Sample records for determination improved structure

  1. Structure of CPV17 polyhedrin determined by the improved analysis of serial femtosecond crystallographic data

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ginn, Helen M.; Messerschmidt, Marc; Ji, Xiaoyun; Zhang, Hanwen; Axford, Danny; Gildea, Richard J.; Winter, Graeme; Brewster, Aaron S.; Hattne, Johan; Wagner, Armin; et al

    2015-03-09T23:59:59.000Z

    The X-ray free-electron laser (XFEL) allows the analysis of small weakly diffracting protein crystals, but has required very many crystals to obtain good data. Here we use an XFEL to determine the room temperature atomic structure for the smallest cytoplasmic polyhedrosis virus polyhedra yet characterized, which we failed to solve at a synchrotron. These protein microcrystals, roughly a micron across, accrue within infected cells. We use a new physical model for XFEL diffraction, which better estimates the experimental signal, delivering a high-resolution XFEL structure (1.75 Å), using fewer crystals than previously required for this resolution. The crystal lattice and proteinmore »core are conserved compared with a ?polyhedrin with less than 10% sequence identity. We explain how the conserved biological phenotype, the crystal lattice, is maintained in the face of extreme environmental challenge and massive evolutionary divergence. Our improved methods should open up more challenging biological samples to XFEL analysis.« less

  2. Improving the chances of successful protein structure determination with a random forest classifier

    SciTech Connect (OSTI)

    Jahandideh, Samad [Sanford-Burnham Medical Research Institute, 10901 North Torrey Pines Road, La Jolla, CA 92307 (United States); Joint Center for Structural Genomics, (United States); Jaroszewski, Lukasz; Godzik, Adam, E-mail: adam@burnham.org [Sanford-Burnham Medical Research Institute, 10901 North Torrey Pines Road, La Jolla, CA 92307 (United States); Joint Center for Structural Genomics, (United States); University of California, San Diego, La Jolla, California (United States)

    2014-03-01T23:59:59.000Z

    Using an extended set of protein features calculated separately for protein surface and interior, a new version of XtalPred based on a random forest classifier achieves a significant improvement in predicting the success of structure determination from the primary amino-acid sequence. Obtaining diffraction quality crystals remains one of the major bottlenecks in structural biology. The ability to predict the chances of crystallization from the amino-acid sequence of the protein can, at least partly, address this problem by allowing a crystallographer to select homologs that are more likely to succeed and/or to modify the sequence of the target to avoid features that are detrimental to successful crystallization. In 2007, the now widely used XtalPred algorithm [Slabinski et al. (2007 ?), Protein Sci.16, 2472–2482] was developed. XtalPred classifies proteins into five ‘crystallization classes’ based on a simple statistical analysis of the physicochemical features of a protein. Here, towards the same goal, advanced machine-learning methods are applied and, in addition, the predictive potential of additional protein features such as predicted surface ruggedness, hydrophobicity, side-chain entropy of surface residues and amino-acid composition of the predicted protein surface are tested. The new XtalPred-RF (random forest) achieves significant improvement of the prediction of crystallization success over the original XtalPred. To illustrate this, XtalPred-RF was tested by revisiting target selection from 271 Pfam families targeted by the Joint Center for Structural Genomics (JCSG) in PSI-2, and it was estimated that the number of targets entered into the protein-production and crystallization pipeline could have been reduced by 30% without lowering the number of families for which the first structures were solved. The prediction improvement depends on the subset of targets used as a testing set and reaches 100% (i.e. twofold) for the top class of predicted targets.

  3. IMPROVED V II log(gf) VALUES, HYPERFINE STRUCTURE CONSTANTS, AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect (OSTI)

    Wood, M. P.; Lawler, J. E.; Den Hartog, E. A. [Department of Physics, University of Wisconsin, Madison, WI 53706 (United States); Sneden, C. [Department of Astronomy and McDonald Observatory, University of Texas, Austin, TX 78712 (United States); Cowan, J. J., E-mail: mpwood@wisc.edu, E-mail: jelawler@wisc.edu, E-mail: eadenhar@wisc.edu, E-mail: chris@verdi.as.utexas.edu, E-mail: cowan@nhn.ou.edu [Homer L. Dodge Department of Physics and Astronomy, University of Oklahoma, Norman, OK 73019 (United States)

    2014-10-01T23:59:59.000Z

    New experimental absolute atomic transition probabilities are reported for 203 lines of V II. Branching fractions are measured from spectra recorded using a Fourier transform spectrometer and an echelle spectrometer. The branching fractions are normalized with radiative lifetime measurements to determine the new transition probabilities. Generally good agreement is found between this work and previously reported V II transition probabilities. Two spectrometers, independent radiometric calibration methods, and independent data analysis routines enable a reduction in systematic uncertainties, in particular those due to optical depth errors. In addition, new hyperfine structure constants are measured for selected levels by least squares fitting line profiles in the FTS spectra. The new V II data are applied to high resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to determine new, more accurate V abundances. Lines covering a range of wavelength and excitation potential are used to search for non-LTE effects. Very good agreement is found between our new solar photospheric V abundance, log ?(V) = 3.95 from 15 V II lines, and the solar-system meteoritic value. In HD 84937, we derive [V/H] = –2.08 from 68 lines, leading to a value of [V/Fe] = 0.24.

  4. Structure determination of enterovirus 71

    SciTech Connect (OSTI)

    Plevka, Pavel; Perera, Rushika; Cardosa, Jane; Kuhn, Richard J.; Rossmann, Michael G. (Purdue); (Sentinext)

    2013-02-20T23:59:59.000Z

    Enterovirus 71 is a picornavirus that causes hand, foot and mouth disease but may induce fatal neurological illness in infants and young children. Enterovirus 71 crystallized in a body-centered orthorhombic space group with two particles in general orientations in the crystallographic asymmetric unit. Determination of the particle orientations required that the locked rotation function excluded the twofold symmetry axes from the set of icosahedral symmetry operators. This avoided the occurrence of misleading high rotation-function values produced by the alignment of icosahedral and crystallographic twofold axes. Once the orientations and positions of the particles had been established, the structure was solved by molecular replacement and phase extension.

  5. Analytical Improvements in PV Degradation Rate Determination

    SciTech Connect (OSTI)

    Jordan, D. C.; Kurtz, S. R.

    2011-02-01T23:59:59.000Z

    As photovoltaic (PV) penetration of the power grid increases, it becomes vital to know how decreased power output may affect cost over time. In order to predict power delivery, the decline or degradation rates must be determined accurately. For non-spectrally corrected data several complete seasonal cycles (typically 3-5 years) are required to obtain reasonably accurate degradation rates. In a rapidly evolving industry such a time span is often unacceptable and the need exists to determine degradation rates accurately in a shorter period of time. Occurrence of outliers and data shifts are two examples of analytical problems leading to greater uncertainty and therefore to longer observation times. In this paper we compare three methodologies of data analysis for robustness in the presence of outliers, data shifts and shorter measurement time periods.

  6. Heat pipe with improved wick structures

    DOE Patents [OSTI]

    Benson, David A. (Albuquerque, NM); Robino, Charles V. (Albuquerque, NM); Palmer, David W. (Albuquerque, NM); Kravitz, Stanley H. (Placitas, NM)

    2000-01-01T23:59:59.000Z

    An improved planar heat pipe wick structure having projections formed by micromachining processes. The projections form arrays of interlocking, semi-closed structures with multiple flow paths on the substrate. The projections also include overhanging caps at their tops to increase the capillary pumping action of the wick structure. The capped projections can be formed in stacked layers. Another layer of smaller, more closely spaced projections without caps can also be formed on the substrate in between the capped projections. Inexpensive materials such as Kovar can be used as substrates, and the projections can be formed by electrodepositing nickel through photoresist masks.

  7. Improving NMR Protein Structure Quality by Rosetta Refinement...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    NMR Protein Structure Quality by Rosetta Refinement: A Molecular Replacement Study. Improving NMR Protein Structure Quality by Rosetta Refinement: A Molecular Replacement Study....

  8. Structural determinants of sigma receptor affinity

    SciTech Connect (OSTI)

    Largent, B.L.; Wikstroem, H.G.; Gundlach, A.L.; Snyder, S.H.

    1987-12-01T23:59:59.000Z

    The structural determinants of sigma receptor affinity have been evaluated by examining a wide range of compounds related to opioids, neuroleptics, and phenylpiperidine dopaminergic structures for affinity at sigma receptor-binding sites labeled with (+)-(/sup 3/H)3-PPP. Among opioid compounds, requirements for sigma receptor affinity differ strikingly from the determinants of affinity for conventional opiate receptors. Sigma sites display reverse stereoselectivity to classical opiate receptors. Multi-ringed opiate-related compounds such as morphine and naloxone have negligible affinity for sigma sites, with the highest sigma receptor affinity apparent for benzomorphans which lack the C ring of opioids. Highest affinity among opioids and other compounds occurs with more lipophilic N-substituents. This feature is particularly striking among the 3-PPP derivatives as well as the opioids. The butyrophenone haloperidol is the most potent drug at sigma receptors we have detected. Among the series of butyrophenones, receptor affinity is primarily associated with the 4-phenylpiperidine moiety. Conformational calculations for various compounds indicate a fairly wide range of tolerance for distances between the aromatic ring and the amine nitrogen, which may account for the potency at sigma receptors of structures of considerable diversity. Among the wide range of structures that bind to sigma receptor-binding sites, the common pharmacophore associated with high receptor affinity is a phenylpiperidine with a lipophilic N-substituent.

  9. Photoelectron holography applied to surface structural determination

    SciTech Connect (OSTI)

    Petersen, B.L.

    1995-05-01T23:59:59.000Z

    Photoemitted electron waves are used as coherent source waves for angstrom-scale holographic imaging of local atomic geometry at surfaces. Electron angular distribution patterns are collected above a sample surface and serve as a record of the interference between source wave and waves scattered from surrounding ion cores. Using a mathematical imaging integral transformation, the three-dimensional structural information is obtained directly from these collected patterns. Patterns measured with different electron kinetic energies are phase-summed for image improvement. Pt (111) surface is used as a model system. A pattern 9.6{angstrom}{sup {minus}1} (351 eV) is used to generate a full 3-D image of atom locations around an emitter with nearest neighbors within 0.l{angstrom} of the expected bulk positions. Atoms several layers beyond the nearest neighbors are also apparent. Twin-image reduction and artifact suppression is obtained by phase-summing eight patterns measured from 8.8 to 10.2{angstrom}{sup {minus}1} (295 to 396 eV). 32 were measured in 0.2{angstrom}{sup {minus}1} steps from 6.0 to 12.2{angstrom}{sup {minus}1} (137 to 567 eV) are presented here. Simple models of two-slit interference are compared with electron scattering to illuminate understanding of holographic recording of the structural information. This also shows why it sometimes fails due to destructive interferences. Simple theoretical models of electron scattering are compared to experiment to show the origin of the structural information and the differences that result from atomic scattering and from the source wave. Experimental parameters and their relation to imaging is discussed. Comparison is made to the Pt pattern measured at 351 eV using the simple theoretical model. The remaining data set is also modeled, and the eight appropriate theoretical patterns are used to regenerate the multiple-wavenumber experimental result. A clean Cu (001) surface is also measured and imaged.

  10. Power converter having improved terminal structure

    DOE Patents [OSTI]

    Radosevich, Lawrence D.; Kannenberg, Daniel G.; Phillips, Mark G.; Kaishian, Steven C.

    2007-03-06T23:59:59.000Z

    A terminal structure for power electronics circuits reduces the need for a DC bus and thereby the incidence of parasitic inductance. The structure is secured to a support that may receive one or more power electronic circuits. The support may aid in removing heat from the circuits through fluid circulating through the support. The support may form a shield from both external EMI/RFI and from interference generated by operation of the power electronic circuits. Features may be provided to permit and enhance connection of the circuitry to external circuitry, such as by direct contact between the terminal assembly and AC and DC circuit components. Modular units may be assembled that may be coupled to electronic circuitry via plug-in arrangements or through interface with a backplane or similar mounting and interconnecting structures.

  11. Determination of Structural Carbohydrates and Lignin in Biomass...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Determination of Structural Carbohydrates and Lignin in Biomass Laboratory Analytical Procedure (LAP) Issue Date: April 2008 Revision Date: August 2012 (Version 08-03-2012) A....

  12. Determining benefits and costs of improved central air conditioner efficiencies

    E-Print Network [OSTI]

    Rosenquist, G.

    2010-01-01T23:59:59.000Z

    Products: Central Air Conditioners and Heat Pumps Energyof Improved Central Air Conditioner Efficiencies Authorsresidential-type central air conditioner energy-efficiency

  13. Electron Diffraction Determination of Nanoscale Structures

    SciTech Connect (OSTI)

    Parks, Joel H

    2013-03-01T23:59:59.000Z

    Dominant research results on adsorption on gold clusters are reviewed, including adsorption of H{sub 2}O and O{sub 2} on gold cluster cations and anions, kinetics of CO adsorption to middle sized gold cluster cations, adsorption of CO on Au{sub n}{sup +} with induced changes in structure, and H{sub 2}O enhancement of CO adsorption.

  14. Structural Determination of Marine Bacteriogenic Manganese Oxides

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over Our Instagram Secretary900SteepStrengthening northernDetermination of Marine

  15. Automating the determination of 3D protein structure

    SciTech Connect (OSTI)

    Rayl, K.D.

    1993-12-31T23:59:59.000Z

    The creation of an automated method for determining 3D protein structure would be invaluable to the field of biology and presents an interesting challenge to computer science. Unfortunately, given the current level of protein knowledge, a completely automated solution method is not yet feasible, therefore, our group has decided to integrate existing databases and theories to create a software system that assists X-ray crystallographers in specifying a particular protein structure. By breaking the problem of determining overall protein structure into small subproblems, we hope to come closer to solving a novel structure by solving each component. By generating necessary information for structure determination, this method provides the first step toward designing a program to determine protein conformation automatically.

  16. New rest wavelength determinations for 7 mid-infrared fine structure lines by ISO-SWS

    E-Print Network [OSTI]

    H. Feuchtgruber; D. Lutz; D. A. Beintema

    2001-05-15T23:59:59.000Z

    Observations of the planetary nebulae NGC6302, NGC6543 and NGC7027 by the Short Wavelength Spectrometer (SWS) on board the Infrared Space Observatory (ISO) have been used to determine rest wavelengths of spectral lines. We report on improved accuracies for wavelengths of 7 mid-infrared ionic fine structure lines.

  17. ProSteam- A Structured Approach to Steam System Improvement

    E-Print Network [OSTI]

    Eastwood, A.

    and of any operational constraints. It can also be used to determine the true cost of improvement projects, relating any changes in steam demand back to purchased utilities (fuel, power, and make-up water) at the site boundary. Example projects could include...

  18. Team Structure and Quality Improvement in Collaborative Environments

    E-Print Network [OSTI]

    Eppstein, Margaret J.

    Team Structure and Quality Improvement in Collaborative Environments Narine Manukyan Department@vtoxford.org Abstract-- Teams comprising diverse individuals have been shown to increase the collective creativity in complex environments, it is not clear whether team diversity will help or hinder effective learning

  19. Using Write Protected Data Structures To Improve Software Fault Tolerance

    E-Print Network [OSTI]

    California at Irvine, University of

    This paper describes a database management system (DBMS) modified to use hardware write protection to guard critical DBMS data structures against software errors. Guarding (write-protecting) DBMS data improves. Guarding will be especially helpful in an extensible DBMS since it limits the power of extension code

  20. Protein structure determination using a database of interatomic distance probabilities

    E-Print Network [OSTI]

    Phillips, George N. Jr.

    determination and molecular modeling. An energy function, or database potential, is derived from distributionsProtein structure determination using a database of interatomic distance probabilities MICHAEL E for Advanced Science and Technology and National Center for Supercomputing Applications, University of Illinois

  1. LEED structure determination of the 3R30-Sn surface

    E-Print Network [OSTI]

    Soares, Edmar Avellar

    diffraction (LEED); Surface structure, morphology, roughness, and topography; Surface relaxationLEED structure determination of the Ni(111)ð p 3 Â p 3ÞR30°-Sn surface E.A. Soares a , C surface phase. The results confirm that the surface layer comprises a substitutional alloy of composition

  2. Helium fine structure theory for determination of Krzysztof Pachucki

    E-Print Network [OSTI]

    Pachucki, Krzysztof

    Helium fine structure theory for determination of Krzysztof Pachucki Institute of Theoretical in the calculation of helium fine-structure splitting of the 23 PJ states, based on the quantum electrodynamic theory by comparison with all experimental results for light helium-like ions and with the known large nuclear charge

  3. Structural determination of intact proteins using mass spectrometry

    DOE Patents [OSTI]

    Kruppa, Gary (San Francisco, CA); Schoeniger, Joseph S. (Oakland, CA); Young, Malin M. (Livermore, CA)

    2008-05-06T23:59:59.000Z

    The present invention relates to novel methods of determining the sequence and structure of proteins. Specifically, the present invention allows for the analysis of intact proteins within a mass spectrometer. Therefore, preparatory separations need not be performed prior to introducing a protein sample into the mass spectrometer. Also disclosed herein are new instrumental developments for enhancing the signal from the desired modified proteins, methods for producing controlled protein fragments in the mass spectrometer, eliminating complex microseparations, and protein preparatory chemical steps necessary for cross-linking based protein structure determination.Additionally, the preferred method of the present invention involves the determination of protein structures utilizing a top-down analysis of protein structures to search for covalent modifications. In the preferred method, intact proteins are ionized and fragmented within the mass spectrometer.

  4. An improved correlation method for determining the period of a torsion pendulum

    SciTech Connect (OSTI)

    Luo Jie; Wang Dianhong [Faculty of Mechanical and Electronic Information, China University of Geosciences, Wuhan 430074 (China)

    2008-09-15T23:59:59.000Z

    Considering variation of environment temperature and unhomogeneity of background gravitational field, an improved correlation method was proposed to determine the variational period of a torsion pendulum with high precision. The result of processing experimental data shows that the uncertainty of determining the period with this method has been improved about twofolds than traditional correlation method, which is significant for the determination of gravitational constant with time-of-swing method.

  5. Determining the People Capacity of a Structure May 7, 1999

    E-Print Network [OSTI]

    Mitchener, W. Garrett

    sustaining injury? Another important issue is that of comfort: how many people can be #12;t in a room, during, in an overcrowded room, might leave many people injured in the rush to exit whether or not the threat is realTeam 243 Determining the People Capacity of a Structure Team 243 May 7, 1999 1 Introduction

  6. DETERMINATION, CONTROL AND IMPROVEMENT OF AN SKA RADIO ENVIRONMENT IN SOUTH AFRICA

    E-Print Network [OSTI]

    Ellingson, Steven W.

    DETERMINATION, CONTROL AND IMPROVEMENT OF AN SKA RADIO ENVIRONMENT IN SOUTH AFRICA By Neël Smuts1 ABSTRACT South Africa, in its bid to host the SKA2 , has adopted a dual approach to determine, assess Recommendations and Resolutions and South African legal provisions. An overview of this process is provided. Even

  7. SHELXT – Integrated space-group and crystal-structure determination

    SciTech Connect (OSTI)

    Sheldrick, George M., E-mail: gsheldr@shelx.uni-ac.gwdg.de [Georg-August Universität Göttingen, Tammannstrasse 4, Göttingen, 37077 (Germany)

    2015-01-01T23:59:59.000Z

    SHELXT automates routine small-molecule structure determination starting from single-crystal reflection data, the Laue group and a reasonable guess as to which elements might be present. The new computer program SHELXT employs a novel dual-space algorithm to solve the phase problem for single-crystal reflection data expanded to the space group P1. Missing data are taken into account and the resolution extended if necessary. All space groups in the specified Laue group are tested to find which are consistent with the P1 phases. After applying the resulting origin shifts and space-group symmetry, the solutions are subject to further dual-space recycling followed by a peak search and summation of the electron density around each peak. Elements are assigned to give the best fit to the integrated peak densities and if necessary additional elements are considered. An isotropic refinement is followed for non-centrosymmetric space groups by the calculation of a Flack parameter and, if appropriate, inversion of the structure. The structure is assembled to maximize its connectivity and centred optimally in the unit cell. SHELXT has already solved many thousand structures with a high success rate, and is optimized for multiprocessor computers. It is, however, unsuitable for severely disordered and twinned structures because it is based on the assumption that the structure consists of atoms.

  8. Method and apparatus for determining material structural integrity

    DOE Patents [OSTI]

    Pechersky, M.J.

    1994-01-01T23:59:59.000Z

    Disclosed are a nondestructive method and apparatus for determining the structural integrity of materials by combining laser vibrometry with damping analysis to determine the damping loss factor. The method comprises the steps of vibrating the area being tested over a known frequency range and measuring vibrational force and velocity vs time over the known frequency range. Vibrational velocity is preferably measured by a laser vibrometer. Measurement of the vibrational force depends on the vibration method: if an electromagnetic coil is used to vibrate a magnet secured to the area being tested, then the vibrational force is determined by the coil current. If a reciprocating transducer is used, the vibrational force is determined by a force gauge in the transducer. Using vibrational analysis, a plot of the drive point mobility of the material over the preselected frequency range is generated from the vibrational force and velocity data. Damping loss factor is derived from a plot of the drive point mobility over the preselected frequency range using the resonance dwell method and compared with a reference damping loss factor for structural integrity evaluation.

  9. Apparatus for improving performance of electrical insulating structures

    DOE Patents [OSTI]

    Wilson, Michael J. (Modesto, CA); Goerz, David A. (Brentwood, CA)

    2002-01-01T23:59:59.000Z

    Removing the electrical field from the internal volume of high-voltage structures; e.g., bushings, connectors, capacitors, and cables. The electrical field is removed from inherently weak regions of the interconnect, such as between the center conductor and the solid dielectric, and places it in the primary insulation. This is accomplished by providing a conductive surface on the inside surface of the principal solid dielectric insulator surrounding the center conductor and connects the center conductor to this conductive surface. The advantage of removing the electric fields from the weaker dielectric region to a stronger area improves reliability, increases component life and operating levels, reduces noise and losses, and allows for a smaller compact design. This electric field control approach is currently possible on many existing products at a modest cost. Several techniques are available to provide the level of electric field control needed. Choosing the optimum technique depends on material, size, and surface accessibility. The simplest deposition method uses a standard electroless plating technique, but other metalization techniques include vapor and energetic deposition, plasma spraying, conductive painting, and other controlled coating methods.

  10. Method for improving performance of highly stressed electrical insulating structures

    DOE Patents [OSTI]

    Wilson, Michael J. (Modesto, CA); Goerz, David A. (Brentwood, CA)

    2002-01-01T23:59:59.000Z

    Removing the electrical field from the internal volume of high-voltage structures; e.g., bushings, connectors, capacitors, and cables. The electrical field is removed from inherently weak regions of the interconnect, such as between the center conductor and the solid dielectric, and places it in the primary insulation. This is accomplished by providing a conductive surface on the inside surface of the principal solid dielectric insulator surrounding the center conductor and connects the center conductor to this conductive surface. The advantage of removing the electric fields from the weaker dielectric region to a stronger area improves reliability, increases component life and operating levels, reduces noise and losses, and allows for a smaller compact design. This electric field control approach is currently possible on many existing products at a modest cost. Several techniques are available to provide the level of electric field control needed. Choosing the optimum technique depends on material, size, and surface accessibility. The simplest deposition method uses a standard electroless plating technique, but other metalization techniques include vapor and energetic deposition, plasma spraying, conductive painting, and other controlled coating methods.

  11. Apparatus for improving performance of electrical insulating structures

    DOE Patents [OSTI]

    Wilson, Michael J.; Goerz, David A.

    2004-08-31T23:59:59.000Z

    Removing the electrical field from the internal volume of high-voltage structures; e.g., bushings, connectors, capacitors, and cables. The electrical field is removed from inherently weak regions of the interconnect, such as between the center conductor and the solid dielectric, and places it in the primary insulation. This is accomplished by providing a conductive surface on the inside surface of the principal solid dielectric insulator surrounding the center conductor and connects the center conductor to this conductive surface. The advantage of removing the electric fields from the weaker dielectric region to a stronger area improves reliability, increases component life and operating levels, reduces noise and losses, and allows for a smaller compact design. This electric field control approach is currently possible on many existing products at a modest cost. Several techniques are available to provide the level of electric field control needed. Choosing the optimum technique depends on material, size, and surface accessibility. The simplest deposition method uses a standard electroless plating technique, but other metalization techniques include vapor and energetic deposition, plasma spraying, conductive painting, and other controlled coating methods.

  12. Generalized Probability Theories: What determines the structure of quantum theory?

    E-Print Network [OSTI]

    Peter Janotta; Haye Hinrichsen

    2014-08-13T23:59:59.000Z

    The framework of generalized probabilistic theories is a powerful tool for studying the foundations of quantum physics. It provides the basis for a variety of recent findings that significantly improve our understanding of the rich physical structure of quantum theory. This review paper tries to present the framework and recent results to a broader readership in an accessible manner. To achieve this, we follow a constructive approach. Starting from few basic physically motivated assumptions we show how a given set of observations can be manifested in an operational theory. Furthermore, we characterize consistency conditions limiting the range of possible extensions. In this framework classical and quantum theory appear as special cases, and the aim is to understand what distinguishes quantum mechanics as the fundamental theory realized in nature. It turns out non-classical features of single systems can equivalently result from higher dimensional classical theories that have been restricted. Entanglement and non-locality, however, are shown to be genuine non-classical features.

  13. Feature Selection Methods for Improving Protein Structure Prediction with Rosetta

    E-Print Network [OSTI]

    Jordan, Michael I.

    Carlo energy minimization method requiring many random restarts to find structures with low energy. In this paper we present a resampling technique for structure prediction of small alpha/beta proteins using Rosetta. From an ini- tial round of Rosetta sampling, we learn properties of the energy landscape

  14. Method for improve x-ray diffraction determinations of residual stress in nickel-base alloys

    DOE Patents [OSTI]

    Berman, Robert M. (Pittsburgh, PA); Cohen, Isadore (Pittsburgh, PA)

    1990-01-01T23:59:59.000Z

    A process for improving the technique of measuring residual stress by x-ray diffraction in pieces of nickel-base alloys which comprises covering part of a predetermined area of the surface of a nickel-base alloy with a dispersion, exposing the covered and uncovered portions of the surface of the alloy to x-rays by way of an x-ray diffractometry apparatus, making x-ray diffraction determinations of the exposed surface, and measuring the residual stress in the alloy based on these determinations. The dispersion is opaque to x-rays and serves a dual purpose since it masks off unsatisfactory signals such that only a small portion of the surface is measured, and it supplies an internal standard by providing diffractogram peaks comparable to the peaks of the nickel alloy so that the alloy peaks can be very accurately located regardless of any sources of error external to the sample.

