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At least 1,441 records · Page 80

Using Complementary Methods of Synchrotron Radiation Powder Diffraction and Pair Distribution Function to Refine Crystal Structures with High Quality Parameters—A Review

Determination of the atomic-scale structures of certain fine-grained minerals using single-crystal X-ray diffraction (XRD) has been challenging because they commonly occur as submicron and nanocrystals in the geological environment. Synchrotron powder diffraction and scattering techniques are useful complementary methods for studying this type of minerals. In this review, we discussed three example studies investigated by combined methods of synchrotron radiation XRD and pair distribution function (PDF) techniques: (1) low-temperature cristobalite; (2) kaolinite; and (3) vernadite. Powder XRD is useful to determine the average structure including unit-cell parameters, fractional atomic coordinates, occupancies and isotropic atomic displacement parameters. X-ray/Neutron PDF methods are sensitive to study the local structure with anisotropic atomic displacement parameters (ADP). The results and case studies suggest that the crystal structure and high-quality ADP values can be obtained using the combined methods. The method can be useful to characterize crystals and minerals that are not suitable for single-crystal XRD.

58 GEOSCIENCES↗

Gene Gangs of the Chloroviruses: Conserved Clusters of Collinear Monocistronic Genes

Chloroviruses (family Phycodnaviridae) are dsDNA viruses found throughout the world’s inland waters. The open reading frames in the genomes of 41 sequenced chloroviruses (330 ± 40 kbp each) representing three virus types were analyzed for evidence of evolutionarily conserved local genomic “contexts”, the organization of biological information into units of a scale larger than a gene. Despite a general loss of synteny between virus types, we informatically detected a highly conserved genomic context defined by groups of three or more genes that we have termed “gene gangs”. Unlike previously described local genomic contexts, the definition of gene gangs requires only that member genes be consistently co-localized and are not constrained by strand, regulatory sites, or intervening sequences (and therefore represent a new type of conserved structural genomic element). An analysis of functional annotations and transcriptomic data suggests that some of the gene gangs may organize genes involved in specific biochemical processes, but that this organization does not involve their coordinated expression.

59 BASIC BIOLOGICAL SCIENCES↗

A double peak in the seasonality of California's photosynthesis as observed from space

Solar-induced chlorophyll fluorescence (SIF) has been shown to be a powerful proxy for photosynthesis and gross primary productivity (GPP). The recently launched TROPOspheric Monitoring Instrument (TROPOMI) features the required spectral resolution and signal-to-noise ratio to retrieve SIF from space. Here, we present a downscaling method to obtain 500 m spatial resolution SIF over California. We report daily values based on a 14 d window. TROPOMI SIF data show a strong correspondence with daily GPP estimates at AmeriFlux sites across multiple ecosystems in California. We find a linear relationship between SIF and GPP that is largely invariant across ecosystems with an intercept that is not significantly different from zero. Measurements of SIF from TROPOMI agree with MODerate Resolution Imaging Spectroradiometer (MODIS) vegetation indices – the normalized difference vegetation index (NDVI), enhanced vegetation index (EVI), and near-infrared reflectance of vegetation index (NIR$_v$) – at annual timescales but indicate different temporal dynamics at monthly and daily timescales. TROPOMI SIF data show a double peak in the seasonality of photosynthesis, a feature that is not present in the MODIS vegetation indices. The different seasonality in the vegetation indices may be due to a clear-sky bias in the vegetation indices, whereas previous work has shown SIF to have a low sensitivity to clouds and to detect the downregulation of photosynthesis even when plants appear green. We further decompose the spatiotemporal patterns in the SIF data based on land cover. The double peak in the seasonality of California's photosynthesis is due to two processes that are out of phase: grasses, chaparral, and oak savanna ecosystems show an April maximum, while evergreen forests peak in June. An empirical orthogonal function (EOF) analysis corroborates the phase offset and spatial patterns driving the double peak. The EOF analysis further indicates that two spatiotemporal patterns explain 84 % of the variability in the SIF data. Results shown here are promising for obtaining global GPP at sub-kilometer spatial scales and identifying the processes driving carbon uptake.

