Showing papers by "Oak Ridge National Laboratory published in 2005"

On the Separation of Net Ecosystem Exchange into Assimilation and Ecosystem Respiration: Review and Improved Algorithm

Abstract: This paper discusses the advantages and disadvantages of the different methods that separate net ecosystem exchange (NEE) into its major components, gross ecosystem carbon uptake (GEP) and ecosystem respiration (Reco). In particular, we analyse the effect of the extrapolation of night-time values of ecosystem respiration into the daytime; this is usually done with a temperature response function that is derived from long-term data sets. For this analysis, we used 16 one-year-long data sets of carbon dioxide exchange measurements from European and US-American eddy covariance networks. These sites span from the boreal to Mediterranean climates, and include deciduous and evergreen forest, scrubland and crop ecosystems. We show that the temperature sensitivity of Reco, derived from long-term (annual) data sets, does not reflect the short-term temperature sensitivity that is effective when extrapolating from night- to daytime. Specifically, in summer active ecosystems the long

WebGestalt: an integrated system for exploring gene sets in various biological contexts

Abstract: High-throughput technologies have led to the rapid generation of large-scale datasets about genes and gene products. These technologies have also shifted our research focus from ‘single genes’ to ‘gene sets’. We have developed a web-based integrated data mining system, WebGestalt (http://genereg.ornl.gov/webgestalt/), to help biologists in exploring large sets of genes. WebGestalt is composed of four modules: gene set management, information retrieval, organization/visualization, and statistics. The management module uploads, saves, retrieves and deletes gene sets, as well as performs Boolean operations to generate the unions, intersections or differences between different gene sets. The information retrieval module currently retrieves information for up to 20 attributes for all genes in a gene set. The organization/visualization module organizes and visualizes gene sets in various biological contexts, including Gene Ontology, tissue expression pattern, chromosome distribution, metabolic and signaling pathways, protein domain information and publications. The statistics module recommends and performs statistical tests to suggest biological areas that are important to a gene set and warrant further investigation. In order to demonstrate the use of WebGestalt, we have generated 48 gene sets with genes over-represented in various human tissue types. Exploration of all the 48 gene sets using WebGestalt is available for the public at http://genereg.ornl.gov/webgestalt/wg_enrich.php.

Complexity in Strongly Correlated Electronic Systems

Abstract: A wide variety of experimental results and theoretical investigations in recent years have convincingly demonstrated that several transition metal oxides and other materials have dominant states that are not spatially homogeneous. This occurs in cases in which several physical interactions-spin, charge, lattice, and/or orbital-are simultaneously active. This phenomenon causes interesting effects, such as colossal magnetoresistance, and it also appears crucial to understand the high-temperature superconductors. The spontaneous emergence of electronic nanometer-scale structures in transition metal oxides, and the existence of many competing states, are properties often associated with complex matter where nonlinearities dominate, such as soft materials and biological systems. This electronic complexity could have potential consequences for applications of correlated electronic materials, because not only charge (semiconducting electronic), or charge and spin (spintronics) are of relevance, but in addition the lattice and orbital degrees of freedom are active, leading to giant responses to small perturbations. Moreover, several metallic and insulating phases compete, increasing the potential for novel behavior.

Separation of CO2 from Flue Gas: A Review

Abstract: As a result of human activity, approximately 7 Gt of carbon are emitted to the earth's atmosphere each year. A large portion of this carbon is in the form of gaseous CO2, and approximately 30% of this CO2 comes from fossil fuel power plants. In addition to rising levels of atmospheric CO2, the earth's temperature is increasing. Since CO2 can act as a trap for heat (similar to the glass in a greenhouse), reduction of CO2 emissions is an important area of research. Separation and sequestration of CO2 are near‐term goals for emissions reduction. Better fuel efficiency (in power production, transportation, and other areas) can be considered a mid‐term goal. An acceptable long‐term goal for reducing emissions is using alternate power sources such as nuclear, solar, and wind power. Because separation and sequestration are short‐term goals, they are critical and challenging steps for researchers. Methods that are reviewed in this paper include absorption using solvents or solid sorbents, pressure‐ and t...