  15. Life extension of structural components via an improved nondestructive testing methodology

    E-Print Network [OSTI]

    Hohmann, Brian P. (Brian Patrick)

    2010-01-01T23:59:59.000Z

    An experimental study was performed to determine the flaw detection sensitivity of advanced nondestructive testing (NDT) techniques with respect to structural applications. The techniques analyzed exemplify the incorporation ...

  16. Corrosion-resistant multilayer structures with improved reflectivity

    DOE Patents [OSTI]

    Soufli, Regina; Fernandez-Perea, Monica; Robinson, Jeff C.

    2013-04-09T23:59:59.000Z

    In one general embodiment, a thin film structure includes a substrate; a first corrosion barrier layer above the substrate; a reflective layer above the first corrosion barrier layer, wherein the reflective layer comprises at least one repeating set of sub-layers, wherein one of the sub-layers of each set of sub-layers being of a corrodible material; and a second corrosion barrier layer above the reflective layer. In another general embodiment, a system includes an optical element having a thin film structure as recited above; and an image capture or spectrometer device. In a further general embodiment, a laser according to one embodiment includes a light source and the thin film structure as recited above.

  17. Improving Twitter Retrieval by Exploiting Structural Information Zhunchen Luo

    E-Print Network [OSTI]

    Osborne, Miles

    as a structural document constructed from blocks. Figure 1 shows some tweets by Yao Ming, BBC News and Lady Gaga1 Gaga is an American pop singer. end their tweets with a link to the story, and Lady Gaga uses a mixture basketball player in NBA. BBC News is a web news gathering and broadcasting of news and current affairs. Lady

  18. Improved substrate structures for InP-based devices

    SciTech Connect (OSTI)

    Wanlass, M.; Sheldon, P.

    1988-09-30T23:59:59.000Z

    A substrate structure for an InP-based semiconductor device having an InP-based film is disclosed. The substrate structure includes a substrate region having a light-weight bulk substrate and an upper GaAs layer. An interconnecting region is disposed between the substrate region and the InP-based device. The interconnecting region includes a compositionally graded intermediate layer substantially lattice matched at its one end to the GaAs layer and substantially lattice matched at its opposite end to the InP-based film. The interconnecting region further includes a dislocation mechanism disposed between the GaAs layer and the InP-based film in cooperation with the graded intermediate layer, the buffer mechanism blocking and inhibiting propagation of threading dislocations between the substrate region and the InP-based device. 1 fig.

  19. Anthraquinone Photonuclease Structure Determines Its Mode of Binding to DNA and the Cleavage

    E-Print Network [OSTI]

    Williams, Loren

    Anthraquinone Photonuclease Structure Determines Its Mode of Binding to DNA and the Cleavage recently described a set of anthraquinone derivatives that act as photonucleases.6 Three classes

  20. Determinants of Role Structure in Family Financial Management

    E-Print Network [OSTI]

    Rosen, Dennis L.; Granbois, Donald H.

    1983-01-01T23:59:59.000Z

    Variables determining the role of husband and wife in family financial management are explored based on in-home, personal interviews. Financial tasks reflecting implementation activities and two groupings of decision ...

  1. Determining Factors Influencing Nuclear Envelope and Nuclear Pore Complex Structure.

    E-Print Network [OSTI]

    Gouni, Sushanth

    2013-02-04T23:59:59.000Z

    The cell’s nuclear envelope (NE) has pores that are stabilized by nuclear pore complexes (NPC), large proteinaceous structures whose function is to mediate transport between the nucleus and cytoplasm. Although the transport process is well studied...

  2. Molecular structure determination on a computational and data grid

    E-Print Network [OSTI]

    Miller, Russ

    Õs ability to present the user with a large computational infrastructure that will allow for the processing in a routine fashion to solve difficult atomic resolution structures, containing as many as 1000 unique non-hydrogen

  3. An improved thin film approximation to accurately determine the optical conductivity of graphene from infrared transmittance

    SciTech Connect (OSTI)

    Weber, J. W.; Bol, A. A. [Department of Applied Physics, Eindhoven University of Technology, Den Dolech 2, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Sanden, M. C. M. van de [Department of Applied Physics, Eindhoven University of Technology, Den Dolech 2, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Dutch Institute for Fundamental Energy Research (DIFFER), Nieuwegein (Netherlands)

    2014-07-07T23:59:59.000Z

    This work presents an improved thin film approximation to extract the optical conductivity from infrared transmittance in a simple yet accurate way. This approximation takes into account the incoherent reflections from the backside of the substrate. These reflections are shown to have a significant effect on the extracted optical conductivity and hence on derived parameters as carrier mobility and density. By excluding the backside reflections, the error for these parameters for typical chemical vapor deposited (CVD) graphene on a silicon substrate can be as high as 17% and 45% for the carrier mobility and density, respectively. For the mid- and near-infrared, the approximation can be simplified such that the real part of the optical conductivity is extracted without the need for a parameterization of the optical conductivity. This direct extraction is shown for Fourier transform infrared (FTIR) transmittance measurements of CVD graphene on silicon in the photon energy range of 370–7000?cm{sup ?1}. From the real part of the optical conductivity, the carrier density, mobility, and number of graphene layers are determined but also residue, originating from the graphene transfer, is detected. FTIR transmittance analyzed with the improved thin film approximation is shown to be a non-invasive, easy, and accurate measurement and analysis method for assessing the quality of graphene and can be used for other 2-D materials.

  4. Supporting Information Structure Determination Using the Method of Continuous Variations

    E-Print Network [OSTI]

    Collum, David B.

    Structure(s) Page TMEDA dimer S8 dimer S9 Et2O tetramer 5 equiv-S10 neat-S11 trimer S12 MeCN tetramer S13 tetramer S14 pyridine tetramer S15 tetramer S16 OLi F 1 2 OLi OLi CH3H3C OLi CH3H3C Cl3 4 OLi F 1 2 OLi OLi pyridine dimer S17 DMA tetramer S18 tetramer S19 DMF tetramer S20 DMSO tetramer 6 Li-S21 19 F-S22 trimer

  5. Liquid Holdup Profiles in Structured Packing Determined via Neutron Radiography

    E-Print Network [OSTI]

    Eldridge, R. Bruce

    scans of an operating air-water contactor were performed at the NIST Center for Neutron Research (NCNR packings are widely employed in vapor-liquid contacting devices for distillation, absorption, and stripping. The high specific surface areas (ap), regular geometries, and high void fraction () of structured packing

  6. Improved estimates of forest vegetation structure and biomass with a LiDAR-optimized sampling design

    E-Print Network [OSTI]

    Radeloff, Volker C.

    and Spies, 1992; Jakubauskas and Price, 1997], and forest biomass [Fassnacht et al., 1997; Gower et alImproved estimates of forest vegetation structure and biomass with a LiDAR-optimized sampling, to estimate forest structure and biomass across a 53,600 ha study area in northeastern Wisconsin. Additionally

  7. Recent improvements in prediction of protein structure by global optimization of a

    E-Print Network [OSTI]

    Lee, Jooyoung

    Recent improvements in prediction of protein structure by global optimization of a potential energy, three fragments (of length 10, 23, and 28 residues, respectively) formed a compact part of the tertiary the native structure of a protein corre- sponds to the global minimum of its free energy under given

  8. Investigation of the most appropriate capital structure theory and leverage level determinants 

    E-Print Network [OSTI]

    Lew, Sung Hee

    2012-10-03T23:59:59.000Z

    This thesis examines capital structure theories and debt level determinants to develop a better understanding, and to establish the most appropriate theory to explain the behaviour of firms? debt and equity choices. It ...

  9. Pairwise covariance adds little to secondary structure prediction but improves the prediction of non-canonical local structure

    SciTech Connect (OSTI)

    Bystroff, Christopher; Webb-Robertson, Bobbie-Jo M.

    2009-05-06T23:59:59.000Z

    Amino acid sequence probability distributions, or profiles, have been used successfully to predict secondary structure and local structure in proteins. Profile models assume the statistical independence of each position in the sequence, but the energetics of protein folding is better captured in a scoring function that is based on pairwise interactions, like a force field. I-sites motifs are short sequence/structure motifs that populate the protein structure database due to energy-driven convergent evolution. Here we show that a pairwise covariant sequence model does not predict alpha helix or beta strand significantly better overall than a profile-based model, but it does improve the prediction of certain loop motifs. The finding is best explained by considering secondary structure profiles as multivariant, all-or-none models, which subsume covariant models. Pairwise covariance is nonetheless present and energetically rational. Examples of negative design are present, where the covariances disfavor non-native structures. Measured pairwise covariances are shown to be statistically robust in cross-validation tests, as long as the amino acid alphabet is reduced to nine classes. We present an updated I-sites local structure motif library and web server that provide sequence covariance information for all types of local structure in globular proteins.

  10. EXPLOITING GROUP STRUCTURE TO IMPROVE RETRIEVAL ACCURACY AND SPEED IN IMAGE DATABASES

    E-Print Network [OSTI]

    Vasconcelos, Nuno M.

    perform a linear search over the database to find the closest match to a query. However, databases usually precision and speed. We investigate methods that enable search at both the class and image levelEXPLOITING GROUP STRUCTURE TO IMPROVE RETRIEVAL ACCURACY AND SPEED IN IMAGE DATABASES Nuno

  11. proteinsSTRUCTURE O FUNCTION O BIOINFORMATICS Improving taxonomy-based protein fold

    E-Print Network [OSTI]

    Chen, Xin

    proteinsSTRUCTURE O FUNCTION O BIOINFORMATICS Improving taxonomy-based protein fold recognition methods can be broadly classified into two categories, that is, template-based1­6 and taxonomy- based.7­13 In recent years, the taxonomy-based method has attracted great attention due to its encouraging performance

  12. Increased performance of single-chamber microbial fuel cells using an improved cathode structure

    E-Print Network [OSTI]

    Increased performance of single-chamber microbial fuel cells using an improved cathode structure Maximum power densities by air-driven microbial fuel cells (MFCs) are considerably influenced by cathode reserved. Keywords: Microbial fuel cell; Air cathode; Diffusion layer; PTFE coating; Coulombic efficiency 1

  13. Hierarchical Structural Approach to Improving the Browsability of Web Search Engine Results

    E-Print Network [OSTI]

    Zaiane, Osmar R.

    Hierarchical Structural Approach to Improving the Browsability of Web Search Engine Results Hang,zaiane}@cs.ualberta.ca Abstract Web users have been mainly relying on Web search engines to find information of interest on the Web. However, two key issues remain with traditional Web search engines: the browsability of searching

  14. Improving Premise Structure in Evolving Takagi-Sugeno Neuro-Fuzzy Classifiers

    E-Print Network [OSTI]

    Boyer, Edmond

    . The presented approach is based on a first-order Takagi- Sugeno neuro-fuzzy model. We propose a modification for almost any pattern recognition task. The main problem in classification is to induce a classifier fromImproving Premise Structure in Evolving Takagi-Sugeno Neuro-Fuzzy Classifiers Abdullah Almaksour

  15. Hierarchically Structured ZnO Nanorods-Nanosheets for Improved Quantum-Dot-Sensitized Solar Cells

    E-Print Network [OSTI]

    Cao, Guozhong

    . INTRODUCTION The establishment of low-cost and high-performance solar cells for sustainable energy sources). This hierarchical structure had two advantages in improving the power conversion efficiency (PCE) of the solar cells broadens the optical absorption of the solar cells. So far, CdS/CdSe-cosensitized QDSCs have reached power

  16. ON THE USE OF EXTENDED X-RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY TO DETERMINE THE BONDING CONFIGURATIONS OF

    E-Print Network [OSTI]

    Sparks, Donald L.

    ON THE USE OF EXTENDED X-RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY TO DETERMINE THE BONDING Rights Reserved #12;ON THE USE OF EXTENDED X-RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY TO DETERMINE

  17. Improved Structure and Fabrication of Large, High-Power KHPS Rotors - Final Scientific/Technical Report

    SciTech Connect (OSTI)

    Corren, Dean [Verdant Power, Inc.; Colby, Jonathan [Verdant Power, Inc.; Adonizio, Mary Ann [Verdant Power, Inc.

    2013-01-29T23:59:59.000Z

    Verdant Power, Inc, working in partnership with the National Renewable Energy Laboratory (NREL), Sandia National Laboratories (SNL), and the University of Minnesota St. Anthony Falls Laboratory (SAFL), among other partners, used evolving Computational Fluid Dynamics (CFD) and Finite Element Analysis (FEA) models and techniques to improve the structure and fabrication of large, high-power composite Kinetic Hydropower System (KHPS) rotor blades. The objectives of the project were to: design; analyze; develop for manufacture and fabricate; and thoroughly test, in the lab and at full scale in the water, the improved KHPS rotor blade.

  18. Determination of transient atomic structure of laser-excited materials from time-resolved diffraction data

    SciTech Connect (OSTI)

    Giret, Yvelin [The Institute of Scientific and Industrial Research (ISIR), Osaka University, Mihogaoka 8-1, Ibaraki, Osaka 567-0047 (Japan) [The Institute of Scientific and Industrial Research (ISIR), Osaka University, Mihogaoka 8-1, Ibaraki, Osaka 567-0047 (Japan); Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London (United Kingdom); Naruse, Nobuyasu; Murooka, Yoshie; Yang, Jinfeng; Tanimura, Katsumi [The Institute of Scientific and Industrial Research (ISIR), Osaka University, Mihogaoka 8-1, Ibaraki, Osaka 567-0047 (Japan)] [The Institute of Scientific and Industrial Research (ISIR), Osaka University, Mihogaoka 8-1, Ibaraki, Osaka 567-0047 (Japan); Daraszewicz, Szymon L.; Duffy, Dorothy M.; Shluger, Alexander L. [Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London (United Kingdom)] [Department of Physics and Astronomy, University College London, Gower Street, WC1E 6BT London (United Kingdom)

    2013-12-16T23:59:59.000Z

    The time evolution of the Bragg peaks of photo-excited gold nanofilms is measured using transmission ultrafast electron diffraction (UED) with 3.0 MeV electron pulses and the corresponding structure evolution is calculated using two-temperature molecular dynamics (2T-MD). The good agreement obtained between the measured and calculated Bragg peaks, over the full experimental timescale, enables the lattice temperature effects and the structural changes to be disentangled for the first time. The agreement demonstrates that 2T-MD is a reliable method for solving the inverse problem of structure determination of laser irradiated metals in UED measurements.

  19. An improved method for the determination of the wellstream gas specific gravity for retrograde gases

    E-Print Network [OSTI]

    Gold, David Keith

    1988-01-01T23:59:59.000Z

    calculations. The wellstream gas specific gravity for a retrograde gas reservoir can be determined using two methods. The first method requires fluid samples of the primary separator liquid and gas to be obtained from the well, their respective compositions... the most accurate estimate of the wellstream gas specific gravity, but using the field production information can provide a very reliable estimate as well. The equation for calculating the wellstream gas specific gravity using production information...

  20. Lithium Enolates of Simple Ketones: Structure Determination Using the Method of Continuous Variation

    E-Print Network [OSTI]

    Collum, David B.

    Lithium Enolates of Simple Ketones: Structure Determination Using the Method of Continuous of continuous variation in conjunction with 6Li NMR spectroscopy was used to characterize lithium enolates,N,N,N-tetramethylethylenediamine and cubic tetramers in tetrahydrofuran and 1,2-dimethoxyethane. Introduction Lithium enolates are used

  1. Lithium Phenolates Solvated by Tetrahydrofuran and 1,2-Dimethoxyethane: Structure Determination Using the

    E-Print Network [OSTI]

    Collum, David B.

    Lithium Phenolates Solvated by Tetrahydrofuran and 1,2-Dimethoxyethane: Structure Determination: The method of continuous variation in conjunction with 6 Li NMR spectroscopy was used to characterize lithium substrate- and solvent-dependent combinations of lithium phenolate monomers, dimers, trimers, tetramers

  2. Lipid Bilayer Structure Determined by the Simultaneous Analysis of Neutron and X-Ray Scattering Data

    E-Print Network [OSTI]

    Nagle, John F.

    Lipid Bilayer Structure Determined by the Simultaneous Analysis of Neutron and X-Ray Scattering) and dipalmitoylphosphatidylcholine (DPPC) bilayers by simultaneously analyzing x-ray and neutron scattering data. The neutron data electron and neutron scattering density profiles. A key result of the analysis is the molecular surface

  3. Charge states rather than propensity for -structure determine enhanced fibrillogenesis in wild-type

    E-Print Network [OSTI]

    Straub, John E.

    Charge states rather than propensity for -structure determine enhanced fibrillogenesis in wild -peptide relative to that of the wild-type peptide has been observed. The increased activity has been; Watson et al. 1999; Esler et al. 2000a). Two particular natu- rally occurring mutant forms of the wild

  4. Equilibration of experimentally determined protein structures for molecular dynamics simulation Emily B. Walton and Krystyn J. VanVliet*

    E-Print Network [OSTI]

    Van Vliet, Krystyn J.

    Equilibration of experimentally determined protein structures for molecular dynamics simulation well studied, ranging from refinements of static x-ray crystallog- raphy structures to dynamic Preceding molecular dynamics simulations of biomolecular interactions, the molecule of interest is often

  5. Computational tools for experimental determination and theoretical prediction of protein structure

    SciTech Connect (OSTI)

    O`Donoghue, S.; Rost, B.

    1995-12-31T23:59:59.000Z

    This tutorial was one of eight tutorials selected to be presented at the Third International Conference on Intelligent Systems for Molecular Biology which was held in the United Kingdom from July 16 to 19, 1995. The authors intend to review the state of the art in the experimental determination of protein 3D structure (focus on nuclear magnetic resonance), and in the theoretical prediction of protein function and of protein structure in 1D, 2D and 3D from sequence. All the atomic resolution structures determined so far have been derived from either X-ray crystallography (the majority so far) or Nuclear Magnetic Resonance (NMR) Spectroscopy (becoming increasingly more important). The authors briefly describe the physical methods behind both of these techniques; the major computational methods involved will be covered in some detail. They highlight parallels and differences between the methods, and also the current limitations. Special emphasis will be given to techniques which have application to ab initio structure prediction. Large scale sequencing techniques increase the gap between the number of known proteins sequences and that of known protein structures. They describe the scope and principles of methods that contribute successfully to closing that gap. Emphasis will be given on the specification of adequate testing procedures to validate such methods.

  6. Constraining coronal heating: employing Bayesian analysis techniques to improve the determination of solar atmospheric plasma parameters

    E-Print Network [OSTI]

    Sotiris Adamakis; Anthony J. Morton-Jones; Robert W. Walsh

    2011-02-01T23:59:59.000Z

    One way of revealing the nature of the coronal heating mechanism is by comparing simple theoretical one dimensional hydrostatic loop models with observations at the temperature and/or density structure along these features. The most well-known method for dealing with comparisons like that is the $\\chi^2$ approach. In this paper we consider the restrictions imposed by this approach and present an alternative way for making model comparisons using Bayesian statistics. In order to quantify our beliefs we use Bayes factors and information criteria such as AIC and BIC. Three simulated datasets are analyzed in order to validate the procedure and assess the effects of varying error bar size. Another two datasets (Ugarte-Urra et al., 2005; Priest et al., 2000) are re-analyzed using the method described above. In one of these two datasets (Ugarte-Urra et al., 2005), due to the error estimates in the observed temperature values, it is not posible to distinguish between the different heating mechanisms. For this we suggest that both Classical and Bayesian statistics should be applied in order to make safe assumptions about the nature of the coronal heating mechanisms.

  7. Determination of the paradihlorobenzene and paradibromobenzene solid solutions nanoparticles structure via Raman spectra

    E-Print Network [OSTI]

    Korshunov, M A

    2012-01-01T23:59:59.000Z

    We measured the small frequencies Raman spectrum of the paradihlorobenzene and paradihlorobenzene solid solution nanoparticles with the size about 100 nanometers. Values of frequencies of lines decrease. The size of nanoparticles was determined by the electronic microscope. Calculations of nanoparticles structure were done using the method of molecular dynamics and histograms of nanoparticles spectra were calculated via the Dyne's method. The result is that the Raman spectrum is the sum of spectra from the central part of the nanoparticle and superficial structures with smaller concentration of paradihlorobenzene.

  8. Determination

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign: Potential Application to ARM MeasurementsDetermination of

  9. Experimental evidence of improved thermoelectric properties at 300K in Si/Ge superlattice structures

    SciTech Connect (OSTI)

    Venkatasubramanian, R.; Colpitts, T.; Watko, E.; Malta, D. [Research Triangle Inst., Research Triangle Park, NC (United States)

    1997-04-01T23:59:59.000Z

    The authors have found that it may be possible to obtain significant enhancement in ZT at 300 K, over conventional bulk SiGe alloys, through the use of Si/Ge Superlattice (SL) structures. The Seebeck coefficient in Si/Ge SL structures was observed to increase rapidly with decreasing SL period with no loss of electrical conductivity. The carrier mobilities in Si/Ge SLs were higher than in a comparable thin-film Si/Ge alloy. The best power factor of the short-period Si/Ge SLs is 112.2 {micro}W/K{sup 2} cm, over five-fold better than state-of-the-art n-type, bulk SiGe alloys. Approximately a two to four-fold reduction in thermal conductivity in short-period SL structures, compared to bulk SiGe alloy, was observed. The authors estimate at least a factor of five improvement over current state-of-the-art SiGe alloys, in several Si/Ge SL samples with periodicity of {approximately}45 to 75 {angstrom}. The results of this study are promising, but tentative due to the possible effects of substrate and the developmental nature of the thermoelectric property measurements.

  10. Can a more realistic model error structure improve the parameter estimation in modelling the dynamics of sh populations?

    E-Print Network [OSTI]

    Chen, Yong

    or applying an estimation method that is robust to the error structure assumption in modelling the dynamicsCan a more realistic model error structure improve the parameter estimation in modelling the dynamics of ®sh populations? Y. Chena,* , J.E. Paloheimob a Fisheries Conservation Chair Program, Fisheries

  11. Experimental level-structure determination in odd-odd actinide nuclei

    SciTech Connect (OSTI)

    Hoff, R.W.

    1985-04-04T23:59:59.000Z

    The status of experimental determination of level structure in odd-odd actinide nuclei is reviewed. A technique for modeling quasiparticle excitation energies and rotational parameters in odd-odd deformed nuclei is applied to actinide species where new experimental data have been obtained by use of neutron-capture gamma-ray spectroscopy. The input parameters required for the calculation are derived from empirical data on single-particle excitations in neighboring odd-mass nuclei. Calculated configuration-specific values for the Gallagher-Moszkowski splittings are used. Calculated and experimental level structures for /sup 238/Np, /sup 244/Am, and /sup 250/Bk are compared, as well as those for several nuclei in the rare-earth region. The agreement for the actinide species is excellent, with bandhead energies deviating 22 keV and rotational parameters 5%, on the average. Applications of this modeling technique are discussed.

  12. Optimization of nanoparticle structure for improved conversion efficiency of dye solar cell

    SciTech Connect (OSTI)

    Mohamed, Norani Muti, E-mail: noranimuti-mohamed@petronas.com.my [Centre of Innovative Nanostructure and Nanodevices, Universiti Teknologi PETRONAS, Seri Iskandar, 31750 Tronoh, Perak (Malaysia); Zaine, Siti Nur Azella, E-mail: ct.azella@gmail.com.my [Fundamental and Applied Sciences Department, Universiti Teknologi PETRONAS, Seri Iskandar, 31750 Tronoh, Perak (Malaysia)

    2014-10-24T23:59:59.000Z

    Heavy dye loading and the ability to contain the light within the thin layer (typically ?12 ?m) are the requirement needed for the photoelectrode material in order to enhance the harvesting efficiency of dye solar cell. This can be realized by optimizing the particle size with desirable crystal structure. The paper reports the investigation on the dependency of the dye loading and light scattering on the properties of nanostructured photoelectrode materials by comparing 4 different samples of TiO{sub 2} in the form of nanoparticles and micron-sized TiO{sub 2} aggregates which composed of nanocrystallites. Their properties were evaluated by using scanning electron microscopy, X-ray diffraction and UVVis spectroscopy while the performance of the fabricated test cells were measured using universal photovoltaic test system (UPTS) under 1000 W/cm{sup 2} intensity of radiation. Nano sized particles provide large surface area which allow for greater dye adsorption but have no ability to retain the incident light in the TiO{sub 2} film. In contrast, micron-sized particles in the form of aggregates can generate light scattering allowing the travelling distance of the light to be extended and increasing the interaction between the photons and dye molecules adsorb on TiO{sub 2}nanocrystallites. This resulted in an improvement in the conversion efficiency of the aggregates that demonstrates the close relation between light scattering effect and the structure of the photolectrode film.

  13. Introducing Improved Structural Properties and Salt Dependence into a Coarse-Grained Model of DNA

    E-Print Network [OSTI]

    Snodin, Benedict E K; Mosayebi, Majid; Sulc, Petr; Schreck, John S; Romano, Flavio; Ouldridge, Thomas E; Tsukanov, Roman; Nir, Eyal; Louis, Ard A; Doye, Jonathan P K

    2015-01-01T23:59:59.000Z

    We introduce an extended version of oxDNA, a coarse-grained model of DNA designed to capture the thermodynamic, structural and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves, and by slightly modifying the coaxial stacking and backbone-backbone interactions, we improve the ability of the model to treat large (kilobase-pair) structures such as DNA origami which are sensitive to these geometric features. Further, we extend the model, which was previously parameterised to just one salt concentration ([Na+]=0.5M), so that it can be used for a range of salt concentrations including those corresponding to physiological conditions. Finally, we use new experimental data to parameterise the oxDNA potential so that consecutive adenine bases stack with a different strength to consecutive thymine bases, a feature which allows a more accurate treatment of systems where the flexibility of single-stranded regions is important. We illustrate the new possibilities opened...

  14. Site specific incorporation of heavy atom-containing unnatural amino acids into proteins for structure determination

    DOE Patents [OSTI]

    Xie, Jianming (San Diego, CA); Wang, Lei (San Diego, CA); Wu, Ning (Boston, MA); Schultz, Peter G. (La Jolla, CA)

    2008-07-15T23:59:59.000Z

    Translation systems and other compositions including orthogonal aminoacyl tRNA-synthetases that preferentially charge an orthogonal tRNA with an iodinated or brominated amino acid are provided. Nucleic acids encoding such synthetases are also described, as are methods and kits for producing proteins including heavy atom-containing amino acids, e.g., brominated or iodinated amino acids. Methods of determining the structure of a protein, e.g., a protein into which a heavy atom has been site-specifically incorporated through use of an orthogonal tRNA/aminoacyl tRNA-synthetase pair, are also described.