54 ENVIRONMENTAL SCIENCES↗

Climate and hydraulic traits interact to set threshold for liana viability

This collection contains the datasets required to reproduce the analysis and figures for the publication titled "Climate and hydraulic traits interact to set thresholds for liana viability" by Willson et al. The CSV titled "extended_met_analysis_data_8_Feb.csv" contains the processed dataset from our extended meta-analysis of tropical tree and liana hydraulic traits. The CSV titled "filtered_TRY_analysis_16-03-21.csv" contains the processed dataset from our TRY analysis of functional traits of tropical trees and lianas. The zip file titled "TRY.zip" contains the raw data files downloaded from the TRY database, from which we derived our processed TRY dataset.

54 ENVIRONMENTAL SCIENCES↗

2011 Plant Lipids: Structure, Metabolism, & Function Gordon Research Conference

This is the second Gordon Research Conference on 'Plant Lipids: Structure, Metabolism & Function'. It covers current topics in lipid structure, metabolism and function in eukaryotic photosynthetic organisms including seed plants, algae, mosses and ferns. Work in photosynthetic bacteria is considered as well as it serves the understanding of specific aspects of lipid metabolism in plants. Breakthroughs are discussed in research on plant lipids as diverse as glycerolipids, sphingolipids, lipids of the cell surface, isoprenoids, fatty acids and their derivatives. The program covers nine concepts at the forefront of research under which afore mentioned plant lipid classes are discussed. The goal is to integrate areas such as lipid signaling, basic lipid metabolism, membrane function, lipid analysis, and lipid engineering to achieve a high level of stimulating interaction among diverse researchers with interests in plant lipids. One Emphasis is on the dynamics and regulation of lipid metabolism during plant cell development and in response to environmental factors.

59 BASIC BIOLOGICAL SCIENCES↗

Materials for defense/aerospace applications (NON-SV)

Through this effort, Sandia and Lockheed Martin Aeronautics Company (LM Aero) sought to assess the feasibility of (1) applying special materials to a defense application; (2) developing a piezoelectric-based micro thermophotovoltaic (TPV) cell; and (3) building and delivering a prototype laboratory emission measurement system. This project supported the Stockpile Research & Development Program by contributing to the development of radio frequency (RF) MEMS- and optical MEMS-based components - such as switches, phase shifters, oscillators, and filters - with improved performance and reduced weight and size. Investigation of failure mechanisms and solutions helped to ensure that MEMS-based technology will meet performance requirements and long term reliability goals in the specified environments dictated by Lockheed Martin's commercial and defense applications. The objectives of this project were to (1) fabricate and test materials for military applications; (2) perform a feasibility study of a piezoelectric-based micro TPV cell; and (3) build and deliver a prototype laboratory emission measurement system. Sandia fabricated and tested properties of materials, studied options for manufacturing scale-up, and delivered a prototype IR Emissometer. LM Aero provided material requirements and designs. Both participated in the investigation of attachment methods and environmental effects on material performance, a feasibility study of piezoelectric TPV cells, an investigation and development of new approaches to implement the required material functionality, and analysis and validation of material performance physics, numerical models, and experimental metrology.

36 MATERIALS SCIENCE↗

Molecules to Materials for PEC Water Splitting

Advances in heterogeneous catalysis are driven by the formation of structure-property relationships at solid-liquid and solid-gaseous interfaces. The establishment of these relationships relies on cooperative research efforts on several fronts: prediction and analysis using high-level theoretical models, the development of new synthetic methods to prepare specific solid-state compositions and structures, new analytical methods to identify the active site and define interfacial properties, and mechanistic analysis of functioning catalysts. However, customized materials that allow for fine control of the interfacial properties at solid-liquid boundaries represent difficult synthetic targets. We have been investigating molecular synthons as precursors to advanced materials to address this challenge. In this presentation, we will discuss (1) the chemistry of molecular inorganic complexes, (2) their conversion to mixed-metal oxides, and (3) structure-property relationships of the resulting oxides relevant to PEC water splitting.