Development of switchgrass (Panicum virgatum) as a bioenergy feedstock in the United States.

Abstract: A 10-year US Department of Energy-sponsored research program designed to evaluate and develop switchgrass ( Panicum virgatum ), a native perennial warm-season grass, as a dedicated energy crop is reviewed. The programmatic objectives were to identify the best varieties and management practices to optimize productivity, while developing an understanding of the basis for long-term improvement of switchgrass through breeding and sustainable production in conventional agroecosystems. This research has reduced the projected production cost of switchgrass by about 25% ($8–9 Mg −1 ) through yield increases of about 50% achieved through selection of the best regionally adapted varieties; through optimizing cutting frequency and timing; and by reducing the level (by about 40%) and timing of nitrogen fertilization. Breeding research has made further gains in productivity of switchgrass that exceed the historical rate of yield improvement of corn. Studies of soil carbon storage under switchgrass indicate significant carbon sequestration will occur in soils that will improve soil productivity and nutrient cycling and can substantially augment greenhouse gas reductions associated with substituting renewable energy for fossil energy. Collaborative research with industry has included fuel production and handling in power production, herbicide testing and licensing, release of new cultivars, and genetic modifications for chemical coproduct enhancement. Economically based life cycle analyses based on this research suggest that switchgrass produced for energy will compete favorably both as an agricultural crop and as fuel for industry.

Forest response to elevated CO2 is conserved across a broad range of productivity.

Abstract: Climate change predictions derived from coupled carbon-climate models are highly dependent on assumptions about feedbacks between the biosphere and atmosphere. One critical feedback occurs if C uptake by the biosphere increases in response to the fossil-fuel driven increase in atmospheric [CO2] (“CO2 fertilization”), thereby slowing the rate of increase in atmospheric [CO2]. Carbon exchanges between the terrestrial biosphere and atmosphere are often first represented in models as net primary productivity (NPP). However, the contribution of CO2 fertilization to the future global C cycle has been uncertain, especially in forest ecosystems that dominate global NPP, and models that include a feedback between terrestrial biosphere metabolism and atmospheric [CO2] are poorly constrained by experimental evidence. We analyzed the response of NPP to elevated CO2 (≈550 ppm) in four free-air CO2 enrichment experiments in forest stands. We show that the response of forest NPP to elevated [CO2] is highly conserved across a broad range of productivity, with a stimulation at the median of 23 ± 2%. At low leaf area indices, a large portion of the response was attributable to increased light absorption, but as leaf area indices increased, the response to elevated [CO2] was wholly caused by increased light-use efficiency. The surprising consistency of response across diverse sites provides a benchmark to evaluate predictions of ecosystem and global models and allows us now to focus on unresolved questions about carbon partitioning and retention, and spatial variation in NPP response caused by availability of other growth limiting resources.

Quantum cluster theories

Abstract: This article reviews quantum cluster theories, a set of approximations for infinite lattice models which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a mean-field approximation. These methods become exact when the cluster size diverges, and most recover the corresponding mean-field approximation when the cluster size becomes 1. Although quantum cluster theories were originally developed to treat disordered systems, they have more recently been applied to the study of ordered and disordered correlated systems, which will be the focus of this review. After a brief historical review, the authors provide detailed derivations of three cluster formalisms: the cluster perturbation theory, the dynamical cluster approximation, and the cellular dynamical mean-field theory. They compare their advantages and review their applications to common models of correlated electron systems.

Gli2 and Gli3 Localize to Cilia and Require the Intraflagellar Transport Protein Polaris for Processing and Function