  15. Understanding and Improving High-Temperature Structural Properties of Metal-Silicide Intermetallics

    SciTech Connect (OSTI)

    Bruce S. Kang

    2005-10-10T23:59:59.000Z

    The objective of this project was to understand and improve high-temperature structural properties of metal-silicide intermetallic alloys. Through research collaboration between the research team at West Virginia University (WVU) and Dr. J.H. Schneibel at Oak Ridge National Laboratory (ORNL), molybdenum silicide alloys were developed at ORNL and evaluated at WVU through atomistic modeling analyses, thermo-mechanical tests, and metallurgical studies. In this study, molybdenum-based alloys were ductilized by dispersing MgAl2O4 or MgO spinel particles. The addition of spinel particles is hypothesized to getter impurities such as oxygen and nitrogen from the alloy matrix with the result of ductility improvement. The introduction of fine dispersions has also been postulated to improve ductility by acting as a dislocation source or reducing dislocation pile-ups at grain boundaries. The spinel particles, on the other hand, can also act as local notches or crack initiation sites, which is detrimental to the alloy mechanical properties. Optimization of material processing condition is important to develop the desirable molybdenum alloys with sufficient room-temperature ductility. Atomistic analyses were conducted to further understand the mechanism of ductility improvement of the molybdenum alloys and the results showed that trace amount of residual oxygen may be responsible for the brittle behavior of the as-cast Mo alloys. For the alloys studied, uniaxial tensile tests were conducted at different loading rates, and at room and elevated temperatures. Thermal cycling effect on the mechanical properties was also studied. Tensile tests for specimens subjected to either ten or twenty thermal cycles were conducted. For each test, a follow-up detailed fractography and microstructural analysis were carried out. The test results were correlated to the size, density, distribution of the spinel particles and processing time. Thermal expansion tests were carried out using thermo-mechanical analyzer (TMA). Results showed that the coefficient of thermal expansion (CTE) value decreases with the addition of spinel and silicide particles. Thermo-cycling tests showed that molybdenum alloy with 6% wt of spinel (MgAl2O4) developed microcracks which were caused by thermal expansion mismatch between the spinel particles and molybdenum matrix, as well as the processing conditions. Detailed post-mortem studies of microstructures and segregation of impurities to the oxide dispersion/Mo interfaces were conducted using x-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS).

  16. Characterizing the nano and micro structure of concrete to improve its durability

    SciTech Connect (OSTI)

    Monteiro, P.J.M.; Kirchheim, A.P.; Chae, S.; Fischer, P.; MacDowell, A.A.; Schaible, E.; Wenk, H.R.

    2008-10-22T23:59:59.000Z

    New and advanced methodologies have been developed to characterize the nano and microstructure of cement paste and concrete exposed to aggressive environments. High resolution full-field soft X-ray imaging in the water window is providing new insight on the nano scale of the cement hydration process, which leads to a nano-optimization of cement-based systems. Hard X-ray microtomography images on ice inside cement paste and cracking caused by the alkali-silica reaction (ASR) enables three-dimensional structural identification. The potential of neutron diffraction to determine reactive aggregates by measuring their residual strains and preferred orientation is studied. Results of experiments using these tools will be shown on this paper.

  17. Structure determination of {alpha}-La{sub 6}W{sub 2}O{sub 15}

    SciTech Connect (OSTI)

    Chambrier, M-H., E-mail: marie-helene.chambier.etu@univ-lemans.f [Laboratoire des Oxydes et Fluorures, UMR-CNRS 6010, Universite du Maine, 72085 Le Mans Cedex 9 (France); Ibberson, R.M. [ISIS Facility, STFC-Rutherford Appleton Laboratory, Harwell Science and Innovation Campus, Didcot OX11 0QX (United Kingdom); Goutenoire, F., E-mail: francois.goutenoire@univ-lemans.f [Laboratoire des Oxydes et Fluorures, UMR-CNRS 6010, Universite du Maine, 72085 Le Mans Cedex 9 (France)

    2010-06-15T23:59:59.000Z

    The structure of the high temperature alpha form of La{sub 6}W{sub 2}O{sub 15} has been determined ab-initio from high temperature laboratory X-ray and neutron time-of-flight data. This tungstate crystallizes in the non-centrosymmetric orthorhombic space group (No. 20) C222{sub 1}, with Z=2, a=12.6250(2) A, b=9.1875(1) A, c=5.9688(1) A. The structure comprises [O{sub 2}La{sub 3}] infinite ribbons and is better described by the structural formula [O{sub 2}La{sub 3}]{sub 2}[WO{sub 5.5}]{sub 2}. Using this description we can understand the strong structural similarity of the present compound with compounds of the general composition BiM{sub 2}AO{sub 6} (M=Cu, Mg, Zn, Mn, Cd, Ca, Pb; A=P, As, V) described as [O{sub 2}M{sub 2}Bi][AO{sub 4}]. The [WO{sub 5.5}] entity implies oxygen disorder in the material. - Graphical abstract: Projection of the polyhedra around the tungsten atom. Atoms labelled in grey are occupied at 50%. Short oxygen-oxygen distances are marked. The polyhedra represents WO{sub 5.5} that is related to the structural unit W{sub 2}O{sub 11} unit. Alpha-La{sub 6}W{sub 2}O{sub 15} could be described as [O{sub 2}La{sub 3}]{sub 2}[WO{sub 5.5}]{sub 2}.

  18. Dynamical Energy Analysis - determining wave energy distributions in complex vibro-acoustical structures

    E-Print Network [OSTI]

    Gregor Tanner

    2008-03-12T23:59:59.000Z

    We propose a new approach towards determining the distribution of mechanical and acoustic wave energy in complex built-up structures. The technique interpolates between standard Statistical Energy Analysis (SEA) and full ray tracing containing both these methods as limiting case. By writing the flow of ray trajectories in terms of linear phase space operators, it is suggested here to reformulate ray-tracing algorithms in terms of boundary operators containing only short ray segments. SEA can now be identified as a low resolution ray tracing algorithm and typical SEA assumptions can be quantified in terms of the properties of the ray dynamics. The new technique presented here enhances the range of applicability of standard SEA considerably by systematically incorporating dynamical correlations wherever necessary. Some of the inefficiencies inherent in typical ray tracing methods can be avoided using only a limited amount of the geometrical ray information. The new dynamical theory - Dynamical Energy Analysis (DEA) - thus provides a universal approach towards determining wave energy distributions in complex structures.

  19. Solid state nuclear magnetic resonance methodology and applications to structure determination of peptides, proteins and amyloid fibrils

    E-Print Network [OSTI]

    Jaroniec, Christopher P

    2003-01-01T23:59:59.000Z

    Several methodological developments and applications of multidimensional solid-state nuclear magnetic resonance to biomolecular structure determination are presented. Studies are performed in uniformly 3C, 15N isotope ...

  20. Method of determining the extent to which a nickel structure has been attached by a fluorine-containing gas

    DOE Patents [OSTI]

    Brusie, James P. (Oak Ridge, TN)

    2004-07-13T23:59:59.000Z

    The method of determining the extent to which a nickel structure has been attacked by a halogen containing gas to which it has been exposed which comprises preparing a quantity of water substantially free from dissolved oxygen, passing ammonia gas through a cuprammonium solution to produce ammonia substantially free from oxygen, dissolving said oxygen-free ammonia in said water to produce a saturated aqueous ammonia solution free from uncombined oxygen, treating at least a portion of said nickel structure of predetermined weight with said solution to dissolve nickel compounds from the surface of said structure without dissolving an appreciable amount of said nickel and analyzing the resulting solution to determine the quantity of said nickel compounds that was associated with said said portion of said structure to determine the proportion of combined nickel in said nickel structure.

  1. Method of Determining the Extent to which a Nickel Structure has been Attached by a Fluorine-Containing Gas

    DOE Patents [OSTI]

    Brusie, James P.

    2004-07-13T23:59:59.000Z

    The method of determining the extent to which a nickel structure has been attacked by a halogen containing gas to which it has been exposed which comprises preparing a quantity of water substantially free from dissolved oxygen, passing ammonia gas through a cuprammonium solution to produce ammonia substantially free from oxygen, dissolving said oxygen-free ammonia in said water to produce a saturated aqueous ammonia solution free from uncombined oxygen, treating at least a portion of said nickel structure of predetermined weight with said solution to dissolve nickel compounds from the surface of said structure without dissolving an appreciable amount of said nickel and analyzing the resulting solution to determine the quantity of said nickel compounds that was associated with said said portion of said structure to determine the proportion of combined nickel in said nickel structure.

  2. Structure Dynamics Guided Enzyme Improvement of ENDO-BETA-1, 4-XYLANASE I 

    E-Print Network [OSTI]

    Uzuner, Ugur

    2013-06-06T23:59:59.000Z

    Enzyme structure dynamics has recently been revealed to be essential for structure-function relationship. Among various structure dynamics analysis platforms, hydrogen deuterium exchange mass spectrometry stands as an efficient and high...

  3. Synthesis, growth, structure determination and optical properties of chalcone derivative single crystal

    SciTech Connect (OSTI)

    Karthi, S., E-mail: girijaeaswaradas@gmail.com; Girija, E. K., E-mail: girijaeaswaradas@gmail.com [Department of Physics, Periyar University, Salem - 636011 (India)

    2014-04-24T23:59:59.000Z

    Acquiring large nonlinear optical (NLO) efficient organic material is essential for the development of optoelectronics and photonic devices. Chalcone is the donor - ? - acceptor - ? - donor (D-?-A-?-D) type conjugated molecule with appreciable hyperpolarizability of potential interest in NLO applications. The addition of vinyl and electron donor groups in the chalcone molecule may enhance the second harmonic generation (SHG) efficiency. Here we report the synthesis, crystal growth and characterization of a chalcone derivative 1-(4-methylphenyl)-5-(4-methoxyphenyl)-penta-2,4-dien-1-one (MPMPP). The MPMPP crystal was grown by slow evaporation solution growth technique from acetone. The grown crystal structure was studied by single crystal X-ray diffraction. The SHG efficiency of the grown crystal was determined by Kurtz and Perry method.

  4. Phase 1. Screening guidelines to determine the structures exempt from Executive Order 12941

    SciTech Connect (OSTI)

    NONE

    1995-09-01T23:59:59.000Z

    This report presents data regarding the guidelines for determining structures that are exempt from executive order 12941. Executive order 12941 was enacted to assure seismic safety of existing federally owned or leased buildings. This reports considered only the minimum amount of information. This information varied from building to building and from site to site. The scope of the guidelines is to cover all five DOE sites that fall under the DOE Oak Ridge Operations and are operated by LMES. These facilities are the ORNL, Y-12 Plant, K-25 Site all at Oak Ridge, Tennessee; the Paducah Gaseous Diffusion Plant, Paducah, Kentucky; and the Portsmouth Gaseous Diffusion Plant, Portsmouth, Ohio. Off site facilities, owned or leased, that are occupied by LMES are also included.

  5. Amino acid nutrition of the red drum (Sciaenops ocellatus): development of an improved test diet and determination of the total sulfur amino acid requirement

    E-Print Network [OSTI]

    Moon, Hae Young

    1990-01-01T23:59:59.000Z

    AMINO ACID NUTRITION OF THE RED DRUM (SCIAENOPS OCELLATUS): DEVELOPMENT OF AN IMPROVED TEST DIET AND DETERMINATION OF THE TOTAL SULFUR AMINO ACID REQUIREMENT A Thesis by HAE YOUNG MOON Submitted to the Office of Graduate Studies of Texas A...&M University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE May 1990 Major Subject: Wildlife and Fisheries Sciences AMINO ACID NUTRITION OF THE RED DRUM (SCIAENOPS OCELLATUS): DEVELOPMENT OF AN IMPROVED TEST DIET...

  6. Improved Beta-Protein Structure Prediction by Multilevel Optimization of NonLocal Strand Pairings and Local

    E-Print Network [OSTI]

    Baker, David

    using backbone torsion-space moves. An iterative, energy-biased resampling strategy is used to exploreImproved Beta-Protein Structure Prediction by Multilevel Optimization of NonLocal Strand Pairings and Local Backbone Conformation Philip Bradley and David Baker* University of Washington, Seattle

  7. Improved CNT-Si heterojunction solar cell with structured single-walled carbon nanotubes Shigeo Maruyama1

    E-Print Network [OSTI]

    Maruyama, Shigeo

    Improved CNT-Si heterojunction solar cell with structured single-walled carbon nanotubes Shigeo of Tokyo, Japan 113-8656 2 Department of Applied Physics, Aalto University School of Science, Finland 3, mechanical, and thermal properties are expected to be the most promising materials for next-generation energy

  8. Improvement of pin-type amorphous silicon solar cell performance by employing double silicon-carbide p-layer structure

    E-Print Network [OSTI]

    Kim, Yong Jung

    structure, and slow deposition rate improves the open-circuit voltage (Voc), short-circuit current density- proves the FF, as well as considerably enhances Voc and the short-circuit current density (Jsc). Thus through use of this buffer layer, the open-circuit voltage (Voc) and short-wavelength response could

  9. Improvement in mechanical properties through structural hierarchies in bio-inspired materials

    E-Print Network [OSTI]

    Sen, Dipanjan, 1980-

    2011-01-01T23:59:59.000Z

    Structural biological materials such as bone, nacre, insect cuticle, and sea sponge exoskeleton showcase the use of inferior building blocks like proteins and minerals to create structures that afford load-bearing and armor ...

  10. Structure Determination and Functional Analysis of a Chromate Reductase from Gluconacetobacter hansenii

    SciTech Connect (OSTI)

    Jin, Hongjun; Zhang, Yanfeng; Buchko, Garry W.; Varnum, Susan M.; Robinson, Howard; Squier, Thomas C.; Long, Philip E.

    2012-08-06T23:59:59.000Z

    Environmental protection through biological mechanisms that aid in the reductive immobilization of toxic metals (e.g.,chromate and uranyl) has been identified to involve specific NADH-dependent flavoproteins that promote cell viability. To understand the enzyme mechanisms responsible for metal reduction, the enzyme kinetics of a putative chromate reductasefrom Gluconacetobacter hansenii (Gh-ChrR) was measured and the crystal structure of the protein determined at 2.25 A°resolution. Gh-ChrR catalyzes the NADH-dependent reduction of chromate, ferricyanide, and uranyl anions under aerobic conditions. Kinetic measurements indicate that NADH acts as a substrate inhibitor; catalysis requires chromate binding prior to NADH association. The crystal structure of Gh-ChrR shows the protein is a homotetramer with one bound flavin mononucleotide (FMN) per subunit. A bound anion is visualized proximal to the FMN at the interface between adjacentsubunits within a cationic pocket, which is positioned at an optimal distance for hydride transfer. Site-directed substitutions of residues proposed to involve in both NADH and metal anion binding (N85A or R101A) result in 90–95% reductions in enzyme efficiencies for NADH-dependent chromate reduction. In comparison site-directed substitution of a residue (S118A) participating in the coordination of FMN in the active site results in only modest (50%) reductions in catalytic efficiencies, consistent with the presence of a multitude of side chains that position the FMN in the active site. The proposed proximity relationships between metal anion binding site and enzyme cofactors is discussed in terms of rational design principles for the use of enzymes in chromate and uranyl bioremediation.

  11. Synthesis and Structure Determination of Ferromagnetic Semiconductors LaAMnSnO6 (A = Sr Ba)

    SciTech Connect (OSTI)

    T Yang; T Perkisas; J Hadermann; M Croft; A Ignatov; M Greenblatt

    2011-12-31T23:59:59.000Z

    LaAMnSnO{sub 6} (A = Sr, Ba) have been synthesized by high temperature solid-state reactions under dynamic 1% H{sub 2}/Ar flow. Rietveld refinements on room temperature powder X-ray diffraction data indicate that LaSrMnSnO{sub 6} crystallizes in the GdFeO{sub 3}-structure, with space group Pnma and, combined with transmission electron microscopy, LaBaMnSnO{sub 6} in Imma. Both space groups are common in disordered double-perovskites. The Mn{sup 3+} and Sn{sup 4+} ions whose valence states were confirmed by X-ray absorption spectroscopy, are completely disordered over the B-sites and the BO{sub 6} octahedra are slightly distorted. LaAMnSnO{sub 6} are ferromagnetic semiconductors with a T{sub C} = 83 K for the Sr- and 66 K for the Ba-compound. The title compounds, together with the previously reported LaCaMnSnO{sub 6} provide an interesting example of progression from Pnma to Imma as the tolerance factor increases. An analysis of the relationship between space group and tolerance factor for the series LaAMnMO{sub 6} (A = Ca, Sr, Ba; M = Sn, Ru) provides a better understanding of the symmetry determination for double perovskites.

  12. Using prosodic structure to improve pitch range variation in text to speech synthesis. 

    E-Print Network [OSTI]

    Clark, Robert A J

    1999-01-01T23:59:59.000Z

    The intonation produced by current text-to-speech systems is often either flat or artificial sounding. Pitch range is one of the contributing factors which could be improved by more detailed linguistic knowledge. In ...

  13. An improved powertrain attributes development process with the use of design structure matrix

    E-Print Network [OSTI]

    Rinkevich, Daniel J. (Daniel Joseph), 1960-

    2004-01-01T23:59:59.000Z

    Automobiles are becoming increasingly complicated and are creating more of a challenge for the engineering teams working on them. This thesis focuses on improving the methods of managing powertrain attributes and the ...

  14. An improved structural mechanics model for the FRAPCON nuclear fuel performance code

    E-Print Network [OSTI]

    Mieloszyk, Alexander James

    2012-01-01T23:59:59.000Z

    In order to provide improved predictions of Pellet Cladding Mechanical Interaction (PCMI) for the FRAPCON nuclear fuel performance code, a new model, the FRAPCON Radial-Axial Soft Pellet (FRASP) model, was developed. This ...

  15. Survey of historical incidences with Controls-Structures Interaction and recommended technology improvements needed to put hardware in space

    SciTech Connect (OSTI)

    Ketner, G.L.

    1989-03-01T23:59:59.000Z

    Pacific Northwest Laboratory (PNL) conducted a survey for the Controls-Structures Interaction (CSI) Office of the National Aeronautics and Space Administration's (NASA) Langley Research Center. The purpose of the survey was to collect information documenting past incidences of problems with CSI during design, analysis, ground development, test and/or flight operation of space systems in industry. The survey was conducted to also compile recommended improvements in technology to support future needs for putting hardware into space. 3 refs., 1 tab.

  16. AlGaN/GaN MIS-HEMT Gate Structure Improvement Using Al2O3 Deposited by PEALD

    E-Print Network [OSTI]

    Boyer, Edmond

    AlGaN/GaN MIS-HEMT Gate Structure Improvement Using Al2O3 Deposited by PEALD R. Meunier1 , A, 38054 Grenoble Cedex 9, France 2 LAAS-CNRS, 7 Avenue du Colonel Roche, 31400 Toulouse, France AlGaN /GaN behavior. Those trapped charges can be associated to the carbon contamination of the AlGaN surface

  17. TOWARD AN IMPROVED UNDERSTANDING OF STRUCTURE AND MAGNETISM IN NEPTUNIUM AND PLUTONIUM PHOSPHONATES AND SULFONATES

    SciTech Connect (OSTI)

    Albrecht-Schmitt, Thomas

    2012-03-01T23:59:59.000Z

    This grant supported the exploratory synthesis of new actinide materials with all of the actinides from thorium to californium with the exceptions of protactinium and berkelium. We developed detailed structure-property relationships that allowed for the identification of novel materials with selective ion-exchange, selective oxidation, and long-range magnetic ordering. We found novel bonding motifs and identified periodic trends across the actinide series. We identified structural building units that would lead to desired structural features and novel topologies. We also characterized many different spectroscopic trends across the actinide series. The grant support the preparation of approximately 1200 new compounds all of which were structurally characterized.

  18. Nanoscale structure in AgSbTe2 determined by diffuse elastic neutron scattering

    SciTech Connect (OSTI)

    Specht, Eliot D [ORNL; Ma, Jie [ORNL; Delaire, Olivier A [ORNL; Budai, John D [ORNL; May, Andrew F [ORNL; Karapetrova, Evguenia A. [Argonne National Laboratory (ANL)

    2015-01-01T23:59:59.000Z

    Diffuse elastic neutron scattering measurements confirm that AgSbTe2 has a hierarchical structure, with defects on length scales from nanometers to microns. While scattering from mesoscale structure is consistent with previously-proposed structures in which Ag and Sb order on a NaCl lattice, more diffuse scattering from nanoscale structure suggests a structural rearrangement in which hexagonal layers form a combination of (ABC), (ABA), and (AAB) stacking sequences. The AgCrSe2 structure is the best-fitting model for the local atomic arrangements.

  19. Improved Load Distribution for Load Rating of Low-Fill Box Structures

    E-Print Network [OSTI]

    Acharya, Raju

    2012-12-31T23:59:59.000Z

    . The distribution of live loads on the top slab of a box culvert plays a major role in determining the rating factor of the culvert. The current AASHTO guidelines do not consider the effects of pavements present above the fill while determining the load distribution...

  20. Stiffness-Mass Ratios Method for a baseline determination and damage assessment of a benchmark structure

    E-Print Network [OSTI]

    Rocha, Ramses Rodriguez

    2002-01-01T23:59:59.000Z

    A new method based on ratios between stiffness and mass values from the eigenvalue problem is introduced and applied to the benchmark structure to obtain baseline modal parameters utilizing damaged state information of the structure. The benchmark...

  1. Performance improvements of symmetry-breaking reflector structures in nonimaging devices

    DOE Patents [OSTI]

    Winston, Roland

    2004-01-13T23:59:59.000Z

    A structure and method for providing a broken symmetry reflector structure for a solar concentrator device. The component of the optical direction vector along the symmetry axis is conserved for all rays propagated through a translationally symmetric optical device. This quantity, referred to as the translational skew invariant, is conserved in rotationally symmetric optical systems. Performance limits for translationally symmetric nonimaging optical devices are derived from the distributions of the translational skew invariant for the optical source and for the target to which flux is to be transferred. A numerically optimized non-tracking solar concentrator utilizing symmetry-breaking reflector structures can overcome the performance limits associated with translational symmetry.

  2. LocARNA-P: Accurate boundary prediction and improved detection of structural RNAs

    E-Print Network [OSTI]

    Joshi, T.

    Current genomic screens for noncoding RNAs (ncRNAs) predict a large number of genomic regions containing potential structural ncRNAs. The analysis of these data requires highly accurate prediction of ncRNA boundaries and ...

  3. Evaluation and Improvement of Multiple Sequence Methods for Protein Secondary Structure Prediction

    E-Print Network [OSTI]

    Barton, Geoffrey J.

    artifacts due to internal homology. A fully automatic World Wide Web service that pre- dicts protein;34:508­519. 1999 Wiley-Liss, Inc. Key words: protein; secondary structure predic- tion; combination of methods

  4. Improved Resolution of Hydrocarbon Structures and Constitutional Isomers in Complex Mixtures Using Gas Chromatography-Vacuum

    E-Print Network [OSTI]

    Cohen, Ronald C.

    structural constraints. The capabilities of this analysis are explored using diesel fuel, in which is more important in diesel fuel than previously shown. The classification of unknown hydrocarbons hydrocarbon mixture. Chemical analyses of environmental contamination often rely on chemical speciation

  5. Improved determination of the astrophysical S(0) factor of the (15)N(p,alpha)(12)C reaction

    E-Print Network [OSTI]

    La Cognata, M.; Goldberg, V. Z.; Mukhamedzhanov, A. M.; Spitaleri, C.; Tribble, Robert E.

    2009-01-01T23:59:59.000Z

    We present new improved R matrix fits of direct data and indirect Trojan Horse data for the (15)N(p,alpha)(12)C reaction and provide a more accurate recommended value of S(0)=73.0 +/- 5.0 MeV b from direct Redder data [A. Redder , Z. Phys. A 305...

  6. Improved determination of the astrophysical S(0) factor of the (15)N(p,alpha)(12)C reaction 

    E-Print Network [OSTI]

    La Cognata, M.; Goldberg, V. Z.; Mukhamedzhanov, A. M.; Spitaleri, C.; Tribble, Robert E.

    2009-01-01T23:59:59.000Z

    We present new improved R matrix fits of direct data and indirect Trojan Horse data for the (15)N(p,alpha)(12)C reaction and provide a more accurate recommended value of S(0)=73.0 +/- 5.0 MeV b from direct Redder data [A. ...

  7. Improved resolution of hydrocarbon structures and constitutional isomers in complex mixtures using Gas Chromatography-Vacuum Ultraviolet-Mass Spectrometry (GC-VUV-MS)

    SciTech Connect (OSTI)

    Aerosol Dynamics Inc; Aerodyne Research, Inc.,; Tofwerk AG, Thun; Isaacman, Gabriel; Wilson, Kevin R.; Chan, Arthur W. H.; Worton, David R.; Kimmel, Joel R.; Nah, Theodora; Hohaus, Thorsten; Gonin, Marc; Kroll, Jesse H.; Worsnop, Doug R.; Goldstein, Allen H.

    2011-09-13T23:59:59.000Z

    Understanding the composition of complex hydrocarbon mixtures is important for environmental studies in a variety of fields, but many prevalent compounds cannot be confidently identified using traditional gas chromatography-mass spectrometry (GC-MS) techniques. This work uses vacuum-ultraviolet (VUV) ionization to elucidate the structures of a traditionally"unresolved complex mixture" by separating components by GC retention time, tR, and mass-to-charge ratio, m/Q, which are used to determine carbon number, NC, and the number of rings and double bonds, NDBE. Constitutional isomers are resolved based on tR, enabling the most complete quantitative analysis to date of structural isomers in an environmentally-relevant hydrocarbon mixture. Unknown compounds are classified in this work by carbon number, degree of saturation, presence of rings, and degree of branching, providing structural constraints. The capabilities of this analysis are explored using diesel fuel, in which constitutional isomer distribution patterns are shown to be reproducible between carbon numbers and follow predictable rules. Nearly half of the aliphatic hydrocarbon mass is shown to be branched, suggesting branching is more important in diesel fuel than previously shown. The classification of unknown hydrocarbons and the resolution of constitutional isomers significantly improves resolution capabilities for any complex hydrocarbon mixture.

  8. Using a structural and logics systems approach to infer bHLH–DNA binding specificity determinants

    E-Print Network [OSTI]

    Masi, Federico De

    Numerous efforts are underway to determine gene regulatory networks that describe physical relationships between transcription factors (TFs) and their target DNA sequences. Members of paralogous TF families typically ...