36 MATERIALS SCIENCE↗

Local atomic structural investigations of precursory phenomenon of the hydrogen release from LiAlD4

Local atomic structural investigations of LiAlD4, which is composed of Li+ and [AlD4], at 40 300 K were studied by total neutron scattering combined with pair distribution function (PDF) analysis for understanding of hydrogen release from LiAlD4. The results showed that the Al D pair distribution almost unchanged, while the Li D pair distribution clearly started to broaden and shrink above 200 250 K. The shrinking of the Li D pair distribution might lead to the local generation of LiD, which was speculated as the precursory phenomenon for the hydrogen release from LiAlD4.

Sato, Toyoto↗

ISMB Conference Proceedings

This special issue comprises the papers accepted for presentation at the 19th Annual International Conference on Intelligent Systems for Molecular Biology, joint with the 10th European Conference on Computational Biology, an official conference of the International Society for Computational Biology (ISCB; http://www.iscb.org). ISMB/ECCB 2011 (http://www.iscb.org/ismb2011/) will take place in Vienna, Austria, from July 17 through July 19, 2011; preceded during July 14–16 by eight 1- or 2- day Special Interest Group (SIG) meetings, three satellite meetings and nine half-day tutorials; and followed by two additional satellite meetings. The 48 papers in this volume were selected from 258 submitted papers. Submitted papers were assigned to 13 areas. Area Chairs led each topic area by selecting their area's program committee and overseeing the reviewing process. Many Area Chairs were new compared to 2010, and two completely new areas were added in 2011, ‘Data Visualization’ and ‘Mass Spectrometry and Proteomics’. Six papers for which Area Chairs were in conflict were reviewed under a ‘Conflicts Management’ section headed by the Proceedings Chairs; one such paper was accepted in ‘Bioimaging’. Areas, co-chairs and acceptance information are listed in Table 1. Compared to prior years, five mature topic areas had steady submissions, ‘Evolution and Comparative Genomics’, ‘Gene Regulation and Transcriptomics’, ‘Protein Structure and Function’, ‘Sequence Analysis’, ‘Text Mining’. Two areas newer to ISMB were underrepresented this year, ‘Bioimaging’ and ‘Disease Models and Epidemiology’. One area doubled, ‘Applied Bioinformatics’, renamed from last year's ‘Other Bioinformatics Applications’; and one tripled, ‘Protein Interactions and Molecular Networks’. Across the areas, 326 members of the bioinformatics community provided reviews. Most papers received three reviews and several received four or more. There was significant discussion of the merits of the papers first between referees and the Area Chairs, and then between Area Chairs and the proceedings chairs. Initial decisions to accept papers were made during a comprehensive conference call with the Area Chairs, and several papers underwent a further evaluation by additional Area Chairs before acceptance decisions were finalized. We appreciate that in several cases reviewers' opinions might have changed with additional input or further clarifications from the authors; because the ISMB/ECCB 2011 timeline did not allow for a second round of reviews, however, only papers where referees suggested minor revisions could be accepted. For several papers where referee comments might have been unclear to the authors, Area Chairs added additional comments and explanations. In total, 48 papers were conditionally accepted, pending revision. After acceptance notices were sent, the authors had 2 weeks to modify their papers according to the suggestions made by the reviewers and to respond to the reviewers' comments. Modified papers and authors' responses were reexamined during the next week to ensure each paper was modified appropriately in response to the reviewers' comments. We were pleased that all 48 conditionally accepted papers were finally accepted for the conference. The final acceptance rate was 19%, similar to the rates of 20% and 19% in the two prior years. Collectively, the 48 accepted papers had 185 authors from 18 countries across 6 continents, with 82 authors from North America, 54 from Europe, 25 from Asia (excluding Israel), 10 from Israel, 9 from Australia, 4 from South America and 1 author from Africa. We thank the area chairs and reviewers for their hard work and dedication to maintaining a professional review process. We thank all authors of submitted papers and authors of accepted papers for their diligences in responding to reviewer comments within 2 weeks. We thank Steven Leard's team for extensive technical support with the EasyChair submission and reviewing system; Mona Singh and Joel S. Bader for sharing their experience from last year; the team at Oxford University Press for typesetting the papers; Conference Chairs Burkhard Rost, Michal Linial, Peter Schuster and Kurt Zatloukal, as well as the ISMB/ECCB 2011 Steering Committee, for their valuable input; and Steven Leard for helping us oversee the process.