Abstract: Intraflagellar transport (IFT) proteins are essential for cilia assembly and have recently been associated with a number of developmental processes, such as left–right axis specification and limb and neural tube patterning. Genetic studies indicate that IFT proteins are required for Sonic hedgehog (Shh) signaling downstream of the Smoothened and Patched membrane proteins but upstream of the Glioma (Gli) transcription factors. However, the role that IFT proteins play in transduction of Shh signaling and the importance of cilia in this process remain unknown. Here we provide insights into the mechanism by which defects in an IFT protein, Tg737/Polaris, affect Shh signaling in the murine limb bud. Our data show that loss of Tg737 results in altered Gli3 processing that abrogates Gli3-mediated repression of Gli1 transcriptional activity. In contrast to the conclusions drawn from genetic analysis, the activity of Gli1 and truncated forms of Gli3 (Gli3R) are unaffected in Tg737 mutants at the molecular level, indicating that Tg737/Polaris is differentially involved in specific activities of the Gli proteins. Most important, a negative regulator of Shh signaling, Suppressor of fused, and the three full-length Gli transcription factors localize to the distal tip of cilia in addition to the nucleus. Thus, our data support a model where cilia have a direct role in Gli processing and Shh signal transduction.

Community Proteomics of a Natural Microbial Biofilm

Abstract: Using genomic and mass spectrometry-based proteomic methods, we evaluated gene expression, identified key activities, and examined partitioning of metabolic functions in a natural acid mine drainage (AMD) microbial biofilm community. We detected 2033 proteins from the five most abundant species in the biofilm, including 48% of the predicted proteins from the dominant biofilm organism, Leptospirillum group II. Proteins involved in protein refolding and response to oxidative stress appeared to be highly expressed, which suggests that damage to biomolecules is a key challenge for survival. We validated and estimated the relative abundance and cellular localization of 357 unique and 215 conserved novel proteins and determined that one abundant novel protein is a cytochrome central to iron oxidation and AMD formation.

Strong polarization enhancement in asymmetric three-component ferroelectric superlattices

Abstract: Theoretical predictions--motivated by recent advances in epitaxial engineering--indicate a wealth of complex behaviour arising in superlattices of perovskite-type metal oxides These include the enhancement of polarization by strain and the possibility of asymmetric properties in three-component superlattices Here we fabricate superlattices consisting of barium titanate (BaTiO3), strontium titanate (SrTiO3) and calcium titanate (CaTiO3) with atomic-scale control by high-pressure pulsed laser deposition on conducting, atomically flat strontium ruthenate (SrRuO3) layers The strain in BaTiO3 layers is fully maintained as long as the BaTiO3 thickness does not exceed the combined thicknesses of the CaTiO3 and SrTiO3 layers By preserving full strain and combining heterointerfacial couplings, we find an overall 50% enhancement of the superlattice global polarization with respect to similarly grown pure BaTiO3, despite the fact that half the layers in the superlattice are nominally non-ferroelectric We further show that even superlattices containing only single-unit-cell layers of BaTiO3 in a paraelectric matrix remain ferroelectric Our data reveal that the specific interface structure and local asymmetries play an unexpected role in the polarization enhancement

Irradiation-free, columnar defects comprised of self-assembled nanodots and nanorods resulting in strongly enhanced flux-pinning in YBa2Cu3O7−δ films

Abstract: The development of biaxially textured, second-generation, high-temperature superconducting (HTS) wires is expected to enable most large-scale applications of HTS materials, in particular electric-power applications. For many potential applications, high critical currents in applied magnetic fields are required. It is well known that columnar defects generated by irradiating high-temperature superconducting materials with heavy ions significantly enhance the in-field critical current density. Hence, for over a decade scientists world-wide have sought means to produce such columnar defects in HTS materials without the expense and complexity of ionizing radiation. Using a simple and practically scalable technique, we have succeeded in producing long, nearly continuous vortex pins along the c-axis in YBa2Cu3O7?? (YBCO), in the form of self-assembled stacks of BaZrO3 (BZO) nanodots and nanorods. The nanodots and nanorods have a diameter of ~2?3?nm and an areal density ('matching field') of 8?10?T for 2?vol.% incorporation of BaZrO3. In addition, four misfit dislocations around each nanodot or nanorod are aligned and act as extended columnar defects. YBCO films with such defects exhibit significantly enhanced pinning with less sensitivity to magnetic fields H. In particular, at intermediate field values, the current density, Jc, varies as Jc~H??, with ?~0.3 rather than the usual values 0.5?0.65. Similar results were also obtained for CaZrO3 (CZO) and YSZ incorporation in the form of nanodots and nanorods within YBCO, indicating the broad applicability of the developed process. The process could also be used to incorporate self-assembled nanodots and nanorods within matrices of other materials for different applications, such as magnetic materials.