  9. Facilitation of protein 3-D structure determination using enhanced peptide amide deuterium exchange mass spectrometry (DXMS)

    E-Print Network [OSTI]

    Pantazatos, Dennis Peter

    2006-01-01T23:59:59.000Z

    hydrophobic interaction in protein folding. Proc Natl Acad1999;28:1-27. 15. Protein Folding, Dynamics, and StructuralHydrogen exchange and protein folding. Curr. Opin. Struct.

  10. UV Resonance Raman-Selective Amide Vibrational Enhancement: Quantitative Methodology for Determining Protein Secondary Structure

    E-Print Network [OSTI]

    Asher, Sanford A.

    UV Resonance Raman-Selective Amide Vibrational Enhancement: Quantitative Methodology secondary structures, using UV resonance Raman spectroscopy (UVRRS) excited with a 206.5-nm CW laser changes in secondary structure in the protein, such as R-helix melting, while changes in the aromatic

  11. CX-005428: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Determination Improved Structure and Fabrication of Large High-Power Kinetic Hydropower System Rotors -Year 2 CX(s) Applied: A9, B3.1, B5.1 Date: 03172011 Location(s):...

  12. CX-003728: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Determination Improved Structure and Fabrication of Large, High-Power Kinetic Hydropower System Rotors - Year 2 CX(s) Applied: A9, B3.1, B5.1 Date: 09162010 Location(s):...

  13. Improving Structural Testing of Object-Oriented Programs via Integrating Evolutionary Testing and

    E-Print Network [OSTI]

    Xie, Tao

    @ncsu.edu Tao Xie Department of Computer Science North Carolina State University xie@csc.ncsu.edu Abstract structural coverage such as branch coverage over manual testing, many branches in the program under test has reached the user-specified bound. However, these symbolic execution tools do not provide effective

  14. Ab-Initio Determination of Novel Crystal Structures of the Thermoelectric Material MgAgSb

    SciTech Connect (OSTI)

    Kirkham, Melanie J [ORNL; Moreira Dos Santos, Antonio F [ORNL; Rawn, Claudia J [ORNL; Lara-Curzio, Edgar [ORNL; Sharp, Jeff W. [Marlow Industries, Inc; Thompson, Alan [Marlow Industries, Inc

    2012-01-01T23:59:59.000Z

    Materials with the half-Heusler structure possess interesting electrical and magnetic properties, including potential for thermoelectric applications. MgAgSb is compositionally and structurally related to many half-Heusler materials, but has not been extensively studied. This work presents the high-temperature X-ray diffraction analysis of MgAgSb between 27 and 420 C, complemented with thermoelectric property measurements. MgAgSb is found to exist in three different structures in this temperature region, taking the half-Heusler structure at high temperatures, a Cu2Sb-related structure at intermediate temperatures, and a previously unreported tetragonal structure at room temperature. All three structures are related by a distorted Mg-Sb rocksalt-type sublattice, differing primarily in the Ag location among the available tetrahedral sites. Transition temperatures between the three phases correlate well with discontinuities in the Seebeck coefficient and electrical conductivity; the best performance occurs with the novel room temperature phase. For application of MgAgSb as a thermoelectric material, it may be desirable to develop methods to stabilize the room temperature phase at higher temperatures.

  15. Thermal neutron diffraction determination of the magnetic structure of EuCu{sub 2}Ge{sub 2}

    SciTech Connect (OSTI)

    Rowan-Weetaluktuk, W. N.; Ryan, D. H., E-mail: dhryan@physics.mcgill.ca [Department of Physics, and Centre for the Physics of Materials, McGill University, 3600 University Street, Montreal, Quebec H3A 2T8 (Canada); Lemoine, P. [Laboratoire CRISMAT, ENSICAEN, UMR 6508 CNRS, 6 Boulevard du Maréchal Juin, 14050 Caen Cedex 4 (France); Cadogan, J. M. [School of Physical, Environmental and Mathematical Sciences, UNSW Canberra at the Australian Defence Force Academy, Canberra BC 2610 (Australia)

    2014-05-07T23:59:59.000Z

    The magnetic structure of EuCu{sub 2}Ge{sub 2} has been determined by flat-plate neutron powder diffraction. Two magnetic phases are present in the neutron diffraction pattern at 3.5?K. They have the same moment, within error, and a common transition temperature. Both {sup 151}Eu and {sup 153}Eu Mössbauer spectroscopy show that the two magnetic phases belong to the same crystallographic phase. Both phases can be modelled by planar helimagnetic structures: one with a propagation vector of [0.654(1), 0, 0], the other with a propagation vector of [0.410(1), 0.225(1), 0].

  16. Biochemical Characterization and Structure Determination of a Prolyl 4-Hydroxylase-like Protein from Bacillus anthracis

    E-Print Network [OSTI]

    Culpepper, Megen

    2009-06-05T23:59:59.000Z

    provides insight into the dimeric structure of the alpha-subunits of human-P4H-1, as well as to help understand the mode of substrate recognition that may aide in the development of selective inhibitors....

  17. Development of new parameters for structure determination and dynamic investigations on biomacromolecules by NMR

    E-Print Network [OSTI]

    Duchardt, Elke, 1975-

    2005-01-01T23:59:59.000Z

    Nuclear magnetic resonance (NMR) spectroscopy is unique in the content of structural as well as dynamic information that it can provide at atomic resolution. The aim of this PhD-thesis was to contribute to the understanding ...

  18. Determining soft segment structure-property effects in the enhancement of segmented polyurethane performance

    E-Print Network [OSTI]

    Waletzko, Ryan Scott

    2009-01-01T23:59:59.000Z

    Liquid Crystalline Elastomer (LCE)-inspired segmented polyurethane elastomers possessing widely different extents of ordering were created to mimic the hierarchical structure of the continuous matrix and superior mechanical ...

  19. Structural determinants for the inhibitory ligands of orotidine-5?-monophosphate decarboxylase

    SciTech Connect (OSTI)

    Meza-Avina, Maria Elena; Wei, Lianhu; Liu, Yan; Poduch, Ewa; Bello, Angelica M.; Mishra, Ram K.; Pai, Emil F.; Kotra, Lakshmi P. (TGRI); (Toronto)

    2010-06-14T23:59:59.000Z

    In recent years, orotidine-5{prime}-monophosphate decarboxylase (ODCase) has gained renewed attention as a drug target. As a part of continuing efforts to design novel inhibitors of ODCase, we undertook a comprehensive study of potent, structurally diverse ligands of ODCase and analyzed their structural interactions in the active site of ODCase. These ligands comprise of pyrazole or pyrimidine nucleotides including the mononucleotide derivatives of pyrazofurin, barbiturate ribonucleoside, and 5-cyanouridine, as well as, in a computational approach, 1,4-dihydropyridine-based non-nucleoside inhibitors such as nifedipine and nimodipine. All these ligands bind in the active site of ODCase exhibiting distinct interactions paving the way to design novel inhibitors against this interesting enzyme. We propose an empirical model for the ligand structure for rational modifications in new drug design and potentially new lead structures.

  20. Selectively dispersed isotope labeling for protein structure determination by magic angle spinning NMR

    E-Print Network [OSTI]

    Eddy, Matthew T.

    The power of nuclear magnetic resonance spectroscopy derives from its site-specific access to chemical, structural and dynamic information. However, the corresponding multiplicity of interactions can be difficult to tease ...

  1. Structured Codes Improve the Bennett-Brassard-84 Quantum Key Rate

    E-Print Network [OSTI]

    Graeme Smith; Joseph M. Renes; John A. Smolin

    2008-04-28T23:59:59.000Z

    A central goal in information theory and cryptography is finding simple characterizations of optimal communication rates subject to various restrictions and security requirements. Ideally, the optimal key rate for a quantum key distribution (QKD) protocol would be given by {\\em single-letter formula} involving a simple optimization over a single use of an effective channel. We explore the possibility of such a formula for one of the simplest and most widely used QKD protocols--Bennett-Brassard-84 (BB84) with one way classical post-processing. We show that a conjectured single-letter key-rate formula is false, uncovering a deep ignorance about asymptotically good private codes and pointing towards unfortunate complications in the theory of QKD. These complications are not without benefit--with added complexity comes better key rates than previously thought possible. We improve the threshold for secure key generation from a bit error rate of 0.124 to 0.129.

  2. Structure determination of the high-pressure phase of CdSe

    SciTech Connect (OSTI)

    Li, Yanchun, E-mail: liyc@ihep.ac.cn, E-mail: liuj@ihep.ac.cn; Lin, Chuanlong; Li, Xiaodong; Liu, Jing, E-mail: liyc@ihep.ac.cn, E-mail: liuj@ihep.ac.cn [Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Science, 100049 Beijing (China); Li, Gong [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Xu, Jian [Institute of Fluid Physics, China Academy of Engineering Physics, P. O. Box 919-102, Mianyang, Sichuan 621900 (China)

    2014-06-14T23:59:59.000Z

    Structural phase transition sequence of CdSe has been investigated at pressures up to 60?GPa under quasi-hydrostatic conditions using synchrotron X-ray diffraction. A phase transition from the wurtzite type (B4) to the NaCl-type (B1) structure has been observed, followed by another phase transition to an orthorhombic structure at 27?GPa, in agreement with previous reports. We show that this high-pressure orthorhombic phase has a Pnma symmetry rather than being a Cmcm-symmetric structure as previously suggested. From our observations, the appearance of the new reflections and reflection splitting with increasing pressure is due to the change of atomic relative positions in crystal lattice and the difference in the compression ratio of lattice parameters for the Pnma structure, and we find no evidence for the third phase transition reported previously. The pressure-induced phase transition of CdSe has been further confirmed by the density-functional theory calculations.

  3. Structural changes in block copolymer solution under shear flow as determined by nonequilibrium molecular dynamics

    E-Print Network [OSTI]

    Igor Rychkov; Kenichi Yoshikawa

    2003-10-06T23:59:59.000Z

    A nonequilibrium molecular dynamics computer simulation on microsegregated solutions of symmetrical diblock copolymers is reported. As the polymer concentration increases, the system undergoes phase transitions in the following order: body centered cubic (BCC) micelles, hexagonal (HEX) cylinders, gyroid (GYR) bicontinuous networks, and lamellae (L), which are the same morphologies that have been reported for block copolymer melts. Structural classification is based on the patterns of the anisotropic static structure factor and characteristic 3-dimensional images. The systems in the BCC micellar ($\\rho\\sigma^{3}=0.3$) and HEX cylindrical ($\\rho\\sigma^{3}=0.4$) phases were then subjected to a steady planar shear flow. In weak shear flow, the segregated domains in both systems tend to rearrange into sliding parallel close-packed layers with their normal in the direction of the shear gradient. At higher shear rates both systems adopt a perpendicular lamellar structure with the normal along the neutral direction. A further increase in the shear rate results in a decrease in lamellar spacing without any further structural transitions. Two critical shear rate values that correspond to the demarcation of different structural behaviors were found.

  4. Improving electronic structure methods to predict nano-optoelectronics and nano-catalyst functions.

    SciTech Connect (OSTI)

    Nielsen, Ida Marie B.; Marzari, Nicola (Massachusetts Institute of Technology); Shelnutt, John Allen; Kulik, Heather J. (Massachusetts Institute of Technology); Medforth, Craig John (University of New Mexico, Albuquerque, NM); Leung, Kevin

    2009-10-01T23:59:59.000Z

    This report focuses on quantum chemistry and ab initio molecular dynamics (AIMD) calculations applied to elucidate the mechanism of the multi-step, 2-electron, electrochemical reduction of the green house gas molecule carbon dioxide (CO{sub 2}) to carbon monoxide (CO) in aqueous media. When combined with H{sub 2} gas to form synthesis ('syn') gas, CO becomes a key precursor to methane, methanol, and other useful hydrocarbon products. To elucidate the mechanism of this reaction, we apply computational electrochemistry which is a fledgling, important area of basic science critical to energy storage. This report highlights several approaches, including the calculation of redox potentials, the explicit depiction of liquid water environments using AIMD, and free energy methods. While costly, these pioneering calculations reveal the key role of hydration- and protonation-stabilization of reaction intermediates, and may inform the design of CO{sub 2}-capture materials as well as its electrochemical reduction. In the course of this work, we have also dealt with the challenges of identifying and applying electronic structure methods which are sufficiently accurate to deal with transition metal ion complex-based catalyst. Such electronic structure methods are also pertinent to the accurate modeling of actinide materials and therefore to nuclear energy research. Our multi-pronged effort towards achieving this titular goal of the LDRD is discussed.

  5. Nonlinear optics determination of the symmetry group of a crystal using structured light

    E-Print Network [OSTI]

    Jauregui, Rocio

    2015-01-01T23:59:59.000Z

    We put forward a technique to unveil to which symmetry group a nonlinear crystal belongs, making use of nonlinear optics with structured light. We consider as example the process of spontaneous parametric down-conversion. The crystal, which is illuminated with a special type of Bessel beam, is characterized by a nonlinear susceptibility tensor whose structure is dictated by the symmetry group of the crystal. The observation of the spatial angular dependence of the lower-frequency generated light provides direct information about the symmetry group of the crystal.

  6. Using computerized tomography to determine ionospheric structures. Part 1, Notivation and basic approaches

    SciTech Connect (OSTI)

    Vittitoe, C.N.

    1993-08-01T23:59:59.000Z

    Properties of the ionosphere are reviewed along with its correlations with other geophysical phenomena and with applications of ionospheric studies to communication, navigation, and surveillance systems. Computer tomography is identified as a method to determine the detailed, three-dimensional distribution of electron density within the ionosphere. Several tomography methods are described, with a basic approach illustrated by an example. Limitations are identified.

  7. SUPPLEMENTARY MATERIAL Lipid bilayer structure determined by the simultaneous analysis of neutron

    E-Print Network [OSTI]

    Nagle, John F.

    scattering intensities I(q) for both neutrons and x-rays using )()()()( qPqPqIqF TSLC= , (1.) where PLC in structure between oriented and spherical bilayers experimentally using both neutron and x-ray scattering in (2). Our study concluded no difference between the two for x-ray and neutron scattering data

  8. A Microfluidic Device for Kinetic Optimization of Protein Crystallization and In Situ Structure Determination

    E-Print Network [OSTI]

    Quake, Stephen R.

    A Microfluidic Device for Kinetic Optimization of Protein Crystallization and In Situ Structure Received November 10, 2005; E-mail: quake@stanford.edu Recently microfluidic technologies have emerged microfluidic crystallization devices do not allow the post- crystallization addition of cryoprotectant

  9. Device and nondestructive method to determine subsurface micro-structure in dense materials

    DOE Patents [OSTI]

    Sun, Jiangang (Westmont, IL)

    2006-05-09T23:59:59.000Z

    A method and a device to detect subsurface three-dimensional micro-structure in a sample by illuminating the sample with light of a given polarization and detecting light emanating from the sample that has a different direction of polarization by means of a confocal optical system.

  10. DETERMINING THE EFFECTS OF RADIATION ON AGING CONCRETE STRUCTURES OF NUCLEAR REACTORS

    SciTech Connect (OSTI)

    Serrato, M.

    2010-01-29T23:59:59.000Z

    The U.S. Department of Energy Office of Environmental Management (DOE-EM) is responsible for the Decontamination and Decommissioning (D&D) of nuclear facilities throughout the DOE Complex. Some of these facilities will be completely dismantled, while others will be partially dismantled and the remaining structure will be stabilized with cementitious fill materials. The latter is a process known as In-Situ Decommissioning (ISD). The ISD decision process requires a detailed understanding of the existing facility conditions, and operational history. System information and material properties are need for aged nuclear facilities. This literature review investigated the properties of aged concrete structures affected by radiation. In particular, this review addresses the Savannah River Site (SRS) isotope production nuclear reactors. The concrete in the reactors at SRS was not seriously damaged by the levels of radiation exposure. Loss of composite compressive strength was the most common effect of radiation induced damage documented at nuclear power plants.

  11. Pore-structure determinations of silica aerogels by {sup 129}Xe NMR spectroscopy and imaging.

    SciTech Connect (OSTI)

    Gregory, D. M.; Gerald, R. E., II; Botto, R. E.; Chemistry

    1998-04-01T23:59:59.000Z

    Silica aerogels represent a new class of open-pore materials with pore dimensions on a scale of tens of nanometers, and are thus classified as mesoporous materials. In this work, we show that the combination of NMR spectroscopy and chemical-shift selective magnetic resonance imaging (MRI) can resolve some of the important aspects of the structure of silica aerogels. The use of xenon as a gaseous probe in combination with spatially resolved NMR techniques is demonstrated to be a powerful, new approach for characterizing the average pore structure and steady-state spatial distributions of xenon atoms in different physicochemical environments. Furthermore, dynamic NMR magnetization transfer experiments and pulsed-field gradient (PFG) measurements have been used to characterize exchange processes and diffusive motion of xenon in samples at equilibrium. In particular, this new NMR approach offers unique information and insights into the nanoscopic pore structure and microscopic morphology of aerogels and the dynamical behavior of occluded adsorbates. MRI provides spatially resolved information on the nature of the flaw regions found in these materials. Pseudo-first-order rate constants for magnetization transfer among the bulk and occluded xenon phases indicate xenon-exchange rate constants on the order of 1 s-1 for specimens having volumes of 0.03 cm3. PFG diffusion measurements show evidence of anisotropic diffusion for xenon occluded within aerogels, with nominal self-diffusivity coefficients on the order of D= 10-3cm2/s.

  12. Atmospheric structure and variability in areas of convective storms determined from 3-h rawinsonde data

    E-Print Network [OSTI]

    Wilson, Gregory Sims

    1975-01-01T23:59:59.000Z

    (1974) indicates RMS vector errors in wind speed for the AVE II data as follows: Level Elevation An le 700 mb 500 mb 300 Htb 40' 0. 5 m s 0. 8 m s " 1. 0ms 10' -1 2. 5ms -1 4. 5 ms 7. 8 m s 'ihese RNS errors agree closely with those.... , Texas A&M University Chairman of Advisory Committee: Dr. James R. Scoggins The structure and variability of the atmosphere in areas of radar- observed convection is established by using the unique 3-h rawinsonde and surface data from NASA's second...

  13. Standard Practice for Determining NeutronExposures for Nuclear Reactor Vessel Support Structures

    E-Print Network [OSTI]

    American Society for Testing and Materials. Philadelphia

    2008-01-01T23:59:59.000Z

    1.1 This practice covers procedures for monitoring the neutron radiation exposures experienced by ferritic materials in nuclear reactor vessel support structures located in the vicinity of the active core. This practice includes guidelines for: 1.1.1 Selecting appropriate dosimetric sensor sets and their proper installation in reactor cavities. 1.1.2 Making appropriate neutronics calculations to predict neutron radiation exposures. 1.2 This practice is applicable to all pressurized water reactors whose vessel supports will experience a lifetime neutron fluence (E > 1 MeV) that exceeds 1 × 1017 neutrons/cm2 or 3.0 × 10?4 dpa. (See Terminology E 170.) 1.3 Exposure of vessel support structures by gamma radiation is not included in the scope of this practice, but see the brief discussion of this issue in 3.2. 1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and h...

  14. Low Resolution Structure and Dynamics of a Colicin-Receptor Complex Determined by Neutron Scattering

    SciTech Connect (OSTI)

    Clifton, Luke A [ORNL; Johnson, Christopher L [ORNL; Solovyova, Alexandra [University of Newcastle upon Tyne; Callow, Phil [Institut Laue-Langevin (ILL); Weiss, Kevin L [ORNL; Ridley, Helen [University of Newcastle upon Tyne; Le Brun, Anton P [ORNL; Kinane, Christian [ISIS Facility, Rutherford Appleton Laboratory; Webster, John [ISIS Facility, Rutherford Appleton Laboratory; Holt, Stephen A [ORNL; Lakey, Jeremy H [ORNL

    2012-01-01T23:59:59.000Z

    Proteins that translocate across cell membranes need to overcome a significant hydrophobic barrier. This is usually accomplished via specialized protein complexes, which provide a polar transmembrane pore. Exceptions to this include bacterial toxins, which insert into and cross the lipid bilayer itself. We are studying the mechanism by which large antibacterial proteins enter Escherichia coli via specific outer membrane proteins. Here we describe the use of neutron scattering to investigate the interaction of colicin N with its outer membrane receptor protein OmpF. The positions of lipids, colicin N, and OmpF were separately resolved within complex structures by the use of selective deuteration. Neutron reflectivity showed, in real time, that OmpF mediates the insertion of colicin N into lipid monolayers. This data were complemented by Brewster Angle Microscopy images, which showed a lateral association of OmpF in the presence of colicin N. Small angle neutron scattering experiments then defined the three-dimensional structure of the colicin N-OmpF complex. This revealed that colicin N unfolds and binds to the OmpF-lipid interface. The implications of this unfolding step for colicin translocation across membranes are discussed.

  15. Activation and micropore structure determination of activated carbon-fiber composites

    SciTech Connect (OSTI)

    Jagtoyen, M.; Derbyshire, F.; Kimber, G. [Univ. of Kentucky, Lexington, KY (United States). Center for Applied Energy Research

    1997-09-05T23:59:59.000Z

    Rigid, high surface area activated carbon fiber composites have been produced with high permeabilities for environmental applications in gas and water purification. These novel monolithic adsorbents can be produced in single pieces to a given size and shape. The project involves a collaboration between the Oak Ridge National Laboratory (ORNL) and the Center for Applied Energy Research (CAER), University of Kentucky. The carbon fiber composites are produced at the ORNL and activated at the CAER using different methods, with the aims of producing a uniform degree of activation, and of closely controlling pore structure and adsorptive properties. The main focus of the present work has been to find a satisfactory means to uniformly activate large samples of carbon fiber composites and produce controlled pore structures. Several environmental applications have been explored for the activated carbon fiber composites. One of these was to evaluate the activated composites for the separation of CH{sub 4}-CO{sub 2} mixtures, and an apparatus was constructed specifically for this purpose. The composites were further evaluated in the cyclic recovery of volatile organics. The activated carbon fiber composites have also been tested for possible water treatment applications by studying the adsorption of sodium pentachlorophenolate, PCP.

  16. Improved Description of One- and Two-Hole States after Electron Capture in 163 Holmium and the Determination of the Neutrino Mass

    E-Print Network [OSTI]

    Amand Faessler; Fedor Simkovic

    2015-04-07T23:59:59.000Z

    The atomic pair 163 Holmium and 163 Dysprosium seems due to the small Q value of about 2.3 to 2.8 keV the best case to determine the neutrino mass by electron capture. The bolometer spectrum measures the full deexcitation energy of Dysprosium by X rays, by Auger electrons and by the recoil of Holmium. The spectrum has an upper energy limit given by the Q value minus the neutrino mass. Till now this spectrum has been calculated allowing in Dysprosium excitations with 3s1/2, 3p1/2, 4s1/2, 4p1/2, 5s1/2, 5p1/2 one-holes only. Robertson calculated recently also the spectrum with two electron hole excitations in Dy. He took the probability for the excitation for the second electron hole from work of Carlson and Nestor for Z=54 Xenon. He claims, that the bolometer spectrum with two holes is "not well enough understood to permit a sensitive determination of the neutrino mass in this way." The purpose of the present work is to determine the theoretical bolometer spectrum with two hole excitations more reliably directly in holmium and dysprosium. In addition it will be shown, that the two-hole excitations do not complicate more the determination of the neutrino mass compared to the situation with one-hole states only. At the Q value the highest one-hole resonance is dominant. Under the assumption of a Lorentzian line shape one has to fit after inclusion of the experimental spectral function of the detector four quantities to the data: (1) The neutrino mass, (2) the energy distance of the dominant resonance to the Q value, (3) the line witdth and (4) the strength of the resonance. Compared to Robertson this work includes major improvements and it shows, that a determination of the neutrino mass is difficult but not impossible.

  17. IMPROVED V I log(gf) VALUES AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect (OSTI)

    Lawler, J. E.; Wood, M. P.; Den Hartog, E. A.; Feigenson, T. [Department of Physics, University of Wisconsin, Madison, WI 53706 (United States); Sneden, C. [Department of Astronomy and McDonald Observatory, University of Texas, Austin, TX 78712 (United States); Cowan, J. J., E-mail: jelawler@wisc.edu, E-mail: mpwood@wisc.edu, E-mail: eadenhar@wisc.edu, E-mail: tfeigenson@wisc.edu, E-mail: chris@verdi.as.utexas.edu, E-mail: cowan@nhn.ou.edu [Homer L. Dodge Department of Physics and Astronomy, University of Oklahoma, Norman, OK 73019 (United States)

    2015-01-01T23:59:59.000Z

    New emission branching fraction measurements for 836 lines of the first spectrum of vanadium (V I) are determined from hollow cathode lamp spectra recorded with the National Solar Observatory 1 m Fourier transform spectrometer (FTS) and a high-resolution echelle spectrometer. The branching fractions are combined with recently published radiative lifetimes from laser-induced fluorescence measurements to determine accurate absolute atomic transition probabilities for the 836 lines. The FTS data are also used to extract new hyperfine structure A coefficients for 26 levels of neutral vanadium. These new laboratory data are applied to determine the V abundance in the Sun and metal-poor star HD 84937, yielding log ?(V) = 3.956 ± 0.004 (? = 0.037) based on 93 V I lines and log ?(V) = 1.89 ± 0.03 (? = 0.07) based on nine V I lines, respectively, using the Holweger-Müller 1D model. These new V I abundance values for the Sun and HD 84937 agree well with our earlier determinations based upon V II.

  18. Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)(4)

    SciTech Connect (OSTI)

    Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S Matranga, C

    2013-04-04T23:59:59.000Z

    This paper reports our synthesis of flexible coordination polymer, Ni(L)[Ni(CN){sub 4}], (L = 1,2-bis(4- pyridyl)ethylene (nicknamed bpene)), and its structural characterization using synchrotron single crystal X-ray diffraction. The structure of the purplish crystals has been determined to be monoclinic, space group P2{sub 1}/m, a = 13.5941(12) Å, b = 14.3621(12) Å, c = 14.2561(12) Å, {beta} = 96.141(2){degrees|, V = 2767.4(4) Å{sup 3}, Z = 4, D{sub c} = 1.46 g cm{sup -1}. Ni(bpene)[Ni(CN){sub 4}] assumes a pillared layer structure with layers defined by Ni[Ni(CN){sub 4}]{sub n} nets and bpene ligands acting as pillars. With the present crystallization technique which involves the use of concentrated ammonium hydroxide solution and dimethyl sulfoxide (DMSO), disordered free bpene ligands and solvents of crystallization (DMSO and water molecules) occupy the pores, resulting in a formula of Ni(bpene)[Ni(CN){sub 4}](1/2)bpene.DMSO.2H{sub 2}O, or Ni{sub 2}N{sub 7}C{sub 24}H{sub 2}.5SO{sub 3}. Without the inclusion of free bpene ligands and solvent molecules, the free volume is approximately 61% of the total volume; this free volume fraction is reduced to 50% with the free ligands present. Pores without the free ligands were found to have a local diameter of 5.7 Å and a main aperture of 3.5 Å. Based on the successful crystal synthesis, we also devised a new bulk synthetic technique which yielded a polycrystalline material with a significantly improved CO{sub 2} uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO{sub 2} uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO{sub 2} per unit cell was obtained.