60 APPLIED LIFE SCIENCES↗

An Optimization Framework for Dynamic Hybrid Energy Systems

A computational framework for the efficient analysis and optimization of dynamic hybrid energy systems (HES) is developed. A microgrid system with multiple inputs and multiple outputs (MIMO) is modeled using the Modelica language in the Dymola environment. The optimization loop is implemented in MATLAB, with the FMI Toolbox serving as the interface between the computational platforms. Two characteristic optimization problems are selected to demonstrate the methodology and gain insight into the system performance. The first is an unconstrained optimization problem that optimizes the dynamic properties of the battery, reactor and generator to minimize variability in the HES. The second problem takes operating and capital costs into consideration by imposing linear and nonlinear constraints on the design variables. The preliminary optimization results obtained in this study provide an essential step towards the development of a comprehensive framework for designing HES.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Critical node treatment in the analytic function expansion method for Pin Power Reconstruction

Pin Power Reconstruction (PPR) was implemented in PARCS using the eight term analytic function expansion method (AFEN). This method has been demonstrated to be both accurate and efficient. However, similar to all the methods involving analytic functions, such as the analytic node method (ANM) and AFEN for nodal solution, the use of AFEN for PPR also has potential numerical issue with critical nodes. The conventional analytic functions are trigonometric or hyperbolic sine or cosine functions with an angular frequency proportional to buckling. For a critic al node the buckling is zero and the sine functions becomes zero, and the cosine function become unity. In this case, the eight terms of the analytic functions are no longer distinguishable from ea ch other which makes their corresponding coefficients can no longer be determined uniquely. The mode flux distribution of critical node can be linear while the conventional analytic functions can only express a uniform distribution. If there is critical or near critical node in a plane, the reconstructed pin power distribution is often be shown negative or very large values using the conventional method. In this paper, we propose a new method to avoid the numerical problem wit h critical nodes which uses modified trigonometric or hyperbolic sine functions which are the ratio of trigonometric or hyperbolic sine and its angular frequency. If there are no critical or near critical nodes present, the new pin power reconstruction method with modified analytic functions are equivalent to the conventional analytic functions. The new method is demonstrated using the L336C5 benchmark problem. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Characterization and Well Remediation Strategies for Improved Long-term Pump and Treat System Injection Well Performance - 17272

In June of 2012 the CH2M Hill Plateau Remediation Company completed construction of a 2,500 gallon-per-minute (gpm) pump and treat (P and T) system designed to remove technetium-99, uranium, carbon tetrachloride, trichloroethene, nitrate, and total and hexavalent chromium from incoming groundwater. The entire pump and treat system consists of the following primary components: 1) extraction wells (20+); 2) a radionuclide removal facility; 3) a biological system; 4) sludge processing; 5) vapor processing; and 6) injection wells. Overall efficiency of the 200 West P and T has been adversely impacted due to fouling in vertical injection wells where treated water is being reinjected into the subsurface. Fouling of the wells is thought to be caused by bacteria producing extracellular polymeric substances (EPS), as well as high manganese and iron in the biofilm. Due to decreased specific injectivity, all injection wells are on a maintenance schedule requiring rehabilitation. During rehabilitation, the wells are out of service affecting the overall capacity of the P and T, plus the rehabilitation process adds hundreds of thousands of dollars of cost to operate the P and T each year. Chemical and biological foulants may be coming from the P and T or are already present in the subsurface and active pumping has stimulated growth of the microbes present. Chemical and microbiological characterization efforts are in progress for the biological plant and injection well system to determine causative agents in the biofouling. P and T effluent tank samples, injection well distribution tanks, bailed samples from the fouled well, and post-rehabilitation samples were analyzed. Chemical constituents analyzed include, sulfate, phosphorus, chemical oxygen demand, total organic carbon, and iron. Microbial characterization included total heterotrophs, anaerobic heterotrophs, nitrate reducing bacteria, iron reducing bacteria and sulfate reducing bacteria. Molecular biological tools employed included 16S rRNA meta-genomes, and functional gene analysis using qPCR. Chemical analysis of the P and T effluent and injection well tanks showed the presence of ∼6.5 mg/L nitrate, 96 mg/L sulfate and phosphorus levels below 1 mg/L. Bailed samples from the injection well showed similar concentrations for each chemical, but following cleaning, TOC, total iron, manganese and other constituents were higher than prior to cleaning. These data show that bacterial nutrients and metals that may precipitate are present in the well water and are likely the causative agent in the biofouling. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The overview in safety review of human factors engineering and control room design in chinese AP1000 nuclear power plant - 174