U.S. program on materials technology for ultra-supercritical coal power plants

Abstract: The efficiency of conventional fossil power plants is a strong function of the steam temperature and pressure. Research to increase both has been pursued worldwide, since the energy crisis in the 1970s. The need to reduce CO2 emissions has recently provided an additional incentive to increase efficiency. More recently, interest has been evinced in advanced combustion technologies utilizing oxygen instead of air for combustion. The main enabling technology in achieving the above goals is the development of stronger high temperature materials. Extensive research-and-development programs have resulted in numerous high-strength alloys for heavy section piping and for tubing needed to build boilers. The study reported on here is aimed at identifying, evaluating, and qualifying the materials needed for the construction of the critical components of coal-fired boilers that are capable of operating with steam at temperatures of 760 °C (1400 °F) and pressures of 35 MPa (5000 psi). The economic viability of such a plant has been explored. Candidate alloys applicable to various ranges of temperatures have been identified. Stress rupture tests have been completed on the base metal and on welds to a number of alloys. Steamside oxidation tests in an autoclave at 650 °C (1200 °F) and 800 °C (1475 °F) have been completed. Fireside corrosion tests have been conducted under conditions simulating those of waterwalls and superheater/reheater tubes. The weldability and fabricability of the alloys have been investigated. The capabilities of various overlay coatings and diffusion coatings have been examined. This article provides a status report on the progress achieved to date on this project.

Progress in plasmonic engineering of surface-enhanced Raman-scattering substrates toward ultra-trace analysis.

Abstract: This review describes advances made toward the application of surface-enhanced Raman scattering (SERS) in sensitive analysis and diagnostics. In the early sections of this review we briefly introduce the fundamentals of SERS including a discussion of SERS at the single-molecule level. Applications relevant to trace analysis, environmental monitoring, and homeland security and defense, for example high explosives and contaminant detection, are emphasized. Because the key to wider application of SERS analysis lies in the development of highly enhancing substrates, in the second half of the review we focus our attention on the extensive progress made in designing innovative soluble, supported, and ordered SERS-active nano-architectures to harness the potential of this technique toward solving current and emerging analytical tasks. No attempt or claim is made to review the field exhaustively in its entirety nor to cover all applications, but only to describe several significant milestones and progress made in these important areas and to provide some perspective on where the field is quickly moving.

Harmonic optimization of multilevel converters using genetic algorithms

Abstract: In this letter, a genetic algorithm (GA) optimization technique is applied to determine the switching angles for a cascaded multilevel inverter which eliminates specified higher order harmonics while maintaining the required fundamental voltage. This technique can be applied to multilevel inverters with any number of levels. As an example, in this paper a seven-level inverter is considered, and the optimum switching angles are calculated offline to eliminate the fifth and seventh harmonics. These angles are then used in an experimental setup to validate the results.

Microstructural Design of Silicon Nitride with Improved Fracture Toughness: I, Effects of Grain Shape and Size

Abstract: The use of self-reinforcement by larger elongated grains in silicon nitride ceramics requires judicious control of the microstructure to achieve high steady-state toughness and high fracture strength. With a distinct bimodal distribution of grain diameters, such as that achieved by the addition of 2% rodlike seeds, the fracture resistance rapidly rises with crack extension to steady-state values of up to 10 MPa{center_dot}m{sup 1/2} and is accompanied by fracture strengths in excess of 1 GPa. When the generation of elongated reinforcing grains is not regulated, a broad grain diameter distribution is typically generated. While some toughening is achieved, both the plateau (steady-state) toughness and the R-curve response suffer, and the fracture strength undergoes a substantial reduction. Unreinforced equiaxed silicon nitride exhibits the least R-curve response with a steady-state toughness of only 3.5 MPa{center_dot}m{sup 1/2} coupled with a reduced fracture strength.