  19. Structural and Biochemical Determinants of Ligand Binding by the c-di-GMP Riboswitch

    SciTech Connect (OSTI)

    Smith, K.; Lipchock, S; Livingston,; Shanahan, C; Strobel, S

    2010-01-01T23:59:59.000Z

    The bacterial second messenger c-di-GMP is used in many species to control essential processes that allow the organism to adapt to its environment. The c-di-GMP riboswitch (GEMM) is an important downstream target in this signaling pathway and alters gene expression in response to changing concentrations of c-di-GMP. The riboswitch selectively recognizes its second messenger ligand primarily through contacts with two critical nucleotides. However, these two nucleotides are not the most highly conserved residues within the riboswitch sequence. Instead, nucleotides that stack with c-di-GMP and that form tertiary RNA contacts are the most invariant. Biochemical and structural evidence reveals that the most common natural variants are able to make alternative pairing interactions with both guanine bases of the ligand. Additionally, a high-resolution (2.3 {angstrom}) crystal structure of the native complex reveals that a single metal coordinates the c-di-GMP backbone. Evidence is also provided that after transcription of the first nucleotide on the 3{prime}-side of the P1 helix, which is predicted to be the molecular switch, the aptamer is functional for ligand binding. Although large energetic effects occur when several residues in the RNA are altered, mutations at the most conserved positions, rather than at positions that base pair with c-di-GMP, have the most detrimental effects on binding. Many mutants retain sufficient c-di-GMP affinity for the RNA to remain biologically relevant, which suggests that this motif is quite resilient to mutation.

  20. Evolutionary algorithms, chaotic excitations, and structural health monitor : on global search methods for improved damage detection via tailored inputs

    E-Print Network [OSTI]

    Olson, Colin C.

    2008-01-01T23:59:59.000Z

    Methods for Structural Health Monitoring, Proc. SPIE SmartMethods for Structural Health Monitoring, Proc. SPIE SmartFeatures in Structural Health Monitoring, Proc. 23 rd

  1. Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease

    SciTech Connect (OSTI)

    Liu, Zhigang; Wang, Yong; Brunzelle, Joseph; Kovari, Iulia A.; Kovari, Ladislau C. (WSU-MED); (NWU)

    2012-03-27T23:59:59.000Z

    Under drug selection pressure, emerging mutations render HIV-1 protease drug resistant, leading to the therapy failure in anti-HIV treatment. It is known that nine substrate cleavage site peptides bind to wild type (WT) HIV-1 protease in a conserved pattern. However, how the multidrug-resistant (MDR) HIV-1 protease binds to the substrate cleavage site peptides is yet to be determined. MDR769 HIV-1 protease (resistant mutations at residues 10, 36, 46, 54, 62, 63, 71, 82, 84, and 90) was selected for present study to understand the binding to its natural substrates. MDR769 HIV-1 protease was co-crystallized with nine substrate cleavage site hepta-peptides. Crystallographic studies show that MDR769 HIV-1 protease has an expanded substrate envelope with wide open flaps. Furthermore, ligand binding energy calculations indicate weaker binding in MDR769 HIV-1 protease-substrate complexes. These results help in designing the next generation of HIV-1 protease inhibitors by targeting the MDR HIV-1 protease.

  2. An Integrated Assessment of Geochemical and Community Structure Determinants of Metal Reduction Rates in Subsurface Sediments

    SciTech Connect (OSTI)

    Joel E. Kostka

    2008-03-24T23:59:59.000Z

    This project represented a joint effort between Oak Ridge National Laboratory (ORNL), the University of Tennessee (UT), and Florida State University (FSU). ORNL served as the lead in-stitution with Dr. A.V. Palumbo responsible for project coordination, integration, and deliver-ables. In situ uranium bioremediation is focused on biostimulating indigenous microorganisms through a combination of pH neutralization and the addition of large amounts of electron donor. Successful biostimulation of U(VI) reduction has been demonstrated in the field and in the laboratory. However, little data is available on the dynamics of microbial populations capable of U(VI) reduction, and the differences in the microbial community dynamics between proposed electron donors have not been explored. In order to elucidate the potential mechanisms of U(VI) reduction for optimization of bioremediation strategies, structure-function relationships of microbial populations were investigated in microcosms of subsurface materials cocontaminated with radionuclides and nitrate from the Oak Ridge Field Research Center (ORFRC), Oak Ridge, Tennessee.

  3. The Molecular Structure of a Phosphatidylserine Bilayer Determined by Scattering and Molecular Dynamics Simulations

    SciTech Connect (OSTI)

    Pan, Jianjun [University of South Florida, Tampa (USF)] [University of South Florida, Tampa (USF); Cheng, Xiaolin [ORNL] [ORNL; Monticelli, Luca [Institut National de la Santé et de la Recherche Médicale (INSERM) and INTS, France] [Institut National de la Santé et de la Recherche Médicale (INSERM) and INTS, France; Heberle, Frederick A [ORNL] [ORNL; Kucerka, Norbert [Atomic Energy of Canada Limited (AECL), Canadian Neutron Beam Centre (CNBC) and Comenius University,] [Atomic Energy of Canada Limited (AECL), Canadian Neutron Beam Centre (CNBC) and Comenius University,; Tieleman, D. Peter [University of Calgary, ALberta, Canada] [University of Calgary, ALberta, Canada; Katsaras, John [ORNL] [ORNL

    2014-01-01T23:59:59.000Z

    Phosphatidylserine (PS) lipids play essential roles in biological processes, including enzyme activation and apoptosis. We report on the molecular structure and atomic scale interactions of a fluid bilayer composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylserine (POPS). A scattering density profile model, aided by molecular dynamics (MD) simulations, was developed to jointly refine different contrast small-angle neutron and X-ray scattering data, which yielded a lipid area of 62.7 A2 at 25 C. MD simulations with POPS lipid area constrained at different values were also performed using all-atom and aliphatic united-atom models. The optimal simulated bilayer was obtained using a model-free comparison approach. Examination of the simulated bilayer, which agrees best with the experimental scattering data, reveals a preferential interaction between Na+ ions and the terminal serine and phosphate moieties. Long-range inter-lipid interactions were identified, primarily between the positively charged ammonium, and the negatively charged carboxylic and phosphate oxygens. The area compressibility modulus KA of the POPS bilayer was derived by quantifying lipid area as a function of surface tension from area-constrained MD simulations. It was found that POPS bilayers possess a much larger KA than that of neutral phosphatidylcholine lipid bilayers. We propose that the unique molecular features of POPS bilayers may play an important role in certain physiological functions.

  4. IMPROVED Ni I log(gf) VALUES AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect (OSTI)

    Wood, M. P.; Lawler, J. E. [Department of Physics, University of Wisconsin, Madison, WI 53706 (United States); Sneden, C. [Department of Astronomy and McDonald Observatory, University of Texas, Austin, TX 78712 (United States); Cowan, J. J., E-mail: mpwood@wisc.edu, E-mail: jelawler@wisc.edu, E-mail: chris@verdi.as.utexas.edu, E-mail: cowan@nhn.ou.edu [Homer L. Dodge Department of Physics and Astronomy, University of Oklahoma, Norman, OK 73019 (United States)

    2014-04-01T23:59:59.000Z

    Atomic transition probability measurements for 371 Ni I lines in the UV through near-IR are reported. Branching fractions from data recorded using a Fourier transform spectrometer and a new echelle spectrograph are combined with published radiative lifetimes to determine these transition probabilities. Generally good agreement is found in comparisons to previously reported Ni I transition probability measurements. Use of the new echelle spectrograph, independent radiometric calibration methods, and independent data analysis routines enable a reduction of systematic errors and overall improvement in transition probability uncertainty over previous measurements. The new Ni I data are applied to high-resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to derive new, more accurate Ni abundances. Lines covering a wide range of wavelength and excitation potential are used to search for non-LTE effects.

  5. WHAT DETERMINES THE DENSITY STRUCTURE OF MOLECULAR CLOUDS? A CASE STUDY OF ORION B WITH HERSCHEL

    SciTech Connect (OSTI)

    Schneider, N.; Andre, Ph.; Koenyves, V.; Motte, F.; Arzoumanian, D.; Didelon, P.; Hennemann, M.; Hill, T.; Palmeirim, P.; Peretto, N.; Roy, A. [IRFU/SAp CEA/DSM, Laboratoire AIM CNRS, Universite Paris Diderot, F-91191 Gif-sur-Yvette (France); Bontemps, S. [OASU/LAB-UMR5804, CNRS, Universite Bordeaux 1, F-33270 Floirac (France); Federrath, C. [MoCA, School of Mathematical Sciences, Monash University, VIC 3800 (Australia); Ward-Thompson, D. [Jeremiah Horrocks Institute, UCLAN, Preston, Lancashire PR1 2HE (United Kingdom); Benedettini, M.; Pezzuto, S.; Rygl, K. L. J. [IAPS-INAF, Fosso del Cavaliere 100, I-00133 Roma (Italy); Bressert, E. [CSIRO Astronomy and Space Science, Epping (Australia); Di Francesco, J. [NRCC, Herzberg Institute of Astrophysics, University of Victoria (Canada); Griffin, M. [University School of Physics and Astronomy, Cardiff (United Kingdom); and others

    2013-04-01T23:59:59.000Z

    A key parameter to the description of all star formation processes is the density structure of the gas. In this Letter, we make use of probability distribution functions (PDFs) of Herschel column density maps of Orion B, Aquila, and Polaris, obtained with the Herschel Gould Belt survey (HGBS). We aim to understand which physical processes influence the PDF shape, and with which signatures. The PDFs of Orion B (Aquila) show a lognormal distribution for low column densities until A{sub V} {approx} 3 (6), and a power-law tail for high column densities, consistent with a {rho}{proportional_to}r {sup -2} profile for the equivalent spherical density distribution. The PDF of Orion B is broadened by external compression due to the nearby OB stellar aggregates. The PDF of a quiescent subregion of the non-star-forming Polaris cloud is nearly lognormal, indicating that supersonic turbulence governs the density distribution. But we also observe a deviation from the lognormal shape at A{sub V} > 1 for a subregion in Polaris that includes a prominent filament. We conclude that (1) the point where the PDF deviates from the lognormal form does not trace a universal A{sub V} -threshold for star formation, (2) statistical density fluctuations, intermittency, and magnetic fields can cause excess from the lognormal PDF at an early cloud formation stage, (3) core formation and/or global collapse of filaments and a non-isothermal gas distribution lead to a power-law tail, and (4) external compression broadens the column density PDF, consistent with numerical simulations.

  6. The determination of interfacial structure and phase transitions in Al/Cu and Al/Ni interfaces by means of surface extended x-ray absorption fine structure

    SciTech Connect (OSTI)

    Barrera, E.V. (Rice Univ., Houston, TX (United States). Dept. of Mechanical Engineering and Materials Science); Heald, S.M. (Brookhaven National Lab., Upton, NY (United States))

    1991-01-01T23:59:59.000Z

    Surface extended x-ray absorption fine structure (SEXAFS) was used to investigate the interfacial conditions of Al/Cu and Al/Ni shallow buried interfaces. Previous studies using glancing angle extended x-ray absorption fine structure, x-ray reflectivity, photoemission, and SEXAFS produced conflicting results as to whether or not the interfaces between Al and Cu and Al and Ni were reacted upon room temperature deposition. In this study polycrystalline bilayers of Al/Cu and Al/Ni and trilayers of Al/Cu/Al and Al/Ni/Al were deposited on tantalum foil at room temperature in ultra high vacuum and analyzed to evaluate the reactivity of these systems on a nanometer scale. It become overwhelming apparent that the interfacial phase reactions were a function of the vacuum conditions. Samples deposited with the optimum vacuum conditions showed reaction products upon deposition at room temperature which were characterized by comparisons to standards and by least squares fitting the be CuAl{sub 2} and NiAl{sub 3} respectively. The results of this study that the reacted zone thicknesses were readily dependent on the deposition parameters. For both Al on Cu and Al on Ni as well as the metal on Al conditions 10{Angstrom} reaction zones were observed. These reaction zones were smaller than that observed for bilayers of Al on Cu (30{Angstrom}) and Al on Ni (60{Angstrom}) where deposition rates were much higher and samples were much thicker. The reaction species are evident by SEXAFS, where the previous photoemission studies only indicated that changes had occurred. Improved vacuum conditions as compared to the earlier experiments is primarily the reason reactions on deposition were seen in this study as compared to the earlier SEXAFS studies.

  7. The determination of interfacial structure and phase transitions in Al/Cu and Al/Ni interfaces by means of surface extended x-ray absorption fine structure

    SciTech Connect (OSTI)

    Barrera, E.V. [Rice Univ., Houston, TX (United States). Dept. of Mechanical Engineering and Materials Science; Heald, S.M. [Brookhaven National Lab., Upton, NY (United States)

    1991-12-31T23:59:59.000Z

    Surface extended x-ray absorption fine structure (SEXAFS) was used to investigate the interfacial conditions of Al/Cu and Al/Ni shallow buried interfaces. Previous studies using glancing angle extended x-ray absorption fine structure, x-ray reflectivity, photoemission, and SEXAFS produced conflicting results as to whether or not the interfaces between Al and Cu and Al and Ni were reacted upon room temperature deposition. In this study polycrystalline bilayers of Al/Cu and Al/Ni and trilayers of Al/Cu/Al and Al/Ni/Al were deposited on tantalum foil at room temperature in ultra high vacuum and analyzed to evaluate the reactivity of these systems on a nanometer scale. It become overwhelming apparent that the interfacial phase reactions were a function of the vacuum conditions. Samples deposited with the optimum vacuum conditions showed reaction products upon deposition at room temperature which were characterized by comparisons to standards and by least squares fitting the be CuAl{sub 2} and NiAl{sub 3} respectively. The results of this study that the reacted zone thicknesses were readily dependent on the deposition parameters. For both Al on Cu and Al on Ni as well as the metal on Al conditions 10{Angstrom} reaction zones were observed. These reaction zones were smaller than that observed for bilayers of Al on Cu (30{Angstrom}) and Al on Ni (60{Angstrom}) where deposition rates were much higher and samples were much thicker. The reaction species are evident by SEXAFS, where the previous photoemission studies only indicated that changes had occurred. Improved vacuum conditions as compared to the earlier experiments is primarily the reason reactions on deposition were seen in this study as compared to the earlier SEXAFS studies.

  8. Structure of a zeolite ZSM-5-Bithiophene complex as determined by high-resolution synchrotron X-ray powder diffraction

    SciTech Connect (OSTI)

    Eylem, C.; Hriljac, J.A. [Brookhaven National Laboratory, Upton, NY (United States)] [Brookhaven National Laboratory, Upton, NY (United States); Ramamurthy, V.; Corbin, D.R. [Du Pont Co., Wilmington, DE (United States)] [Du Pont Co., Wilmington, DE (United States); Parise, J.B. [State Univ. of New York, Stony Brook, NY (United States)] [State Univ. of New York, Stony Brook, NY (United States)

    1996-04-01T23:59:59.000Z

    The structure of a zeolite ZSM-5 complex with ca. 4 molecules/unit cell of bithiophene was determined by high-resolution synchrotron X-ray powder diffraction. In adopts monoclinic symmetry in space group P2{sub 1}/n ({alpha} unique) between room temperature and 25 K, with refined lattice parameters at 25 K of a = 20.0614(4), b = 19.8251(4), c = 13.3623(4) {Angstrom}, and a = 90.848(2){degrees}. Structural modeling and Rietveld refinements showed that there are two crystallographically unique bithiophene molecules, each with an occupancy factor of ca. 0.5. One bithiophene is localized at the center of the straight channels with one of the rings residing at the intersection with the sinusoidal channels. The other molecule lies in the sinusoidal channels and projects partially into the straight channels. The relationship between polythiophene chain length and the formation of conducting polythiophene molecular wires in the ZSM-5 framework is discussed. 32 refs., 4 figs., 3 tabs.

  9. Experimental phasing for structure determination using membrane-protein crystals grown by the lipid cubic phase method

    SciTech Connect (OSTI)

    Li, Dianfan; Pye, Valerie E.; Caffrey, Martin, E-mail: martin.caffrey@tcd.ie [Trinity College Dublin, Dublin (Ireland)

    2015-01-01T23:59:59.000Z

    Very little information is available in the literature concerning the experimental heavy-atom phasing of membrane-protein structures where the crystals have been grown using the lipid cubic phase (in meso) method. In this paper, pre-labelling, co-crystallization, soaking, site-specific mercury binding to genetically engineered single-cysteine mutants and selenomethionine labelling as applied to an integral membrane kinase crystallized in meso are described. An assay to assess cysteine accessibility for mercury labelling of membrane proteins is introduced. Despite the marked increase in the number of membrane-protein structures solved using crystals grown by the lipid cubic phase or in meso method, only ten have been determined by SAD/MAD. This is likely to be a consequence of the technical difficulties associated with handling proteins and crystals in the sticky and viscous hosting mesophase that is usually incubated in glass sandwich plates for the purposes of crystallization. Here, a four-year campaign aimed at phasing the in meso structure of the integral membrane diacylglycerol kinase (DgkA) from Escherichia coli is reported. Heavy-atom labelling of this small hydrophobic enzyme was attempted by pre-labelling, co-crystallization, soaking, site-specific mercury binding to genetically engineered single-cysteine mutants and selenomethionine incorporation. Strategies and techniques for special handling are reported, as well as the typical results and the lessons learned for each of these approaches. In addition, an assay to assess the accessibility of cysteine residues in membrane proteins for mercury labelling is introduced. The various techniques and strategies described will provide a valuable reference for future experimental phasing of membrane proteins where crystals are grown by the lipid cubic phase method.

  10. Continuous mutual improvement of macromolecular structure models in the PDB and of X-ray crystallographic software: the dual role of deposited experimental data

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Los Alamos National Laboratory, Mail Stop M888, Los Alamos, NM 87507 (United States); Bricogne, Gerard, E-mail: terwilliger@lanl.gov [Global Phasing Ltd, Sheraton House, Castle Park, Cambridge CB3 0AX (United Kingdom); Los Alamos National Laboratory, Mail Stop M888, Los Alamos, NM 87507 (United States)

    2014-10-01T23:59:59.000Z

    Macromolecular structures deposited in the PDB can and should be continually reinterpreted and improved on the basis of their accompanying experimental X-ray data, exploiting the steady progress in methods and software that the deposition of such data into the PDB on a massive scale has made possible. Accurate crystal structures of macromolecules are of high importance in the biological and biomedical fields. Models of crystal structures in the Protein Data Bank (PDB) are in general of very high quality as deposited. However, methods for obtaining the best model of a macromolecular structure from a given set of experimental X-ray data continue to progress at a rapid pace, making it possible to improve most PDB entries after their deposition by re-analyzing the original deposited data with more recent software. This possibility represents a very significant departure from the situation that prevailed when the PDB was created, when it was envisioned as a cumulative repository of static contents. A radical paradigm shift for the PDB is therefore proposed, away from the static archive model towards a much more dynamic body of continuously improving results in symbiosis with continuously improving methods and software. These simultaneous improvements in methods and final results are made possible by the current deposition of processed crystallographic data (structure-factor amplitudes) and will be supported further by the deposition of raw data (diffraction images). It is argued that it is both desirable and feasible to carry out small-scale and large-scale efforts to make this paradigm shift a reality. Small-scale efforts would focus on optimizing structures that are of interest to specific investigators. Large-scale efforts would undertake a systematic re-optimization of all of the structures in the PDB, or alternatively the redetermination of groups of structures that are either related to or focused on specific questions. All of the resulting structures should be made generally available, along with the precursor entries, with various views of the structures being made available depending on the types of questions that users are interested in answering.

  11. AlGaN/GaN MIS-HEMT Gate Structure Improvement Using Al2O3 Deposited by Plasma-Enhanced ALD

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    AlGaN/GaN MIS-HEMT Gate Structure Improvement Using Al2O3 Deposited by Plasma-Enhanced ALD R(0)438782894 Abstract - In this work we evaluate the influence of the Al2O3 ALD deposition technique on AlGaN/GaN MIS drastically reduced with a measured average of 1e-11 A/mm for a drain-source bias of 5V. 1. Introduction AlGaN

  12. Improvements of biomass deconstruction enzymes

    SciTech Connect (OSTI)

    Sale, K. L.

    2012-03-01T23:59:59.000Z

    Sandia National Laboratories and DSM Innovation, Inc. collaborated on the investigation of the structure and function of cellulases from thermophilic fungi. Sandia's role was to use its expertise in protein structure determination and X-ray crystallography to solve the structure of these enzymes in their native state and in their substrate and product bound states. Sandia was also tasked to work with DSM to use the newly solved structure to, using computational approaches, analyze enzyme interactions with both bound substrate and bound product; the goal being to develop approaches for rationally designing improved cellulases for biomass deconstruction. We solved the structures of five cellulases from thermophilic fungi. Several of these were also solved with bound substrate/product, which allowed us to predict mutations that might enhance activity and stability.

  13. Improved performance of HgCdTe infrared detector focal plane arrays by modulating light field based on photonic crystal structure

    SciTech Connect (OSTI)

    Liang, Jian; Hu, Weida, E-mail: wdhu@mail.sitp.ac.cn; Ye, Zhenhua; Li, Zhifeng; Chen, Xiaoshuang, E-mail: xschen@mail.sitp.ac.cn; Lu, Wei [National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, 500 Yu Tian Road, Shanghai 200083 (China); Liao, Lei [Department of Physics and Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, Wuhan University, Wuhan 430072 (China)

    2014-05-14T23:59:59.000Z

    An HgCdTe long-wavelength infrared focal plane array photodetector is proposed by modulating light distributions based on the photonic crystal. It is shown that a promising prospect of improving performance is better light harvest and dark current limitation. To optimize the photon field distributions of the HgCdTe-based photonic crystal structure, a numerical method is built by combining the finite-element modeling and the finite-difference time-domain simulation. The optical and electrical characteristics of designed HgCdTe mid-wavelength and long-wavelength photon-trapping infrared detector focal plane arrays are obtained numerically. The results indicate that the photon crystal structure, which is entirely compatible with the large infrared focal plane arrays, can significantly reduce the dark current without degrading the quantum efficiency compared to the regular mesa or planar structure.

  14. Tuning the Passive Structural Response of an Oscillating-foil Propulsion Mechanism for Improved Thrust Generation and Efficiency

    E-Print Network [OSTI]

    Victoria, University of

    Thrust Generation and Efficiency by Andrew James Richards B.A.Sc., The University of British Columbia of an Oscillating-foil Propulsion Mechanism for Improved Thrust Generation and Efficiency by Andrew James Richards B for the use of flexible oscillating foils which, under suitable conditions, have been demon- strated

  15. The structures of full-length p53 monomer and tetramer when unbound to DNA and structural domain determination in p53

    E-Print Network [OSTI]

    Pham, Nam Hoang

    2011-01-01T23:59:59.000Z

    DNA recognition by p53 tetramers. Mol Cell 22, 741-753. 20.binding modes for p53 tetramers in complex with DNA. Procsite as a self-assembled tetramer. Structure 18, 246-256. 7.

  16. One simple step in the identification of the cofactors signals, one giant leap for the solution structure determination of multiheme proteins

    SciTech Connect (OSTI)

    Morgado, Leonor; Fernandes, Ana P. [Requimte-CQFB, Departamento de Quimica, Faculdade de Ciencias e Tecnologia, Universidade Nova de Lisboa, Campus Caparica, 2829-516 Caparica (Portugal)] [Requimte-CQFB, Departamento de Quimica, Faculdade de Ciencias e Tecnologia, Universidade Nova de Lisboa, Campus Caparica, 2829-516 Caparica (Portugal); Londer, Yuri Y. [Biosciences Division, Argonne National Laboratory, Argonne, IL 60439 (United States)] [Biosciences Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Bruix, Marta [Departamento de Espectroscopia y Estructura Molecular, Instituto de Quimica-Fisica 'Rocasolano', CSIC, Serrano 119, 28006 Madrid (Spain)] [Departamento de Espectroscopia y Estructura Molecular, Instituto de Quimica-Fisica 'Rocasolano', CSIC, Serrano 119, 28006 Madrid (Spain); Salgueiro, Carlos A., E-mail: csalgueiro@dq.fct.unl.pt [Requimte-CQFB, Departamento de Quimica, Faculdade de Ciencias e Tecnologia, Universidade Nova de Lisboa, Campus Caparica, 2829-516 Caparica (Portugal)

    2010-03-12T23:59:59.000Z

    Multiheme proteins play major roles in various biological systems. Structural information on these systems in solution is crucial to understand their functional mechanisms. However, the presence of numerous proton-containing groups in the heme cofactors and the magnetic properties of the heme iron, in particular in the oxidised state, complicates significantly the assignment of the NMR signals. Consequently, the multiheme proteins superfamily is extremely under-represented in structural databases, which constitutes a severe bottleneck in the elucidation of their structural-functional relationships. In this work, we present a strategy that simplifies the assignment of the NMR signals in multiheme proteins and, concomitantly, their solution structure determination, using the triheme cytochrome PpcA from the bacterium Geobacter sulfurreducens as a model. Cost-effective isotopic labeling was used to double label ({sup 13}C/{sup 15}N) the protein in its polypeptide chain, with the correct folding and heme post-translational modifications. The combined analysis of {sup 1}H-{sup 13}C HSQC NMR spectra obtained for labeled and unlabeled samples of PpcA allowed a straight discrimination between the heme cofactors and the polypeptide chain signals and their confident assignment. The results presented here will be the foundations to assist solution structure determination of multiheme proteins, which are still very scarce in the literature.

