalent method were prepared. The PEI-functionalization provided high density homogeneous functional groups on the MWCNTs' sidewalls for binding Pt nanoparticles. Cationic PEI leads to homogeneous dispersion in solutions such as water and organic solvents. The effects of a reducing agent on the Pt nanoparticles that form on the surfaces of the MWCNT were studied by varying the molar ratio of NaOH to H{sub 2}PtCl{sub 6}. These composite materials were characterized with transmission electron micrograph (TEM), X-ray diffractometer (XRD) and X-ray photoelectron spectroscopy (XPS). The Pt/PEI-MWCNT catalyst exhibits excellent electrocatalytic activity and compared with Pt/PVP-MWCNT catalysts obtained with polyvinylpyrrolidone (PVP). Finally, the cyclic voltammogram of methanol electrooxidation for Pt/PEI-MWCNT shows better tolerance to CO and methanol oxidation to CO{sub 2} than of Pt/PVP-MWCNT.

36 MATERIALS SCIENCE↗

Structure dependent electrical properties of Ni-Mg-Cu nano ferrites

Nano ferrites with the general chemical formula Ni{sub 0.5}Mg{sub x}Cu{sub 1-x} Fe{sub 2}O{sub 4} were synthesized by chemical route. They were characterized by x-ray diffraction by powder method. The diffraction patterns confirm the formation of single phase ferrites. The particle size is calculated by Scherrer formula which varies between 20nm to 60nm. DC resistivity was measured as a function of composition from room temperature to 700{sup o} C by two probe method. These ferrites show higher resistivity than those synthesized by ceramic method, due to control over composition and morphology. This leads to the elimination of domain wall resonance so that the materials can work at higher frequencies. AC resistivity was measured as a function of frequency at room temperature. Dielectric dispersion obeys Maxwell - Wagner model, in accordance with Koop’s phenomenological theory. The variation of loss angle follows the variation of ac resistivity with frequency and composition. The change in ac conductivity with frequency obeys the power law σ{sub a} = B.ω{sup n}. Such a behavior suggests that conductivity is due to polarons in all the samples.

36 MATERIALS SCIENCE↗

Compositional Models of Glass/Melt Properties and their Use for Glass Formulation

Nuclear waste glasses must simultaneously meet a number of criteria related to their processability, product quality, and cost factors. The properties that must be controlled in glass formulation and waste vitrification plant operation tend to vary smoothly with composition allowing for glass property-composition models to be developed and used. Models have been fit to the key glass properties. The properties are transformed so that simple functions of composition (e.g., linear, polynomial, or component ratios) can be used as model forms. The model forms are fit to experimental data designed statistically to efficiently cover the composition space of interest. Examples of these models are found in literature. The glass property-composition models, their uncertainty definitions, property constraints, and optimality criteria are combined to formulate optimal glass compositions, control composition in vitrification plants, and to qualify waste glasses for disposal. An overview of current glass property-composition modeling techniques is summarized in this paper along with an example of how those models are applied to glass formulation and product qualification at the planned Hanford high-level waste vitrification plant.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Combinatorial screening of crystal structure in Ba-Sr-Mn-Ce perovskite oxides with ABO 3 stoichiometry

ABO 3 oxides with the perovskite-related structures are attracting significant interest due to their promising physical and chemical properties for many applications requiring tunable chemistry, including fuel cells, catalysis, and electrochemical water splitting. Here we report on the crystal structure of the entire family of perovskite oxides with ABO 3 stoichiometry, where A and B are Ba, Sr, Mn, Ce. Given the vast size of this chemically complex material system, exploration for stable perovskite-related structures with respect to its constituent elements and annealing temperature is performed by combinatorial pulsed laser deposition and spatially-resolved characterization of composition and structure. As a result of this high-throughput experimental study, we identify hexagonal perovskite-related polytypic transformation as a function of composition in the Ba 1-x Sr x MnO 3 oxides after annealing at different temperatures. Furthermore, a hexagonal perovskite-related polytype is observed in a narrow composition-temperature range of the Ba 1-x Sr x MnO 3 oxides. In contrast, a tetragonally-distorted perovskite is observed across a wider range of compositions and annealing temperatures in the Sr 1-x Ce x MnO 3 oxides. This structure stability is further enhanced along the Ba 1-x Sr x MnO 3 - Sr 1-x Ce x MnO 3 pseudo-binary tie-line at x=0.25 by increasing Ba-incorporation and annealing temperature. These results indicate that the BaCe x Mn 1-x O 3 - Sr 1-x Ce x MnO 3 pseudo-binary oxide alloys (solid solutions) with tetragonal perovskite structure and broad composition-temperature range of stability are promising candidates for thermochemical water splitting applications.

36 MATERIALS SCIENCE↗

Thermoelastic response of metal matrix composites with large-diameter fibers subjected to thermal gradients

A new micromechanical theory is presented for the response of heterogeneous metal matrix composites subjected to thermal gradients. In contrast to existing micromechanical theories that utilize classical homogenization schemes in the course of calculating microscopic and macroscopic field quantities, in the present approach the actual microstructural details are explicitly coupled with the macrostructure of the composite. Examples are offered that illustrate limitations of the classical homogenization approach in predicting the response of thin-walled metal matrix composites with large-diameter fibers when subjected to thermal gradients. These examples include composites with a finite number of fibers in the thickness direction that may be uniformly or nonuniformly spaced, thus admitting so-called functionally gradient composites. The results illustrate that the classical approach of decoupling micromechanical and macromechanical analyses in the presence of a finite number of large-diameter fibers, finite dimensions of the composite, and temperature gradient may produce excessively conservative estimates for macroscopic field quantities, while both underestimating and overestimating the local fluctuations of the microscopic quantities in different regions of the composite. Also demonstrated is the usefulness of the present approach in generating favorable stress distributions in the presence of thermal gradients by appropriately tailoring the internal microstructure details of the composite.

Aboudi, Jacob↗