Noncovalent and Nonspecific Molecular Interactions of Polymers with Multiwalled Carbon Nanotubes

Abstract: Polymer composites containing variable amounts of multiwalled carbon nanotubes (MWNTs) have been prepared using solution dispersion and melt-shear mixing Various polymer composites with 1 wt % MWNTs have been found to dissolve homogeneously in organic solvents The amount of polymer coated or wrapped MWNTs dissolved in the solution was quantified using UV−vis absorbance at 500 nm and the concentration ratio of [MWNTs]solution/[MWNTs]composite was close to 1 A nonspecific polymer adsorption through multiple-weak molecular interactions of CH groups with MWNTs in the composites has been identified through FTIR spectroscopy The composites of polybutadiene with different wt % of MWNTs showed slight changes in the CH bending vibrations, indicating the presence of intermolecular CH−π interactions The dissolution of various polymer composites containing low concentration of MWNTs in organic solvents was attributed to polymer coating on the MWNTs via noncovalent and nonspecific CH−π interactions The dissoluti

The macrophage F4/80 receptor is required for the induction of antigen-specific efferent regulatory T cells in peripheral tolerance

Abstract: We show that the mouse macrophage-restricted F4/80 protein is not required for the development and distribution of tissue macrophages but is involved in the generation of antigen-specific efferent regulatory T (T reg) cells that suppress antigen-specific immunity. In the in vivo anterior chamber (a.c.)–associated immune deviation (ACAID) model of peripheral tolerance, a.c. inoculation of antigen into F4/80−/− mice was unable to induce efferent T reg cells and suppress delayed-type hypersensitivity (DTH) responses. Moreover, the use of anti-F4/80 mAb and F4/80−/− APCs in an in vitro ACAID model showed that all APC cells in the culture must be able to express F4/80 protein if efferent T reg cells were to be generated. In a low-dose oral tolerance model, WT but not F4/80−/− mice generated an efferent CD8+ T reg cell population that suppressed an antigen-specific DTH response. Peripheral tolerance was restored in F4/80−/− mice by adoptive transfer of F4/80+ APCs in both peripheral tolerance models, indicating a central role for the F4/80 molecule in the generation of efferent CD8+ T reg cells.

Study of the B- → J/ΨK -π+π- decay and measurement of the B - → X(3872)K- branching fraction

Abstract: The authors study the decay B{sup -} {yields} J/{psi}K{sup -}{pi}{sup +}{pi}{sup -} using 117 million B{bar B} events collected at the {Upsilon}(4S) resonance with the BaBar detector at the PEP-II e{sup +}e{sup -} asymmetric-energy storage ring. They measure the branching fractions {Beta}(B{sup -} {yields} J/{psi}K{sup -} {pi}{sup +}{pi}{sup -}) = (116 {+-} 7(stat.) {+-} 9(syst.)) x 10{sup -5} and {Beta}(B{sup -} {yields} X(3872)K{sup -}) x {Beta}(X(3872) {yields} J/{psi}{pi}{sup +}{pi}{sup -}) = (1.28 {+-} 0.41) x 10{sup -5} and find the mass of the X(3872) to be 3873.4 {+-} 1.4MeV/c{sup 2}. They search for the h{sub c} narrow state in the decay B{sup -} {yields} h{sub c} K{sup -}, h{sub c} {yields} J/{psi}{pi}{sup +}{pi}{sup -} and for the decay B{sup -} {yields} J/{psi}D{sup 0}{pi}{sup -}, with D{sup 0} {yields} K{sup -}{pi}{sup +}. They set the 90% C.L. limits {Beta}(B{sup -} {yields} h{sub c}K{sup -}) x {Beta}(h{sub c} {yields} J/{psi}{pi}{sup +}{pi}{sup -}) < 3.4 x 10{sup -6} and {Beta}(B{sup -} {yields} J/{psi}D{sup 0}{pi}{sup -}) < 5.2 x 10{sup -5}.