  17. The role of structure and entropy in determining differences in dynamics for glass formers with different interaction potentials

    E-Print Network [OSTI]

    Atreyee Banerjee; Shiladitya Sengupta; Srikanth Sastry; Sarika Maitra Bhattacharyya

    2014-04-03T23:59:59.000Z

    We present a study of two model liquids with different interaction potentials, exhibiting similar structure but significantly different dynamics at low temperatures. By evaluating the configurational entropy, we show that the differences in the dynamics of these systems can be understood in terms of their thermodynamic differences. Analyzing their structure, we demonstrate that differences in pair correlation functions between the two systems, through their contribution to the entropy, dominate the differences in their dynamics, and indeed overestimate the differences. Including the contribution of higher order structural correlations to the entropy leads to smaller estimates for the relaxation times, as well as smaller differences between the two studied systems.

  18. Single-particle structure determination by correlations of snapshot X-ray diffraction patterns (CXIDB ID 20)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Starodub, D.

    This deposition includes the diffraction images generated by the paired polystyrene spheres in random orientations. These images were used to determine and phase the single particle diffraction volume from their autocorrelation functions.

  19. Improvement of magnetic and structural stabilities in high-quality Co{sub 2}FeSi{sub 1?x}Al{sub x}/Si heterointerfaces

    SciTech Connect (OSTI)

    Yamada, S., E-mail: yamada@ee.es.osaka-u.ac.jp [Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531 (Japan); Tanikawa, K.; Oki, S.; Kawano, M.; Miyao, M. [Department of Electronics, Kyushu University, 744 Motooka, Fukuoka 819-0395 (Japan); Hamaya, K. [Graduate School of Engineering Science, Osaka University, Toyonaka 560-8531 (Japan); CREST, Japan Science and Technology Agency, Gobancho, Tokyo 102-0075 (Japan)

    2014-08-18T23:59:59.000Z

    We study high-quality Co{sub 2}FeSi{sub 1?x}Al{sub x} Heusler compound/Si (0 ? x ? 1) heterointerfaces for silicon (Si)-based spintronic applications. In thermal treatment conditions, the magnetic and structural stabilities of the Co{sub 2}FeSi{sub 1?x}Al{sub x}/Si heterointerfaces are improved with increasing x in Co{sub 2}FeSi{sub 1?x}Al{sub x}. Compared with L2{sub 1}-ordered Co{sub 2}FeSi/Si, B2-ordered Co{sub 2}FeAl/Si can suppress the diffusion of Si atoms into the Heusler-compound structure. This experimental study will provide an important knowledge for applications in Si-based spin transistors with metallic source/drain contacts.

  20. Determination of the linkage relationships and the gene-centromere genetic distances for endopeptidase structural genes in hexaploid wheat

    E-Print Network [OSTI]

    McMillin, David Edwin

    1977-01-01T23:59:59.000Z

    . The linkage relationships for the (EP) structural gene are shown below. centromere 42. 17 ~E -Blv 13. 04 7AL ~E-Ale 6. 67 ~E-Al 3. 90 10. 67 ACKNOMLF. DGT'KNT S Sincere gratitude is extended to all members of my graduate committee for. their guidance..., or KP-BlZ and their chromosome constitut on Linkage relationships for three (EP) structural genes on 7AL Chi square test for independence of EP-Aj. y and ~E-Alx Chi square testing the hypothesis that two independently segregating genes in FI...

  1. Using computerized tomography to determine ionospheric structures. Part 2, A method using curved paths to increase vertical resolution

    SciTech Connect (OSTI)

    Vittitoe, C.N.

    1993-08-01T23:59:59.000Z

    A method is presented to unfold the two-dimensional vertical structure in electron density by using data on the total electron content for a series of paths through the ionosphere. The method uses a set of orthonormal basis functions to represent the vertical structure and takes advantage of curved paths and the eikonical equation to reduce the number of iterations required for a solution. Curved paths allow a more thorough probing of the ionosphere with a given set of transmitter and receiver positions. The approach can be directly extended to more complex geometries.

  2. Summary Drought stress plays an important role in deter-mining both the structure and function of forest ecosystems,

    E-Print Network [OSTI]

    was parameterized from local mea- surements of vegetation structure, soil properties and meteo- rology, and tested against independent measurements of eco- system latent energy (LE) and carbon fluxes and soil water with the model suggest a highly conservative allocation strategy in the vegeta- tion, focused belowground

  3. Structure andhydrogeochemicalfunctioningof a sparkling natural mineral1 water system determined usinga multidisciplinary approach: a case study2

    E-Print Network [OSTI]

    Boyer, Edmond

    rootedhydraulically independent permeable structures that arefed by deep CO2-rich crustal20 fluids.The non sites.27 28 Keywords:thermal conditions, CO2, fractured rock, natural mineral water, France29 30 NOTE(Clemente and Villadolid-Abrigo 1993; Lachassagne et al. 2009).42 Sparklingnaturalmineral water systems comprise water, CO2

  4. Structures and Free-Energy Landscapes of the Wild Type and Mutants of the A2130 Peptide Are Determined

    E-Print Network [OSTI]

    Thirumalai, Devarajan

    Structures and Free-Energy Landscapes of the Wild Type and Mutants of the A21­30 Peptide-resistant wild-type A21­30 peptide and mutants E22Q (Dutch), D23N (Iowa), and K28N, are analyzed using molecular. Free-energy profiles and disconnectivity repre- sentation of the energy landscapes show

  5. Acta Cryst. (1997). B53, 916-922 Multi-Solution Genetic Algorithm Approach to Surface Structure Determination Using

    E-Print Network [OSTI]

    Marks, Laurence D.

    916 Acta Cryst. (1997). B53, 916-922 Multi-Solution Genetic Algorithm Approach to Surface Structure@merle.acns.nwu, edu (Received 5 May 1997; accepted 22 July 1997) Abstract We show that it is possible to use a multi (Collazo-Davila, Marks, Nishii & Tanishiro, 1997; Gilmore, Marks, Grozea, Collazo, Landree & Twesten, 1997

  6. Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal-Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid

    SciTech Connect (OSTI)

    Park,H.; Britten, J.; Mueller, U.; Lee, J.; Li, J.; Parise, J.

    2007-01-01T23:59:59.000Z

    Two new metal-organic framework compounds were synthesized under solvothermal conditions using Zn{sup 2+} ion, 1,2,4-triazole (TRZ), and 1,4- and 2,6-naphthalenedicarboxylic acids (NDC): Zn{sub 4}(TRZ){sub 4}(1,4-NDC){sub 2}-2DMF-2H{sub 2}O (1) and Zn{sub 4}(TRZ){sub 4}(2,6-NDC){sub 2}-2DMF-4H{sub 2}O (2). Their crystal structures were characterized by single-crystal X-ray diffraction. Structure 1 crystallizes in the P2{sub 1}/n space group with a = 13.609(2) {angstrom}, b = 27.181(5){angstrom}, c = 13.617(3) {angstrom}, {beta} = 92.46(1){sup o}, V = 5032.4(16) {angstrom}{sup 3}, and Z = 4. Structure 2 crystallizes in orthorhombic Pna2{sub 2} space group with a = 30.978(6) {angstrom}, b = 12.620(3) {angstrom}, c = 13.339(3) {angstrom}, V = 5215(2) {angstrom}{sup 3}, and Z = 4. Both structures are analogues of the previously reported Zn{sub 4}(TRZ){sub 4}(1,4-BDC){sub 2}-16H{sub 2}O where the layers of Zn-triazole moieties are pillared by aromatic dicarboxylates to create 3-D open frameworks. Nitrogen sorption studies revealed that these structures have Brunaer-Emmett-Teller (BET) surface areas of 362.1-584.1 m{sup 2}/g. Hydrogen sorption experiments showed they can store 0.84-1.09 wt % H{sub 2} at 77 K and 1 atm. Although they do not contain large pores or surface areas, they possess the hydrogen sorption capacities comparable to those of highly porous metal-organic frameworks.

  7. CX-006275: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Categorical Exclusion Determination CX-006275: Categorical Exclusion Determination Energy Audit; Efficiency Improvements; and Renewable Energy Installations; Township of...

  8. A Procedure for Determination of Degradation Acceptance Criteria for Structures and Passive Components in Nuclear Power Plants

    SciTech Connect (OSTI)

    Nie, J.; Braverman, J.; Hofmayer, C.; Choun, Y-S.; Hahm, D.; Choi, I-K.

    2012-01-30T23:59:59.000Z

    The Korea Atomic Energy Research Institute (KAERI) has been collaborating with Brookhaven National Laboratory since 2007 to develop a realistic seismic risk evaluation system which includes the consideration of aging of structures and components in nuclear power plants (NPPs). This collaboration program aims at providing technical support to a five-year KAERI research project, which includes three specific areas that are essential to seismic probabilistic risk assessment: (1) probabilistic seismic hazard analysis, (2) seismic fragility analysis including the effects of aging, and (3) a plant seismic risk analysis. The understanding and assessment of age-related degradations of structures, systems, and components and their impact on plant safety is the major goal of this KAERI-BNL collaboration. Four annual reports have been published before this report as a result of the collaboration research.

  9. Underpotential deposition of Ag adlayers on Pt(111): Structures and determination of O{sub 2} adsorption on Pt(111)

    SciTech Connect (OSTI)

    Marinkovic, N.S.; Wang, J.X.; Adzic, R.R.

    1997-09-01T23:59:59.000Z

    The structure of Ag adlayers deposited at underpotentials in sulfuric acid on Pt(111), and the inhibition of O{sub 2} reduction they cause, have been studied using grazing incident angle x-ray diffraction measurements, as well as linear sweep voltammetry and in situ FTIR spectroscopy. Ag forms a hexagonal incommensurate bilayer, with two mutually commensurate monolayers. It is aligned with the Pt(111) substrate, although slightly expanded. The first monolayer has a commensurate (1 x 1) structure. A second layer causes a restructuring of the first monolayer. Deposition of each monolayer is associated with one voltammetry Peak. A complete inhibition of O{sub 2} reduction on Pt(111) has been observed upon deposition of both, Ag monolayer and bilayer. Analysis of the inhibition of O{sub 2} reduction as a function of the Ag coverage shows that during reduction O{sub 2} adsorbs in a bridge configuration on Pt(111).

  10. Improved Description of One- and Two-Hole States after Electron Capture in 163 Holmium and the Determination of the Neutrino Mass

    E-Print Network [OSTI]

    Faessler, Amand

    2015-01-01T23:59:59.000Z

    The atomic pair 163 Holmium and 163 Dysprosium$ seems due to the small Q value of about 2.3 to 2.8 keV the best case to determine the neutrino mass by electron capture. The bolometer spectrum measures the full deexcitation energy of Dysprosium by X rays, by Auger electrons and by the recoil of Holmium. The spectrum has an upper energy limit given by the Q value minus the neutrino mass. Till now this spectrum has been calculated allowing in Dysprosium excitations with 3s1/2, 3p1/2, 4s1/2, 4p1/2, 5s1/2, 5p1/2 holes only. Robertson calculated recently also the spectrum with two electron hole excitations in Dy. He took the probability for the excitation for the second electron hole from work of Carlson and Nestor for Z=54 Xenon. He claims, that the bolometer spectrum with two holes is "not well enough understood to permit a sensitive determination of the neutrino mass in this way." The purpose of the present work is to determine the theoretical bolometer spectrum with two hole excitations more reliably. In additi...

  11. Determination of structural characteristics of saturates from diesel and kerosene fuels by carbon-13 nuclear magnetic resonance spectrometry

    SciTech Connect (OSTI)

    Cookson, D.J.; Smith, B.E.

    1985-04-01T23:59:59.000Z

    Two saturated hydrocarbon fractions, one mainly consisting of n-alkanes and the other containing only branched plus cyclic saturates, have been separated from each of a variety of diesel fuels (approximate boiling range 230-320/sup 0/C) and kerosene fuels (approximately 190-230/sup 0/C) using silica chromatography and urea clathration. The n-alkane fractions have been simply characterized by using conventional /sup 13/C NMR spectrometry, yielding average carbon chain lengths. The branched plus cyclic saturates fractions have been characterized by using the gated spin echo (GASPE) /sup 13/C NMR subspectra for each CH/sub n/ group type (n = 0 to 3) and allows the fractional abundances of CH/sub n/ groups to be measured. These data have been employed in devising and calculating a number of novel average structure parameters which report on the extent of branching and occurrence of ring structures in the fractions investigated. Spectral data are also used to identify some specific submolecular structures. 29 references, 7 figures, 4 tables.

  12. COOH-Terminal Clustering of Autoantibody and T-Cell Determinants on the Structure of GAD65 Provide Insights Into the Molecular Basis of Autoreactivity

    SciTech Connect (OSTI)

    Fenalti, Gustavo; Hampe, Christiane S.; Arafat, Yasir; Law, Ruby H.P.; Banga, J. Paul; Mackay, Ian R.; Whisstock, James C.; Buckle, Ashley M.; Rowley, Merrill J. (UWASH); (King’ s College); (Monash)

    2008-11-19T23:59:59.000Z

    To gain structural insights into the autoantigenic properties of GAD65 in type 1 diabetes, we analyzed experimental epitope mapping data in the context of the recently determined crystal structures of GAD65 and GAD67, to allow 'molecular positioning' of epitope sites for B- and T-cell reactivity. Data were assembled from analysis of reported effects of mutagenesis of GAD65 on its reactivity with a panel of 11 human monoclonal antibodies (mAbs), supplemented by use of recombinant Fab to cross-inhibit reactivity with GAD65 by radioimmunoprecipitation of the same mAbs. COOH-terminal region on GAD65 was the major autoantigenic site. B-cell epitopes were distributed within two separate clusters around different faces of the COOH-terminal domain. Inclusion of epitope sites in the pyridoxal phosphate- and NH{sub 2}-terminal domains was attributed to the juxtaposition of all three domains in the crystal structure. Epitope preferences of different mAbs to GAD65 aligned with different clinical expressions of type 1 diabetes. Epitopes for four of five known reactive T-cell sequences restricted by HLA DRB1*0401 were aligned to solvent-exposed regions of the GAD65 structure and colocalized within the two B-cell epitope clusters. The continuous COOH-terminal epitope region of GAD65 was structurally highly flexible and therefore differed markedly from the equivalent region of GAD67. Structural features could explain the differing antigenicity, and perhaps immunogenicity, of GAD65 versus GAD67. The proximity of B- and T-cell epitopes within the GAD65 structure suggests that antigen-antibody complexes may influence antigen processing by accessory cells and thereby T-cell reactivity.

  13. Where do particulate toxins reside? An improved paradigm for the structure and dynamics of the urban mid-Atlantic aerosol

    SciTech Connect (OSTI)

    Ondov, J.M. [Univ. of Maryland, College Park, MD (United States). Dept. of Chemistry and Biochemistry] [Univ. of Maryland, College Park, MD (United States). Dept. of Chemistry and Biochemistry; Wexler, A.S. [Univ. of Delaware, Newark, DE (United States). Dept. of Mechanical Engineering] [Univ. of Delaware, Newark, DE (United States). Dept. of Mechanical Engineering

    1998-09-01T23:59:59.000Z

    Discussions of excess mortality and morbidity from exposure to urban aerosol particles typically invoke the now 20-year-old trimodal aerosol paradigm proposed by Whitby to explain the structure and behavior of ambient aerosol volume and its major constituent, sulfate. However, this paradigm largely ignores the primary high-temperature combustion (HTC) components of the urban aerosol, which contribute minor amounts of the aerosol mass, but carry the bulk of the particulate toxins and numbers of aerosol particles. Studies encompassing the analyses of >100 size distributions of important intrinsic tracers of primary particles from HTC sources collected over the past decade in various environments show that urban aerosol contains a complex mixture of physically-discrete fresh and aged, primary particle populations from a variety of sources. Furthermore, whereas the behavior of fine-particulate aerosol mass and sulfate was described in terms of coagulation and accumulation aerosol scavenging of new secondary sulfate nuclei, studies reviewed herein suggest that the behavior of primary aerosol is mediated more by hygroscopic growth and cloud processing, accompanied by oxidation of SO{sub 2} on wet particles and droplets. The authors conclude that the distribution of airborne particulate toxins and their atmospheric behavior is far more complex than commonly conceptualized on the basis of the classical trimodal model, and they develop an extended paradigm in which the focus is on the primary accumulation aerosol.

  14. Improved determination of the sample composition of dimuon events produced in {\\boldmath $p\\bar{p}$} collisions at {\\boldmath $\\sqrt{s}=1.96$} TeV

    SciTech Connect (OSTI)

    Collaboration, CDF

    2011-05-01T23:59:59.000Z

    We use a new method to estimate with 5% accuracy the contribution of pion and kaon in-flight-decays to the dimuon data set acquired with the CDF detector. Based on this improved estimate, we show that the total number and the properties of the collected dimuon events are not yet accounted for by ordinary sources of dimuons which also include the contributions, as measured in the data, of heavy flavor, {gamma}, and Drell-Yan production in addition to muons mimicked by hadronic punchthrough. The number of unaccounted events corresponds to (12.8 {+-} 3.2)% of the b{bar b} production. We find that (23 {+-} 6)% of the unaccounted events contain additional muon candidates. For comparison, this fraction is (6.9 {+-} 0.4)% for events due to b{bar b} production.

  15. Precise determination of the spin structure function $\\mathbf{g_1}$ of the proton, deuteron and neutron

    E-Print Network [OSTI]

    Airapetian, A; Akopov, Z; Andrus, A; Aschenauer, E C; Augustyniak, W; Avakian, R; Avetisian, A; Avetissian, E; Belostotskii, S; Bianchi, N; Blok, H P; Böttcher, H; Borisov, A; Borysenko, A; Brüll, A; Bryzgalov, V; Capiluppi, M; Capitani, G P; Ciullo, G; Contalbrigo, M; Dalpiaz, P F; Deconinck, W; De Leo, R; Demey, M; De Nardo, L; De Sanctis, E; Devitsin, E; Diefenthaler, M; Di Nezza, P; Dreschler, J; Düren, M; Ehrenfried, M; Elalaoui-Moulay, A; Elbakian, G; Ellinghaus, F; Elschenbroich, U; Fabbri, R; Fantoni, A; Felawka, L; Frullani, S; Funel, A; Gabbert, D; Gärber, Y; Gapienko, G; Gapienko, V; Garibaldi, F; Garrow, K; Gavrilov, G; Karibian, V; Giordano, F; Grebenyuk, O; Gregor, I M; Guler, H; Gute, A; Hadjidakis, C; Hartig, M; Hasch, D; Hasegawa, T; Hesselink, W H A; Hillenbrand, A; Hoek, M; Holler, Y; Hommez, B; Hristova, I; Iarygin, G; Ivanilov, A; Izotov, A; Jackson, H E; Jgoun, A; Kaiser, R; Keri, T; Kinney, E; Kiselev, A; Kobayashi, T; Kopytin, M; Korotkov, V; Kozlov, V; Krauss, B; Kravchenko, P; Krivokhizhin, V G; Lagamba, L; Lapikas, L; Lenisa, P; Liebing, P; Linden-Levy, L A; Lorenzon, W; Lü, J; Lu, S; Ma, B Q; Maiheu, B; Makins, N C R; Mao, Y; Marianski, B; Marukyan, H; Masoli, F; Mexner, V; Meyners, N; Michler, T; Miklukho, O; Miller, C A; Miyachi, Y; Muccifora, V; Murray, M; Nagaitsev, A; Nappi, E; Naryshkin, Yu; Negodaev, M; Nowak, Wolf-Dieter; Ohsuga, H; Osborne, A; Perez-Benito, R; Pickert, N; Raithel, M; Reggiani, D; Reimer, P E; Reischl, A; Reolon, A R; Riedl, C; Rith, K; Rosner, G; Rostomyan, A; Rubacek, L; Rubin, J; Ryckbosch, D; Salomatin, Y; Sanjiev, I; Savin, I; Schäfer, A; Schnell, G; Schüler, K P; Seele, J; Seitz, B; Shearer, C; Shibata, T A; Shutov, V; Sinram, K; Stancari, M; Statera, M; Steffens, E; Steijger, J J M; Stenzel, H; Stewart, J; Stinzing, F; Stösslein, U; Streit, J; Tait, P; Tanaka, H; Taroian, S P; Tchuiko, B; Terkulov, A R; Trzcinski, A; Tytgat, M; Vandenbroucke, A; Van der Nat, P B; van der Steenhoven, G; Van Haarlem, Y; Veretennikov, D; Vikhrov, V; Vogel, C; Wang, S; Weiskopf, C; Ye, Y; Ye, Z; Yen, S; Zihlmann, B; Zupranski, P

    2006-01-01T23:59:59.000Z

    Precise measurements of the spin structure functions of the proton $g_1^p(x,Q^2)$ and deuteron $g_1^d(x,Q^2)$ are presented over the kinematic range $0.0041 \\leq x \\leq 0.9$ and $0.18 $ GeV$^2$ $\\leq Q^2 \\leq 20$ GeV$^2$. The data were collected at the HERMES experiment at DESY, in deep-inelastic scattering of 27.6 GeV longitudinally polarized positrons off longitudinally polarized hydrogen and deuterium gas targets internal to the HERA storage ring. The neutron spin structure function $g_1^n$ is extracted by combining proton and deuteron data. The integrals of $g_1^{p,d}$ at $Q^2=5$ GeV$^2$ are evaluated over the measured $x$ range. Neglecting any possible contribution to the $g_1^d$ integral from the region $x \\leq 0.021$, a value of $0.330 \\pm 0.011\\mathrm{(theo.)}\\pm0.025\\mathrm{(exp.)}\\pm 0.028$(evol.) is obtained for the flavor-singlet axial charge $a_0$ in a leading-twist NNLO analysis.

  16. High-Pressure Synthesis and Structure Determination of K6(SeO4)(SeO5), The First Potassium Orthoselenate(VI)

    SciTech Connect (OSTI)

    Orosel,D.; Dinnebeier, R.; Jansen, M.

    2006-01-01T23:59:59.000Z

    The authors report on the first synthesis of a potassium orthoselenate(VI), K{sub 6}(SeO{sub 4})(SeO{sub 5}), and the structure determination from synchrotron powder diffraction data. The title compound crystallizes in the tetragonal space group P4{sub 1}2{sub 1}2 with a = 8.1259(1) {angstrom}, c = 17.4953(2) {angstrom}, V = 1155.21(2) {angstrom}{sup 3}, and Z = 4. Selenium displays two different complex anions, tetrahedral SeO{sub 4}{sup 2-} and trigonal-bipyramidal SeO{sub 5}{sup 4-}. When the formula is reduced to A{sub 3}B, the spatial arrangement of the constituting building units can be derived from the Li{sub 3}Bi type of structure.

  17. U2504 Determines the Species Specificity of the A-Site Cleft Antibiotics: The Structures of Tiamulin, Homoharringtonine, and Bruceantin Bound to the Ribosome

    SciTech Connect (OSTI)

    Gürel, Güliz; Blaha, Gregor; Moore, Peter B.; Steitz, Thomas A.; Yale

    2009-06-30T23:59:59.000Z

    Structures have been obtained for the complexes that tiamulin, homoharringtonine, and bruceantin form with the large ribosomal subunit of Haloarcula marismortui at resolutions ranging from 2.65 to 3.2 {angstrom}. They show that all these inhibitors block protein synthesis by competing with the amino acid side chains of incoming aminoacyl-tRNAs for binding in the Asite cleft in the peptidyl-transferase center, which is universally conserved. In addition, these structures support the hypothesis that the species specificity exhibited by the A-site cleft inhibitors is determined by the interactions they make, or fail to make, with a single nucleotide, U2504 (Escherichia coli). In the ribosome, the position of U2504 is controlled by its interactions with neighboring nucleotides, whose identities vary among kingdoms.

  18. U2504 Determines the Species Specificity of the A-site Cleft Antibiotics: The sStructures of Tiamulin, Homoharringtonine and Bruceantin Bound to the Ribosome

    SciTech Connect (OSTI)

    Gurel, G.; Blaha, G; Moore, P; Steitz,

    2009-01-01T23:59:59.000Z

    Structures have been obtained for the complexes that tiamulin, homoharringtonine, and bruceantin form with the large ribosomal subunit of Haloarcula marismortui at resolutions ranging from 2.65 to 3.2 {angstrom}. They show that all these inhibitors block protein synthesis by competing with the amino acid side chains of incoming aminoacyl-tRNAs for binding in the A-site cleft in the peptidyl-transferase center, which is universally conserved. In addition, these structures support the hypothesis that the species specificity exhibited by the A-site cleft inhibitors is determined by the interactions they make, or fail to make, with a single nucleotide, U2504 (Escherichia coli). In the ribosome, the position of U2504 is controlled by its interactions with neighboring nucleotides, whose identities vary among kingdoms.

  19. Synthesis and determination of the structural and optical characteristics of cBN micropowder with Eu{sup 3+} ions

    SciTech Connect (OSTI)

    Leonchik, S. V., E-mail: Leonchik@physics.by; Karotki, A. V. [National Academy of Sciences of Belarus, Scientific-Practical Materials Research Center (Belarus)] [National Academy of Sciences of Belarus, Scientific-Practical Materials Research Center (Belarus)

    2013-10-15T23:59:59.000Z

    Cubic boron-nitride micropowder with Eu{sup 3+} ions (cBN:Eu) is synthesized under conditions of high pressures and temperatures. The structural, morphological, chemical, and optical characteristics of the cBN:Eu micropowder are studied using X-ray diffraction, energy-dispersive X-ray spectral microanalysis, photoluminescence, and optical transmission methods. It is found that the cBN:Eu lattice parameter is {approx}3.615 A. The intense red luminescence of the cBN:Eu micropowder (red glow), measured in the visible region of the spectrum in the range from 550 to 750 nm, is attributed to intracenter 4f-electron transitions of the Eu{sup 3+} ions. The possible nature of the cBN:Eu micropowder luminescence is discussed.

  20. X-ray absorption fine structure spectroscopic determination of plutonium speciation at the Rocky Flats environmental technology

    SciTech Connect (OSTI)

    Lezama-pacheco, Juan S [Los Alamos National Laboratory; Conradson, Steven D [Los Alamos National Laboratory; Clark, David L [Los Alamos National Laboratory

    2008-01-01T23:59:59.000Z

    X-ray Absorption Fine Structure spectroscopy was used to probe the speciation of the ppm level Pu in thirteen soil and concrete samples from the Rocky Flats Environmental Technology Site in support of the site remediation effort that has been successfully completed since these measurements. In addition to X-ray Absorption Near Edge Spectra, two of the samples yielded Extended X-ray Absorption Fine Structure spectra that could be analyzed by curve-fits. Most of these spectra exhibited features consistent with PU(IV), and more specificaJly, PuO{sub 2+x}-type speciation. Two were ambiguous, possibly indicating that Pu that was originally present in a different form was transforming into PuO{sub 2+x}, and one was interpreted as demonstrating the presence of an unusual Pu(VI) compound, consistent with its source being spills from a PUREX purification line onto a concrete floor and the resultant extreme conditions. These experimental results therefore validated models that predicted that insoluble PuO{sub 2+x} would be the most stable form of Pu in equilibrium with air and water even when the source terms were most likely Pu metal with organic compounds or a Pu fire. A corollary of these models' predictions and other in situ observations is therefore that the minimal transport of Pu that occurred on the site was via the resuspension and mobilization of colloidal particles. Under these conditions, the small amounts of diffusely distributed Pu that were left on the site after its remediation pose only a negligible hazard.