The first AP1000 nuclear power plant is constructed in Sanmen county in Zhejiang Province in China, which has creative and distinctive design characteristics. Human factors engineering disciplines are applied to the design of the AP1000. In addition to the elements of the program review model(including human factors engineering program management, operating experience review, functional requirements analysis and allocation, task analysis, staffing, integration of human reliability analysis with human factors engineering, human system interface design, procedure development, training program development, human system interface verification and validation, design implementation, human performance monitoring),the minimum inventory of controls, displays, and alarms present in the main control room and at the remote shutdown workstation. These contents mentioned above are reviewed according to standards, rules and regulations. This article introduces review process, and several important issues during the reviewing are described in detail. These issues include many elements, such as operating experience review, task analysis, human system interface design, verification and validation,and so on. This paper emphasizes on the main control room design(including environment and layout). Background noise in the actual main control room may exceed too much to design value. Another important issue is about main control room habitability systems(VES) changes to satisfy post-actuation performance requirements in AP1000 design change proposal. All the wall panel displays will be closed in this design change proposal. Review process and proposal are described in the paper. Since the AP1000 unit in China is the first constructed all over the world, verification and validation are especially important and necessary. The plan of verification and validation, the results summary report of verification and validation, the report of human engineering discrepancies are focus attention. Verification and validation in human factors engineering include HSI task support verification, HFE design verification and integrated system validation. This paper introduces the review process of verification and validation, the issues found in verification and validation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Application of HFE to the design and V and V of a computerized procedure system: benefits and challenges - 234

The application of Human Factors Engineering (HFE) practices to the Human Machine Interface design and subsequent Verification and Validation (V and V) is a widely applied practice when talking about the design of complete control rooms or important control room modernizations, but not so often applied to the design of computerized operator support systems. In order to overcome the challenges faced on designing a Computerized Operation Support System (COSS) that meets the process efficiency requirements and integrates seemingly with hybrid plant operation concept, the involvement of a HFE team early in the COSS design and implementation process along with operation, Instrumentation and Control (I and C) and cybersecurity experts will guarantee the project success. This paper documents the HFE process applied during the design and evaluation of a Computerized Procedure System (CPS) and how final product was shaped to ensure that the transition from paper to computerized procedures will help in meeting Delivering the Nuclear Promise (DNP) goals, improving plant efficiency. The HFE program included the following activities: 1. A review of existing operating experience 2. An analysis of functions and tasks associated to the use and maintenance of CPS 3. A design verification of the system to meet guidelines prescribed in the NUREG-0700 (Rev.2), requirements of the ISG-05 and cybersecurity criteria (NEI 08-09, IEC-62646, EPRI 1015313, these among others). 4. An integrated system validation in a full scope simulator The application of HFE practices in the design and implementation of COSS helps not only to ensure that efficiency and safety improvement requirements are met, but also to evaluate the potential return of the investment, that such tools should bring. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