Microstructural Changes of Membrane Electrode Assemblies during PEFC Durability Testing at High Humidity Conditions

Abstract: Morphological changes occurring in membrane electrode assemblies (MEAs) were monitored using transmission electron microscopy (TEM) during the course of life testing of H 2 /air polymer electrolyte fuel cells (PEFCs). In the fresh catalyst layers, anode Pt particles were found to have smaller particle sizes, better dispersion, and less agglomeration on the carbon-support surfaces than did the cathode Pt 3 Cr alloy particles. The operation-induced agglomeration of catalyst particles was evaluated for both the anode and cathode after defined life testing periods. Agglomeration of catalyst particles occurred primarily during the first 500 h of testing, which was confirmed by both TEM analysis and electrocatalytic surface area measurement. After 500 h, degradation of the recast Nafion ionomer network within the catalyst layers likely contributes more significantly to MEA performance degradation. Migration of metal catalyst particles toward the interface between the catalyst layer and membrane was observed at both electrodes. The Pt anode catalyst was less stable than the Pt 3 Cr cathode catalyst under high current density and high humidity conditions, which was confirmed by the higher extent of migration observed for the pure Pt than for the Pt 3 Cr. Some Pt particles (from both electrodes) were found to migrate into the membrane during the testing period.

In situ measurements and modeling of carbon nanotube array growth kinetics during chemical vapor deposition

Abstract: Direct measurements of carbon nanotube growth kinetics are described based upon time-resolved reflectivity (TRR) of a HeNe laser beam from vertically aligned nanotube arrays (VANTAs) as they grow during chemical vapor deposition (CVD). Growth rates and terminal lengths were measured in situ for VANTAs growing during CVD between 535 °C and 900 °C on Si substrates with evaporated Al/Fe/Mo multi-layered catalysts and acetylene feedstock at different feedstock partial pressures. Methods of analysis of the TRR signals are presented to interpret catalyst particle formation and oxidation, as well as the porosity of the VANTAs. A rate-equation model is developed to describe the measured kinetics in terms of activation energies and rate constants for surface carbon formation and diffusion on the catalyst nanoparticle, nanotube growth, and catalyst over-coating. Taken together with the TRR data, this model enables basic understanding and optimization of growth conditions for any catalyst/feedstock combination. The model lends insight into the main processes responsible for the growth of VANTAs, the measured number of walls in the nanotubes at different temperatures, conditions for growth of single-wall carbon nanotube arrays, and likely catalyst poisoning mechanisms responsible for the sharp decline in growth rates observed at high temperatures.

Document clustering using particle swarm optimization

Abstract: Fast and high-quality document clustering algorithms play an important role in effectively navigating, summarizing, and organizing information. Recent studies have shown that partitional clustering algorithms are more suitable for clustering large datasets. However, the K-means algorithm, the most commonly used partitional clustering algorithm, can only generate a local optimal solution. In this paper, we present a particle swarm optimization (PSO) document clustering algorithm. Contrary to the localized searching of the K-means algorithm, the PSO clustering algorithm performs a globalized search in the entire solution space. In the experiments we conducted, we applied the PSO, K-means and hybrid PSO clustering algorithm on four different text document datasets. The number of documents in the datasets ranges from 204 to over 800, and the number of terms ranges from over 5000 to over 7000. The results illustrate that the hybrid PSO algorithm can generate more compact clustering results than the K-means algorithm.

Development of Low‐Toxicity Gelcasting Systems

Abstract: A series of low-toxicity gelcasting systems has been developed. The reagents used in these systems have very low acute toxicity. The new systems perform at least as well as, and in some cases better than, the original acrylamide-based system. The development of these systems is described herein, including the search for new gel compositions, the study of suspensions made with the new gel precursor solutions, and pyrolysis of the dried gels and gelcast parts. Applications of the new gelcasting systems include complex silicon nitride parts, large-diameter rings, rapid prototyping by green machining, and metal-powder gel casting.

A Loading-Dependent Model of Probabilistic Cascading Failure

Abstract: We propose an analytically tractable model of loading-dependent cascading failure that captures some of the salient features of large blackouts of electric power transmission systems. This leads to a new application and derivation of the quasibinomial distribution and its generalization to a saturating form with an extended parameter range. The saturating quasibinomial distribution of the number of failed components has a power-law region at a critical loading and a significant probability of total failure at higher loadings.