  1. Iron silicide formation at different layers of (Fe/Si){sub 3} multilayered structures determined by conversion electron Mössbauer spectroscopy

    SciTech Connect (OSTI)

    Badía-Romano, L., E-mail: lbadia@unizar.es; Bartolomé, J. [Departamento de Física de la Materia Condensada, Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, E-50009 Zaragoza (Spain); Rubín, J. [Departamento de Ciencia y Tecnología de Materiales y Fluidos, Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, E-50018 Zaragoza (Spain); Magén, C. [Laboratorio de Microscopías Avanzadas (LMA), Instituto de Nanociencia de Aragón (INA), Universidad de Zaragoza, E-50018 Zaragoza (Spain); Bürgler, D. E. [Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany)

    2014-07-14T23:59:59.000Z

    The morphology and the quantitative composition of the Fe-Si interface layer forming at each Fe layer of a (Fe/Si){sub 3} multilayer have been determined by means of conversion electron Mössbauer spectroscopy (CEMS) and high-resolution transmission electron microscopy (HRTEM). For the CEMS measurements, each layer was selected by depositing the Mössbauer active {sup 57}Fe isotope with 95% enrichment. Samples with Fe layers of nominal thickness d{sub Fe}?=?2.6?nm and Si spacers of d{sub Si}?=?1.5?nm were prepared by thermal evaporation onto a GaAs(001) substrate with an intermediate Ag(001) buffer layer. HRTEM images showed that Si layers grow amorphous and the epitaxial growth of the Fe is good only for the first deposited layer. The CEMS spectra show that at all Fe/Si and Si/Fe interfaces a paramagnetic c-Fe{sub 1?x}Si phase is formed, which contains 16% of the nominal Fe deposited in the Fe layer. The bottom Fe layer, which is in contact with the Ag buffer, also contains ?-Fe and an Fe{sub 1?x}Si{sub x} alloy that cannot be attributed to a single phase. In contrast, the other two layers only comprise an Fe{sub 1?x}Si{sub x} alloy with a Si concentration of ?0.15, but no ?-Fe.

  2. Determination of structure and phase transition of light element nanocomposites in mesoporous silica: case study of NH3BH3 in MCM-41

    SciTech Connect (OSTI)

    Kim, Hyun Jeong; Karkamkar, Abhijeet J.; Autrey, Thomas; Chupas, Peter; Proffen, Thomas E.

    2009-09-30T23:59:59.000Z

    The structure of ammonia borane (AB), NH3BH3, infused in mesoporous silica MCM-41 and its evolution over the temperature range of 80 to 300 K was investigated using the atomic pair distribution function (PDF) analysis of synchrotron X-ray powder diffraction data in order to understand the origin of improved dehydrogenation properties of the system. Our study shows how X-ray PDF analysis can be used to elucidate the structure of light guest species loaded in mesoporous silica materials despite of its low scattering power of composed elements (N, B, and H) compared to its host (SiO2). PDF analyses of two AB-loaded compositions with weight ratio AB:MCM-41=1:1 and 3:1 provide a strong evidence that AB aggregate, previously found in AB:MCM-41?1:1 samples, is same species as neat AB. For both of them an orthorhombic to tetragonal structural phase transition occurs at 225 K on warming. On the other hand, AB residing inside meso-pores, which is found in AB:MCM-41=1:2 sample, does not undergo such phase transition. It rather stays in tetragonal phase over a wide temperature range of 110 to 240 K and starts to lose structural correlation above 240 K. This strongly suggests that nano-confinement of AB inside meso-pores stabilizes high temperature tetragonal phase at much lower temperature. These results provide important clues to two critical questions: why nan-compositions of AB leads dehydrogenation to lower temperature and why the neat AB like propoerties are recovered at high AB loading samples. This work was supported by the US Department of Energy Office of Basic Energy Sciences, Chemical Sciences program. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  3. DETERMINATION OF AGE AND GENDER DIFFERENCES IN BIOCHEMICAL PROCESSES AFFECTING THE DISPOSITION OF 2-BUTOXYETHANOL AND ITS METABOLITES IN MICE AND RATS TO IMPROVE PBPK MODELING

    SciTech Connect (OSTI)

    Corley, Rick A.; Grant, Donna M.; Farris, Elizabeth; Weitz, Karl K.; Soelberg, Jolen J.; Thrall, K D.; Poet, Torka S.

    2005-03-28T23:59:59.000Z

    2-Butoxyethanol (BE) is the most widely used glycol ether solvent. BE's major metabolite, butoxyacetic acid (BAA), causes hemolysis with significant species differences in sensitivity. Several PBPK models have been developed over the past two decades to describe the disposition of BE and BAA in male rats and humans to refine health risk assessments. More recent efforts by Lee et al. (1998) to describe the kinetics of BE and BAA in the National Toxicology Program (NTP) chronic inhalation studies required the use of several assumptions to extrapolate model parameters from earlier PBPK models developed for young male rats to include female F344 and both sexes of B6C3F1 mice and the effects of aging. To replace these assumptions, studies were conducted to determine the impact of age, gender and species on the metabolism of BE, and the tissue partitioning, renal acid transport and plasma protein binding of BAA. In the current study, the Lee et al. PBPK model was updated and expanded to include the further metabolism of BAA and the salivary excretion of BE and BAA which may contribute to the forestomach irritation observed in mice in the NTP study. The revised model predicted that peak blood concentrations of BAA achieved following 6-hr inhalation exposures are greatest in young adult female rats at concentrations up to 300 ppm. This is not the case predicted for old (>18 months) animals, where peak blood concentrations of BAA in male and female mice were similar to or greater than female rats. The revised model serves as a quantitative tool for integrating an extensive pharmacokinetic and mechanistic database into a format that can readily be used to compare internal dosimetry across dose, route of exposure and species.

  4. Effect of improved TLD dosimetry on the determination of dose rate constants for {sup 125}I and {sup 103}Pd brachytherapy seeds

    SciTech Connect (OSTI)

    Rodriguez, M., E-mail: manuel.rodriguez@rmp.uhn.ca [Carleton Laboratory for Radiotherapy Physics, Carleton University, Ottawa, Ontario K1S 5B6, Canada and Princess Margaret Hospital, Toronto, Ontario M5G 2M9 (Canada); Rogers, D. W. O. [Carleton Laboratory for Radiotherapy Physics, Carleton University, Ottawa, Ontario K1S 5B6 (Canada)

    2014-11-01T23:59:59.000Z

    Purpose: To more accurately account for the relative intrinsic energy dependence and relative absorbed-dose energy dependence of TLDs when used to measure dose rate constants (DRCs) for {sup 125}I and {sup 103}Pd brachytherapy seeds, to thereby establish revised “measured values” for all seeds and compare the revised values with Monte Carlo and consensus values. Methods: The relative absorbed-dose energy dependence, f{sup rel}, for TLDs and the phantom correction, P{sub phant}, are calculated for {sup 125}I and {sup 103}Pd seeds using the EGSnrc BrachyDose and DOSXYZnrc codes. The original energy dependence and phantom corrections applied to DRC measurements are replaced by calculated (f{sup rel}){sup ?1} and P{sub phant} values for 24 different seed models. By comparing the modified measured DRCs to the MC values, an appropriate relative intrinsic energy dependence, k{sub bq}{sup rel}, is determined. The new P{sub phant} values and relative absorbed-dose sensitivities, S{sub AD}{sup rel}, calculated as the product of (f{sup rel}){sup ?1} and (k{sub bq}{sup rel}){sup ?1}, are used to individually revise the measured DRCs for comparison with Monte Carlo calculated values and TG-43U1 or TG-43U1S1 consensus values. Results: In general, f{sup rel} is sensitive to the energy spectra and models of the brachytherapy seeds. Values may vary up to 8.4% among {sup 125}I and {sup 103}Pd seed models and common TLD shapes. P{sub phant} values depend primarily on the isotope used. Deduced (k{sub bq}{sup rel}){sup ?1} values are 1.074 ± 0.015 and 1.084 ± 0.026 for {sup 125}I and {sup 103}Pd seeds, respectively. For (1 mm){sup 3} chips, this implies an overall absorbed-dose sensitivity relative to {sup 60}Co or 6 MV calibrations of 1.51 ± 1% and 1.47 ± 2% for {sup 125}I and {sup 103}Pd seeds, respectively, as opposed to the widely used value of 1.41. Values of P{sub phant} calculated here have much lower statistical uncertainties than literature values, but systematic uncertainties from density and composition uncertainties are significant. Using these revised values with the literature’s DRC measurements, the average discrepancies between revised measured values and Monte Carlo values are 1.2% and 0.2% for {sup 125}I and {sup 103}Pd seeds, respectively, compared to average discrepancies for the original measured values of 4.8%. On average, the revised measured values are 4.3% and 5.9% lower than the original measured values for {sup 103}Pd and {sup 125}I seeds, respectively. The average of revised DRCs and Monte Carlo values is 3.8% and 2.8% lower for {sup 125}I and {sup 103}Pd seeds, respectively, than the consensus values in TG-43U1 or TG-43U1S1. Conclusions: This work shows that f{sup rel} is TLD shape and seed model dependent suggesting a need to update the generalized energy response dependence, i.e., relative absorbed-dose sensitivity, measured 25 years ago and applied often to DRC measurements of {sup 125}I and {sup 103}Pd brachytherapy seeds. The intrinsic energy dependence for LiF TLDs deduced here is consistent with previous dosimetry studies and emphasizes the need to revise the DRC consensus values reported by TG-43U1 or TG-43U1S1.

  5. Improved aethalometer

    DOE Patents [OSTI]

    Hansen, A.D.

    1988-01-25T23:59:59.000Z

    An improved aethalometer having a single light source and a single light detector and two light paths from the light source to the light detector. A quartz fiber filter is inserted in the device, the filter having a collection area in one light path and a reference area in the other light path. A gas flow path through the aethalometer housing allows ambient air to flow through the collection area of the filter so that aerosol particles can be collected on the filter. A rotating disk with an opening therethrough allows light for the light source to pass alternately through the two light paths. The voltage output of the detector is applied to a VCO and the VCO pulses for light transmission separately through the two light paths, are counted and compared to determine the absorption coefficient of the collected aerosol particles. 5 figs.

  6. Integrating human related errors with technical errors to determine causes behind offshore accidents

    E-Print Network [OSTI]

    Aamodt, Agnar

    Integrating human related errors with technical errors to determine causes behind offshore of offshore accidents there is a continuous focus on safety improvements. An improved evaluation method concepts in the model are structured in hierarchical categories, based on well-established knowledge

  7. Intensity-modulated radiotherapy improves lymph node coverage and dose to critical structures compared with three-dimensional conformal radiation therapy in clinically localized prostate cancer

    SciTech Connect (OSTI)

    Wang-Chesebro, Alice [Radiation Oncology, University of California-San Francisco, San Francisco, CA (United States)]. E-mail: awang@radonc17.ucsf.edu; Xia Ping [Radiation Oncology, University of California-San Francisco, San Francisco, CA (United States); Coleman, Joy [Radiation Oncology, University of California-San Francisco, San Francisco, CA (United States); Akazawa, Clayton C. [Radiation Oncology, University of California-San Francisco, San Francisco, CA (United States); Roach, Mack [Radiation Oncology, University of California-San Francisco, San Francisco, CA (United States)

    2006-11-01T23:59:59.000Z

    Purpose: The aim of this study was to quantify gains in lymph node coverage and critical structure dose reduction for whole-pelvis (WP) and extended-field (EF) radiotherapy in prostate cancer using intensity-modulated radiotherapy (IMRT) compared with three-dimensional conformal radiotherapy (3DCRT) for the first treatment phase of 45 Gy in the concurrent treatment of lymph nodes and prostate. Methods and Materials: From January to August 2005, 35 patients with localized prostate cancer were treated with pelvic IMRT; 7 had nodes defined up to L5-S1 (Group 1), and 28 had nodes defined above L5-S1 (Group 2). Each patient had 2 plans retrospectively generated: 1 WP 3DCRT plan using bony landmarks, and 1 EF 3DCRT plan to cover the vascular defined volumes. Dose-volume histograms for the lymph nodes, rectum, bladder, small bowel, and penile bulb were compared by group. Results: For Group 1, WP 3DCRT missed 25% of pelvic nodes with the prescribed dose 45 Gy and missed 18% with the 95% prescribed dose 42.75 Gy, whereas WP IMRT achieved V{sub 45Gy} = 98% and V{sub 42.75Gy} = 100%. Compared with WP 3DCRT, IMRT reduced bladder V{sub 45Gy} by 78%, rectum V{sub 45Gy} by 48%, and small bowel V{sub 45Gy} by 232 cm{sup 3}. EF 3DCRT achieved 95% coverage of nodes for all patients at high cost to critical structures. For Group 2, IMRT decreased bladder V{sub 45Gy} by 90%, rectum V{sub 45Gy} by 54% and small bowel V{sub 45Gy} by 455 cm{sup 3} compared with EF 3DCRT. Conclusion: In this study WP 3DCRT missed a significant percentage of pelvic nodes. Although EF 3DCRT achieved 95% pelvic nodal coverage, it increased critical structure doses. IMRT improved pelvic nodal coverage while decreasing dose to bladder, rectum, small bowel, and penile bulb. For patients with extended node involvement, IMRT especially decreases small bowel dose.

  8. Capability Improvement

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Trinity NERSC-8 Capability Improvement Trinity NERSC-8 Capability Improvement As stated in Section 3.5 of the Technical Requirements, The performance of the ASC and NERSC...

  9. Measurement of the muon charge asymmetry in inclusive pp to WX production at sqrt(s) = 7 TeV and an improved determination of light parton distribution functions

    E-Print Network [OSTI]

    CMS Collaboration

    2014-08-22T23:59:59.000Z

    Measurements of the muon charge asymmetry in inclusive pp to WX production at sqrt(s) = 7 TeV are presented. The data sample corresponds to an integrated luminosity of 4.7 inverse femtobarns recorded with the CMS detector at the LHC. With a sample of more than twenty million W to mu nu events, the statistical precision is greatly improved in comparison to previous measurements. These new results provide additional constraints on the parton distribution functions of the proton in the range of the Bjorken scaling variable x from 10E-3 to 10E-1. These measurements and the recent CMS measurement of associated W + charm production are used together with the cross sections for inclusive deep inelastic ep scattering at HERA in a next-to-leading-order QCD analysis. The determination of the valence quark distributions is improved, and the strange-quark distribution is probed directly through the leading-order process g + s to W + c in proton-proton collisions at the LHC.

  10. Investigation of protein structure determination

    E-Print Network [OSTI]

    in the manuscript are based on my individual analysis of data acquired by the collaboration at LCLS and on my individual work before experiments at LCLS in preparation laborator

  11. FD-BPM for Optical Waveguide Structures with Second Order Accuracy An improved FD-BPM was developed which is based on the generalized transmission line(GTL) equa-

    E-Print Network [OSTI]

    Jahns, Jürgen

    FD-BPM for Optical Waveguide Structures with Second Order Accuracy R. Pregla An improved FD-BPMRHH) for discretized transverse fields E and H. This BPM is a wide angle algorithm and also full vectorial a second term on the right sides (for details see [3]). Usually, BPM algorithms are based on the wave

  12. CX-003888: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Exclusion Determination CX-003888: Categorical Exclusion Determination Improved Drilling and Fracturing Fluids for Shale Gas Reservoirs CX(s) Applied: B3.6 Date: 09102010...

  13. CX-003378: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Categorical Exclusion Determination CX-003378: Categorical Exclusion Determination Photovoltaic Solar Cell Fabrication Alkaline Texturing Process Improvement CX(s) Applied: B3.6...

  14. Crystal structure refinement with SHELXL

    SciTech Connect (OSTI)

    Sheldrick, George M., E-mail: gsheldr@shelx.uni-ac.gwdg.de [Department of Structural Chemistry, Georg-August Universität Göttingen, Tammannstraße 4, Göttingen 37077 (Germany)

    2015-01-01T23:59:59.000Z

    New features added to the refinement program SHELXL since 2008 are described and explained. The improvements in the crystal structure refinement program SHELXL have been closely coupled with the development and increasing importance of the CIF (Crystallographic Information Framework) format for validating and archiving crystal structures. An important simplification is that now only one file in CIF format (for convenience, referred to simply as ‘a CIF’) containing embedded reflection data and SHELXL instructions is needed for a complete structure archive; the program SHREDCIF can be used to extract the .hkl and .ins files required for further refinement with SHELXL. Recent developments in SHELXL facilitate refinement against neutron diffraction data, the treatment of H atoms, the determination of absolute structure, the input of partial structure factors and the refinement of twinned and disordered structures. SHELXL is available free to academics for the Windows, Linux and Mac OS X operating systems, and is particularly suitable for multiple-core processors.

  15. Aging of concrete structures in nuclear power plants

    SciTech Connect (OSTI)

    Naus, D.J.; Pland, C.B. (Oak Ridge National Lab., TN (USA)); Arndt, E.G. (Nuclear Regulatory Commission, Washington, DC (USA))

    1991-01-01T23:59:59.000Z

    The Structural Aging (SAG) Program, sponsored by the US Nuclear Regulatory Commission (USNRC) and conducted by the Oak Ridge National Laboratory (ORNL), had the overall objective of providing the USNRC with an improved basis for evaluating nuclear power plant structures for continued service. The program consists of three technical tasks: materials property data base, structural component assessment/repair technology, and quantitative methodology for continued service determinations. Major accomplishments under the SAG Program during the first two years of its planned five-year duration have included: development of a Structural Materials Information Center and formulation of a Structural Aging Assessment Methodology for Concrete Structures in Nuclear Power Plants. 9 refs.

  16. Determining the effective viscosity of a Shear Induced State Structure (SIS) surfactant, C16TMASal, during injection into a porous medium

    E-Print Network [OSTI]

    Platt, Frank Martin

    1994-01-01T23:59:59.000Z

    The purpose of this experimental study was to determine both the effective viscosity and the suitability of C16TASal for use in enhanced oil recovery. The work eventually involved the injection of a single phase fluid with various concentrations...

  17. The impact of market structure on price determination : a simulation approach using multi-agent reinforcement learning in continuous state and action space

    E-Print Network [OSTI]

    Shu, Buliao

    2014-01-01T23:59:59.000Z

    This thesis proposes a simulation tool to study the question of how market structure and market players' behavior affect price movements. The adaptive market simulation system consists of multiple agents and a centralized ...

  18. Synthesis, Improved Antisense Activity and Structural Rationale for the Divergent RNA Affinities of 3;#8242;-Fluoro Hexitol Nucleic Acid (FHNA and Ara-FHNA) Modified Oligonucleotides

    SciTech Connect (OSTI)

    Egli, Martin; Pallan, Pradeep S.; Allerson, Charles R.; Prakash, Thazha P.; Berdeja, Andres; Yu, Jinghua; Lee, Sam; Watt, Andrew; Gaus, Hans; Bhat, Balkrishen; Swayze, Eric E.; Seth, Punit P. (Isis Pharm.); (Vanderbilt)

    2012-03-16T23:59:59.000Z

    The synthesis, biophysical, structural, and biological properties of both isomers of 3'-fluoro hexitol nucleic acid (FHNA and Ara-FHNA) modified oligonucleotides are reported. Synthesis of the FHNA and Ara-FHNA thymine phosphoramidites was efficiently accomplished starting from known sugar precursors. Optimal RNA affinities were observed with a 3'-fluorine atom and nucleobase in a trans-diaxial orientation. The Ara-FHNA analog with an equatorial fluorine was found to be destabilizing. However, the magnitude of destabilization was sequence-dependent. Thus, the loss of stability is sharply reduced when Ara-FHNA residues were inserted at pyrimidine-purine (Py-Pu) steps compared to placement within a stretch of pyrimidines (Py-Py). Crystal structures of A-type DNA duplexes modified with either monomer provide a rationalization for the opposing stability effects and point to a steric origin of the destabilization caused by the Ara-FHNA analog. The sequence dependent effect can be explained by the formation of an internucleotide C-F {hor_ellipsis} H-C pseudo hydrogen bond between F3' of Ara-FHNA and C8-H of the nucleobase from the 3'-adjacent adenosine that is absent at Py-Py steps. In animal experiments, FHNA-modified antisense oligonucleotides formulated in saline showed a potent downregulation of gene expression in liver tissue without producing hepatotoxicity. Our data establish FHNA as a useful modification for antisense therapeutics and also confirm the stabilizing influence of F(Py) {hor_ellipsis} H-C(Pu) pseudo hydrogen bonds in nucleic acid structures.

  19. Novel Application of X-ray Computed Tomography: Determination of Gas/Liquid Contact Area and Liquid Holdup in Structured Packing

    E-Print Network [OSTI]

    Eldridge, R. Bruce

    Novel Application of X-ray Computed Tomography: Determination of Gas/Liquid Contact Area and Liquid Company, 1 Neumann Way-M/D Q8, Cincinnati, Ohio 45215 X-ray computed tomography (CT) was utilized Principles of X-ray Computed Tomography. X-ray computed tomography (CT) is used to noninvasively

  20. Precise Determination of the Deuteron Spin Structure at Low to Moderate $Q^2$ with CLAS and Extraction of the Neutron Contribution

    E-Print Network [OSTI]

    N. Guler; R. G. Fersch; S. E. Kuhn; P. Bosted; K. A. Griffioen; C. Keith; R. Minehart; Y. Prok; K. P. Adhikari; D. Adikaram; M. J. Amaryan; M. D. Anderson; S. Anefalos Pereira; J. Ball; M. Battaglieri; V. Batourine; I. Bedlinskiy; W. J. Briscoe; W. K. Brooks; S. Bultmann; V. D. Burkert; D. S. Carman; A. Celentano; S. Chandavar; G. Charles; L. Colaneri; P. L. Cole; M. Contalbrigo; D. Crabb; V. Crede; A. D Angelo; N. Dashyan; A. Deur; C. Djalali; G. E. Dodge; R. Dupre; A. El Alaoui; L. El Fassi; L. Elouadrhiri; P. Eugenio; G. Fedotov; S. Fegan; A. Filippi; J. A. Fleming; T. A. Forest; B. Garillon; M. Garcon; N. Gevorgyan; G. P. Gilfoyle; K. L. Giovanetti; F. X. Girod; J. T. Goetz; E. Golovatch; R. W. Gothe; M. Guidal; L. Guo; K. Hafidi; H. Hakobyan; N. Harrison; M. Hattawy; K. Hicks; D. Ho; M. Holtrop; S. M. Hughes; C. E. Hyde; D. G. Ireland; B. S. Ishkhanov; E. L. Isupov; H. S. Jo; K. Joo; S. Joosten; D. Keller; M. Khandaker; A. Kim; W. Kim; A. Klein; F. J. Klein; V. Kubarovsky; S. V. Kuleshov; K. Livingston; H. Y. Lu; I. J. D. MacGregor; B. McKinnon; M. Mirazita; V. Mokeev; R. A. Montgomery; A Movsisyan; C. Munoz Camacho; P. Nadel-Turonski; L. A. Net; I. Niculescu; M. Osipenko; A. I. Ostrovidov; K. Park; E. Pasyuk; S. Pisano; O. Pogorelko; J. W. Price; S. Procureur; M. Ripani; A. Rizzo; G. Rosner; P. Rossi; P. Roy; F. Sabatie; C. Salgado; D. Schott; R. A. Schumacher; E. Seder; A. Simonyan; Iu. Skorodumina; D. Sokhan; N. Sparveris; I. I. Strakovsky; S. Strauch; V. Sytnik; Ye Tian; S. Tkachenko; M. Ungaro; E. Voutier; N. K. Walford; X. Wei; L. B. Weinstein; M. H. Wood; N. Zachariou; L. Zana; J. Zhang; Z. W. Zhao; I. Zonta

    2015-06-01T23:59:59.000Z

    We present the final results for the deuteron spin structure functions obtained from the full data set collected with Jefferson Lab's CLAS in 2000-2001. Polarized electrons with energies of 1.6, 2.5, 4.2 and 5.8 GeV were scattered from deuteron ($^{15}$ND$_3$) targets, dynamically polarized along the beam direction, and detected with CLAS. From the measured double spin asymmetry, the virtual photon absorption asymmetry $A_1^d$ and the polarized structure function $g_1^d$ were extracted over a wide kinematic range (0.05 GeV$^2 < Q^2 <$ 5 GeV$^2$ and 0.9 GeV $< W <$ 3 GeV). We use an unfolding procedure and a parametrization of the corresponding proton results to extract from these data the polarized structure functions $A_1^n$ and $g_1^n$ of the (bound) neutron, which are so far unknown in the resonance region, $W < 2$ GeV. We compare our final results, including several moments of the deuteron and neutron spin structure functions, with various theoretical models and expectations as well as parametrizations of the world data. The unprecedented precision and dense kinematic coverage of these data can aid in future extractions of polarized parton distributions, tests of perturbative QCD predictions for the quark polarization at large $x$, a better understanding of quark-hadron duality, and more precise values for higher-twist matrix elements in the framework of the Operator Product Expansion.

  1. Corps Improvement 

    E-Print Network [OSTI]

    Wythe, Kathy

    2007-01-01T23:59:59.000Z

    in the Upper Trinity River Basin was mainly from findings in a Corps environmental impact statement (EIS) report in the 1980s, according to Gene Rice, Corps project manager of the Dallas Floodway and Dallas Floodway Extension projects, two of the Trinity River... to mitigate environmental impacts of the proj- ect. The Corps? Fort Worth District and the City of Dallas are using an innovative approach to return floodplain value to the Trinity River, while improving flood damage reduction. Big Fossil Creek Watershed...

  2. Development of improved processing and evaluation methods for high reliability structural ceramics for advanced heat engine applications Phase II. Final report

    SciTech Connect (OSTI)

    Pujari, V.J.; Tracey, D.M.; Foley, M.R. [and others

    1996-02-01T23:59:59.000Z

    The research program had as goals the development and demonstration of significant improvements in processing methods, process controls, and nondestructive evaluation (NDE) which can be commercially implemented to produce high reliability silicon nitride components for advanced heat engine applications at temperatures to 1370{degrees}C. In Phase I of the program a process was developed that resulted in a silicon nitride - 4 w% yttria HIP`ed material (NCX 5102) that displayed unprecedented strength and reliability. An average tensile strength of 1 GPa and a strength distribution following a 3-parameter Weibull distribution were demonstrated by testing several hundred buttonhead tensile specimens. The Phase II program focused on the development of methodology for colloidal consolidation producing green microstructure which minimizes downstream process problems such as drying, shrinkage, cracking, and part distortion during densification. Furthermore, the program focused on the extension of the process to gas pressure sinterable (GPS) compositions. Excellent results were obtained for the HIP composition processed for minimal density gradients, both with respect to room-temperature strength and high-temperature creep resistance. Complex component fabricability of this material was demonstrated by producing engine-vane prototypes. Strength data for the GPS material (NCX-5400) suggest that it ranks very high relative to other silicon nitride materials in terms of tensile/flexure strength ratio, a measure of volume quality. This high quality was derived from the closed-loop colloidal process employed in the program.

  3. Synthesis and X-ray crystal structure determination of N-p-methylphenyl-4-benzoyl-3,4-diphenyl-2-azetidinone

    SciTech Connect (OSTI)

    Kabak, Mehmet, E-mail: kabak@eng.ankara.edu.tr [University of Ankara, Department of Engineering Physics, Faculty of Engineering (Turkey); Senoez, Huelya [Hacettepe University, Faculty of Sciences, Department of Chemistry (Turkey); Elmali, Ayhan [University of Ankara, Department of Engineering Physics, Faculty of Engineering (Turkey); Adar, Vildan [Hacettepe University, Faculty of Sciences, Department of Chemistry (Turkey); Svoboda, Ingrid [Darmstadt University of Technology, Institute of Material Science (Germany); Dusek, Michal; Fejfarova, Karla [Institute of Physics (Czech Republic)

    2010-12-15T23:59:59.000Z

    The title compound, C{sub 29}H{sub 23}NO{sub 2}, has been characterized by single-crystal X-ray diffraction at two different temperatures (303 K and 120 K) and wavelengths (MoK{sub {alpha}} and CuK{sub {alpha}}). The non-centrosymmetric hexagonal crystal structure contains four-membered planar {beta}-lactam ring with an unusually long C-C bond. The {beta}-lactam ring is almost planar.

  4. Power systems and requirements for integration of smart structures into aircraft

    E-Print Network [OSTI]

    Lindner, Douglas K.

    Power systems and requirements for integration of smart structures into aircraft Allen J. Lockyer performance improvement, however, integration system impacts have yet to be determined or quantified. Power systems to support smart structures initiatives are the focus of the current paper. The paper has been

  5. Development of improved processing and evaluation methods for high reliability structural ceramics for advanced heat engine applications, Phase 1. Final report

    SciTech Connect (OSTI)

    Pujari, V.K.; Tracey, D.M.; Foley, M.R.; Paille, N.I.; Pelletier, P.J.; Sales, L.C.; Wilkens, C.A.; Yeckley, R.L. [Norton Co., Northboro, MA (United States)

    1993-08-01T23:59:59.000Z

    The program goals were to develop and demonstrate significant improvements in processing methods, process controls and non-destructive evaluation (NDE) which can be commercially implemented to produce high reliability silicon nitride components for advanced heat engine applications at temperatures to 1,370{degrees}C. The program focused on a Si{sub 3}N{sub 4}-4% Y{sub 2}O{sub 3} high temperature ceramic composition and hot-isostatic-pressing as the method of densification. Stage I had as major objectives: (1) comparing injection molding and colloidal consolidation process routes, and selecting one route for subsequent optimization, (2) comparing the performance of water milled and alcohol milled powder and selecting one on the basis of performance data, and (3) adapting several NDE methods to the needs of ceramic processing. The NDE methods considered were microfocus X-ray radiography, computed tomography, ultrasonics, NMR imaging, NMR spectroscopy, fluorescent liquid dye penetrant and X-ray diffraction residual stress analysis. The colloidal consolidation process route was selected and approved as the forming technique for the remainder of the program. The material produced by the final Stage II optimized process has been given the designation NCX 5102 silicon nitride. According to plan, a large number of specimens were produced and tested during Stage III to establish a statistically robust room temperature tensile strength database for this material. Highlights of the Stage III process demonstration and resultant database are included in the main text of the report, along with a synopsis of the NCX-5102 aqueous based colloidal process. The R and D accomplishments for Stage I are discussed in Appendices 1--4, while the tensile strength-fractography database for the Stage III NCX-5102 process demonstration is provided in Appendix 5. 4 refs., 108 figs., 23 tabs.

  6. Corps Improvement

    E-Print Network [OSTI]

    Wythe, Kathy

    2007-01-01T23:59:59.000Z

    tx H 2 O | pg. 6 O ne of the key federal players in the restoration of the Trinity River Basin is the U.S. Army Corps of Engineers, whose primary civil mission is developing and managing the nation?s water resources, including projects to reduce... flood damage; improve navigation channels and harbors; protect wetlands; and preserve, safeguard and enhance the environment. The Corps has been involved in the Trinity River Basin for more than 50 years, but the impetus for the current projects...

  7. Global Structure of a Three-Way Junction in a Phi29 Packaging RNA Dimer Determined Using Site-Directed Spin Labeling

    SciTech Connect (OSTI)

    Zhang, Xiaojun; Tung, Chang-Shung; Sowa, Glenna; Hatmal, Ma'mon M.; Haworth, Ian S.; Qin, Peter Z.

    2012-02-08T23:59:59.000Z

    The condensation of bacteriophage phi29 genomic DNA into its preformed procapsid requires the DNA packaging motor, which is the strongest known biological motor. The packaging motor is an intricate ring-shaped protein/RNA complex, and its function requires an RNA component called packaging RNA (pRNA). Current structural information on pRNA is limited, which hinders studies of motor function. Here, we used site-directed spin labeling to map the conformation of a pRNA three-way junction that bridges binding sites for the motor ATPase and the procapsid. The studies were carried out on a pRNA dimer, which is the simplest ring-shaped pRNA complex and serves as a functional intermediate during motor assembly. Using a nucleotide-independent labeling scheme, stable nitroxide radicals were attached to eight specific pRNA sites without perturbing RNA folding and dimer formation, and a total of 17 internitroxide distances spanning the three-way junction were measured using Double Electron-Electron Resonance spectroscopy. The measured distances, together with steric chemical constraints, were used to select 3662 viable three-way junction models from a pool of 65 billion. The results reveal a similar conformation among the viable models, with two of the helices (HT and HL) adopting an acute bend. This is in contrast to a recently reported pRNA tetramer crystal structure, in which HT and HL stack onto each other linearly. The studies establish a new method for mapping global structures of complex RNA molecules, and provide information on pRNA conformation that aids investigations of phi29 packaging motor and developments of pRNA-based nanomedicine and nanomaterial.

  8. CX-007941: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Categorical Exclusion Determination Zonal Isolation Improvement for Horizontal Wells Drilling in the Marcellus Shale CX(s) Applied: A9 Date: 02152012 Location(s): Texas...

  9. CX-007940: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Categorical Exclusion Determination Zonal Isolation Improvement for Horizontal Wells Drilling in the Marcellus Shale CX(s) Applied: B3.6 Date: 02152012 Location(s): Texas...

  10. CX-000907: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Determination Improved Design Tools for Surface Water and Standing Column Well Heat Pump Systems CX(s) Applied: A9 Date: 02242010 Location(s): Stillwater, Oklahoma...

  11. Improved crystallographic models through iterated local density-guided model deformation and reciprocal-space refinement

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Read, Randy J. [University of Cambridge, Cambridge CB2 0XY (United Kingdom); Adams, Paul D. [Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720 (United States); Brunger, Axel T. [Stanford University, 318 Campus Drive West, Stanford, CA 94305-5432 (United States); Afonine, Pavel V.; Grosse-Kunstleve, Ralf W. [Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720 (United States); Hung, Li-Wei [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2012-07-01T23:59:59.000Z

    A density-based procedure is described for improving a homology model that is locally accurate but differs globally. The model is deformed to match the map and refined, yielding an improved starting point for density modification and further model-building. An approach is presented for addressing the challenge of model rebuilding after molecular replacement in cases where the placed template is very different from the structure to be determined. The approach takes advantage of the observation that a template and target structure may have local structures that can be superimposed much more closely than can their complete structures. A density-guided procedure for deformation of a properly placed template is introduced. A shift in the coordinates of each residue in the structure is calculated based on optimizing the match of model density within a 6 Å radius of the center of that residue with a prime-and-switch electron-density map. The shifts are smoothed and applied to the atoms in each residue, leading to local deformation of the template that improves the match of map and model. The model is then refined to improve the geometry and the fit of model to the structure-factor data. A new map is then calculated and the process is repeated until convergence. The procedure can extend the routine applicability of automated molecular replacement, model building and refinement to search models with over 2 Å r.m.s.d. representing 65–100% of the structure.

  12. Sco X-1 and Cyg X-1: Determination of Strength and Structure of Magnetic Field in the Nearest Environment of Accreting Compact Stars

    E-Print Network [OSTI]

    Yu. N. Gnedin; N. A. Silant'ev; L. G. Titarchuk

    2002-07-30T23:59:59.000Z

    We estimated the magnetic field strength of compact stars in X-ray binaries Sco X-1 and Cyg X-1, via various methods of determination of magnetic fields. For Sco X-1 we used three independent methods. One of them is based on the correct account of the Faraday rotation of polarization plane in the process of electron scattering of X-rays from accreting neutron stars. Numerical calculations are made with use of first X-rays polarimetric data presented by Long et al. (1979). Other original method of determing the magnetic field developed by Titarchuk at al. (2001) is based on observed quasi-periodic oscillations (QPO) frequencies in X-ray binaries that can be considered as magnetoacoustic oscillations of boundary layer near a neutron star. The optical polarimetric data obtained in 70-th have been also used for estimation of magnetic field of the neutron star in Sco X-1 and of nearest environment around the black hole in Cyg X-1.

  13. Evolution of Substrate Specificity within a Diverse Family of [beta/alpha]-Barrel-fold Basic Amino Acid Decarboxylases X-ray Structure Determination of Enzymes with Specificity for L-Arginine and Carboxynorspermidine

    SciTech Connect (OSTI)

    Deng, Xiaoyi; Lee, Jeongmi; Michael, Anthony J.; Tomchick, Diana R.; Goldsmith, Elizabeth J.; Phillips, Margaret A. (Sungkyunkwan); (UTSMC)

    2010-08-26T23:59:59.000Z

    Pyridoxal 5{prime}-phosphate (PLP)-dependent basic amino acid decarboxylases from the {beta}/{alpha}-barrel-fold class (group IV) exist in most organisms and catalyze the decarboxylation of diverse substrates, essential for polyamine and lysine biosynthesis. Herein we describe the first x-ray structure determination of bacterial biosynthetic arginine decarboxylase (ADC) and carboxynorspermidine decarboxylase (CANSDC) to 2.3- and 2.0-{angstrom} resolution, solved as product complexes with agmatine and norspermidine. Despite low overall sequence identity, the monomeric and dimeric structures are similar to other enzymes in the family, with the active sites formed between the {beta}/{alpha}-barrel domain of one subunit and the {beta}-barrel of the other. ADC contains both a unique interdomain insertion (4-helical bundle) and a C-terminal extension (3-helical bundle) and it packs as a tetramer in the asymmetric unit with the insertions forming part of the dimer and tetramer interfaces. Analytical ultracentrifugation studies confirmed that the ADC solution structure is a tetramer. Specificity for different basic amino acids appears to arise primarily from changes in the position of, and amino acid replacements in, a helix in the {beta}-barrel domain we refer to as the 'specificity helix.' Additionally, in CANSDC a key acidic residue that interacts with the distal amino group of other substrates is replaced by Leu{sup 314}, which interacts with the aliphatic portion of norspermidine. Neither product, agmatine in ADC nor norspermidine in CANSDC, form a Schiff base to pyridoxal 5{prime}-phosphate, suggesting that the product complexes may promote product release by slowing the back reaction. These studies provide insight into the structural basis for the evolution of novel function within a common structural-fold.

  14. Neutron reflecting supermirror structure

    DOE Patents [OSTI]

    Wood, James L. (Drayton Plains, MI)

    1992-01-01T23:59:59.000Z

    An improved neutron reflecting supermirror structure comprising a plurality of stacked sets of bilayers of neutron reflecting materials. The improved neutron reflecting supermirror structure is adapted to provide extremely good performance at high incidence angles, i.e. up to four time the critical angle of standard neutron mirror structures. The reflection of neutrons striking the supermirror structure at a high critical angle provides enhanced neutron throughput, and hence more efficient and economical use of neutron sources.

  15. Neutron reflecting supermirror structure

    DOE Patents [OSTI]

    Wood, J.L.

    1992-12-01T23:59:59.000Z

    An improved neutron reflecting supermirror structure comprising a plurality of stacked sets of bilayers of neutron reflecting materials. The improved neutron reflecting supermirror structure is adapted to provide extremely good performance at high incidence angles, i.e. up to four time the critical angle of standard neutron mirror structures. The reflection of neutrons striking the supermirror structure at a high critical angle provides enhanced neutron throughput, and hence more efficient and economical use of neutron sources. 2 figs.

  16. Fiber felts as low density structural materials

    SciTech Connect (OSTI)

    Milewski, J.V.; Newfield, S.E.

    1981-01-01T23:59:59.000Z

    Short fiber felts structures can be made which provide improvements in properties over foams. In applications where resistance to compression set or stress relaxation are important, bonded fiber felts excel due to the flexing of individual fibers within their elastic limit. Felts of stainless steel and polyester fibers were prepared by deposition from liquid slurries. Compressive properties were determined as a function of felt parent material, extent of bonding, felt density, and length-to-diameter (L/D) ratio of starting fibers.

  17. Determining Reactor Neutrino Flux

    E-Print Network [OSTI]

    Jun Cao

    2012-03-08T23:59:59.000Z

    Flux is an important source of uncertainties for a reactor neutrino experiment. It is determined from thermal power measurements, reactor core simulation, and knowledge of neutrino spectra of fuel isotopes. Past reactor neutrino experiments have determined the flux to (2-3)% precision. Precision measurements of mixing angle $\\theta_{13}$ by reactor neutrino experiments in the coming years will use near-far detector configurations. Most uncertainties from reactor will be canceled out. Understanding of the correlation of uncertainties is required for $\\theta_{13}$ experiments. Precise determination of reactor neutrino flux will also improve the sensitivity of the non-proliferation monitoring and future reactor experiments. We will discuss the flux calculation and recent progresses.

  18. The use of structural information to improve

    E-Print Network [OSTI]

    Kågström, Bo

    Tångrot Licentiate Thesis UMINF-03.19 Submitted for the partial fulfillment of the requirements for the degree of Licentiate in Technology. Department of Computing Science Umeå Center for Molecular

  19. Improving the accuracy of macromolecular structure refinement

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) EnvironmentalGyroSolé(tm)HydrogenRFP » Important TrinityEnergy the Way

  20. Improving School Governance | 1 Improving School Governance

    E-Print Network [OSTI]

    Rambaut, Andrew

    Improving School Governance | 1 Improving School Governance A Recommended Code of Governance for Schools: A flexible framework for strategic planning October 2012 Pilot version 1 #12;Improving School Governance | 2 #12;Improving School Governance | 3 This pilot version of the Recommended Code of Governance

  1. Structure and yarn sensor for fabric

    DOE Patents [OSTI]

    Mee, David K. (Knoxville, TN); Allgood, Glenn O. (Powell, TN); Mooney, Larry R. (Knoxville, TN); Duncan, Michael G. (Clinton, TN); Turner, John C. (Clinton, TN); Treece, Dale A. (Knoxville, TN)

    1998-01-01T23:59:59.000Z

    A structure and yarn sensor for fabric directly determines pick density in a fabric thereby allowing fabric length and velocity to be calculated from a count of the picks made by the sensor over known time intervals. The structure and yarn sensor is also capable of detecting full length woven defects and fabric. As a result, an inexpensive on-line pick (or course) density measurement can be performed which allows a loom or knitting machine to be adjusted by either manual or automatic means to maintain closer fiber density tolerances. Such a sensor apparatus dramatically reduces fabric production costs and significantly improves fabric consistency and quality for woven or knitted fabric.

  2. Photonic Crystal Laser-Driven Accelerator Structures

    SciTech Connect (OSTI)

    Cowan, Benjamin M.

    2007-08-22T23:59:59.000Z

    Laser-driven acceleration holds great promise for significantly improving accelerating gradient. However, scaling the conventional process of structure-based acceleration in vacuum down to optical wavelengths requires a substantially different kind of structure. We require an optical waveguide that (1) is constructed out of dielectric materials, (2) has transverse size on the order of a wavelength, and (3) supports a mode with speed-of-light phase velocity in vacuum. Photonic crystals---structures whose electromagnetic properties are spatially periodic---can meet these requirements. We discuss simulated photonic crystal accelerator structures and describe their properties. We begin with a class of two-dimensional structures which serves to illustrate the design considerations and trade-offs involved. We then present a three-dimensional structure, and describe its performance in terms of accelerating gradient and efficiency. We discuss particle beam dynamics in this structure, demonstrating a method for keeping a beam confined to the waveguide. We also discuss material and fabrication considerations. Since accelerating gradient is limited by optical damage to the structure, the damage threshold of the dielectric is a critical parameter. We experimentally measure the damage threshold of silicon for picosecond pulses in the infrared, and determine that our structure is capable of sustaining an accelerating gradient of 300 MV/m at 1550 nm. Finally, we discuss possibilities for manufacturing these structures using common microfabrication techniques.

  3. Atmospheric structure determined from satellite data

    E-Print Network [OSTI]

    Knight, Keith Shelburne

    1978-01-01T23:59:59.000Z

    , and the cross section over the Canada region 12 Synoptic conditions and locations of grid points, soundings, and the cross section over the western United States region. 13 Profiles of the average difference and standard deviation of the differences... and 500 mb over the Canada region. 47 Charts of dew-point temperatvre and dew point difference ( C) at 850 and 700 mb over the Cariobean region. . . . . . . . . . . . . . ~ 49 Charts of dew-point temperature and dew point difference (vC) at 500 mb...

  4. Structural determinants of Mexican American intermarriage

    E-Print Network [OSTI]

    Anderson, Robert Niel

    1992-01-01T23:59:59.000Z

    (the distribution of population members among various sustenance activities), it is easily adapted to measure the distribution of 17 persons among status categories in a population. The M6 is superior to other measures of diversity such as the M1... (7500) Stockton (8120) Vallejo-Fairfield-Napa (8720) Visalia-Tulare-Porterville (8780) Yuba City (9340) Colorado Springs (1720) Denver-Boulder (2080) Fort Collins (2670) Greeley (3060) Pueblo (6560) Mean Standard Deviation State AZ AZ CA...

  5. Structural determinants of Mexican American intermarriage 

    E-Print Network [OSTI]

    Anderson, Robert Niel

    1992-01-01T23:59:59.000Z

    . 1986. "Patterns of ethnic marriage in the United States. " Social Forces 65:202-223. Arce, Carlos H. , and Armando Abney-Guardado. 1982. "Demographic and cultural correlates of Chicano intermarriage. " California Sociologist 5:41-57. Bean, Frank D...

  6. The structural determinants of media contagion

    E-Print Network [OSTI]

    Marlow, Cameron Alexander, 1977-

    2005-01-01T23:59:59.000Z

    Informal exchanges between friends, family and acquaintances play a crucial role in the dissemination of news and opinion. These casual interactions are embedded in a network of communication that spans our society, allowing ...

  7. Light Steel Framing: Improving the Integral Design 

    E-Print Network [OSTI]

    Amundarain, Aitor; Torero, Jose L; Usmani, Asif; Al-Remal, Ahmad M

    2006-09-11T23:59:59.000Z

    Light Steel Framing has been extensively used in cold climate countries due to its good thermal and structural behaviour. Improved thermal behaviour results in positive environmental impact essential for sustainable ...

  8. Improved recovery demonstration for Williston Basin carbonates. Annual report, June 10, 1995--June 9, 1996

    SciTech Connect (OSTI)

    Carrell, L.A.; Sippel, M.A.

    1996-09-01T23:59:59.000Z

    The purpose of this project is to demonstrate targeted infill and extension drilling opportunities, better determinations of oil-in-place, methods for improved completion efficiency and the suitability of waterflooding in Red River and Ratcliffe shallow-shelf carbonate reservoirs in the Williston Basin, Montana, North Dakota and South Dakota. Improved reservoir characterization utilizing three-dimensional and multi-component seismic are being investigated for identification of structural and stratigraphic reservoir compartments. These seismic characterization tools are integrated with geological and engineering studies. Improved completion efficiency is being tested with extended-reach jetting lance and other ultra-short-radius lateral technologies. Improved completion efficiency, additional wells at closer spacing and better estimates of oil in place will result in additional oil recovery by primary and enhanced recovery processes.

  9. Improved recovery demonstration for Williston basin carbonates. Annual report, June 10, 1994--June 9, 1995

    SciTech Connect (OSTI)

    Sippel, M.; Zinke, S.; Magruder, G.; Eby, D.

    1995-09-01T23:59:59.000Z

    The purpose of this project is to demonstrate targeted infill and extension drilling opportunities, better determinations of oil-in-place, methods for improved completion efficiency and the suitability of waterflooding in Red River and Ratcliffe shallow-shelf carbonate reservoirs in the Williston Basin, Montana, North Dakota and South Dakota. Improved reservoir characterization utilizing three-dimensional and multi-component seismic are being investigated for identification of structural and stratigraphic reservoir compartments. These seismic characterization tools are integrated with geological and engineering studies. Improved completion efficiency is being tested with extended-reach jetting lance and other ultra-short-radius lateral technologies. Improved completion efficiency, additional wells at closer spacing and better estimates of oil in place will result in additional oil recovery by primary and enhanced recovery processes.

  10. Team Assembly Mechanisms Determine Collaboration Network

    E-Print Network [OSTI]

    Kuzmanovic, Aleksandar

    Team Assembly Mechanisms Determine Collaboration Network Structure and Team Performance Roger the mechanisms by which creative teams self-assemble determine the structure of these collaboration networks. We propose a model for the self-assembly of creative teams that has its basis in three parameters: team size

  11. Determining benefits and costs of improved central air conditioner efficiencies

    E-Print Network [OSTI]

    Rosenquist, G.

    2010-01-01T23:59:59.000Z

    Administration, Annual Energy Outlook 2000, December, 1999.trends from EIA's Annual Energy Outlook 2000 (AE02000) were

  12. Improving the Performance of the Winner Determination Process

    E-Print Network [OSTI]

    Ketter, Wolfgang

    # Alexander Babanov Department of Computer Science and Engineering Department of Economics University of Minnesota babanov@cs.umn.edu Wolfgang Ketter Department of Computer Science and Engineering University of Minnesota ketter@cs.umn.edu February 8, 2004 # This work was conducted in and as a part of the MAGNET

  13. Improving the Performance of the Winner Determination Process

    E-Print Network [OSTI]

    Ketter, Wolfgang

    Babanov Department of Computer Science and Engineering Department of Economics University of Minnesota babanov@cs.umn.edu Wolfgang Ketter Department of Computer Science and Engineering University of Minnesota ketter@cs.umn.edu February 8, 2004 This work was conducted in and as a part of the MAGNET framework

  14. Determining benefits and costs of improved central air conditioner efficiencies

    SciTech Connect (OSTI)

    Rosenquist, G.; Levok, A.; Chan, P.; McMahon, J.

    2001-01-12T23:59:59.000Z

    Economic impacts on individual consumers from possible revisions to U.S. residential-type central air conditioner energy-efficiency standards are examined using a life-cycle cost (LCC) analysis. LCC is the consumer's cost of purchasing and installing a central air conditioner and operating it over its lifetime. This approach makes it possible to evaluate the economic impacts on individual consumers from the revised standards. The methodology allows an examination of groups of the population which benefit or lose from suggested efficiency standards. The results show that the economic benefits to consumers due to modest increases in efficiency are significant. For an efficiency increase of 20percent over the existing minimum standard (i.e., 12 SEER), 35percent of households with central air conditioners experience significant LCC savings, with an average savings of $453, while 25percent show significant LCC losses, with an average loss of $158 compared to apre-standard LCC average of $5,170. The remainder of the population (40percent) are largely unaffected.

  15. Determining benefits and costs of improved central air conditioner efficiencies

    E-Print Network [OSTI]

    Rosenquist, G.

    2010-01-01T23:59:59.000Z

    of Energy-Energy Information Administration, A Look atof Energy-Energy Information Administration, 1995 Commercialof Energy-Energy Information Administration, Annual Energy

  16. Towards improved methods for determining porous media multiphase flow functions

    E-Print Network [OSTI]

    Xue, Song

    2004-09-30T23:59:59.000Z

    to the empirical relation by using the three-dimensional saturation and relaxation data. 7 CHAPTER II ESTIMATION OF POROUS MEDIA FLOW FUNCTIONS Multiphase flow functions are required to simulate the flow of multiple fluid phases through porous media....3) Snw + Sw = 1: (2.4) Together with boundary and initial conditions, Eqs. (2.1)-(2.4) provide a mathemat- ical model of three-dimensional, two-phase fluid flow in porous media. Several properties have to be specified in the above model. The densities...

  17. Determining benefits and costs of improved central air conditioner efficiencies

    E-Print Network [OSTI]

    Rosenquist, G.

    2010-01-01T23:59:59.000Z

    Engineers, Inc. , Energy Efficient Design of New BuildingsStandard 90.1, Energy Efficient Design of New Buildings

  18. Determining benefits and costs of improved central air conditioner efficiencies

    E-Print Network [OSTI]

    Rosenquist, G.

    2010-01-01T23:59:59.000Z

    analyze, the energy price projection, and the start year (uncertainty of projections offuture energy prices, the LCC

  19. CX-008914: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Categorical Exclusion Determination Zonal Isolation Improvement for Horizontal Wells Drilling in the Marcellus Shale CX(s) Applied: A9, B3.6 Date: 08292012 Location(s):...

  20. CX-008518: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Categorical Exclusion Determination Zonal Isolation Improvement for Horizontal Wells Drilling in the Marcellus Shale CX(s) Applied: A9, A11, B3.6 Date: 07122012 Location(s):...

  1. Neutron reflecting supermirror structure

    DOE Patents [OSTI]

    Wood, James L. (Drayton Plains, MI)

    1992-01-01T23:59:59.000Z

    An improved neutron reflecting supermirror structure comprising a plurality of stacked sets of bilayers of neutron reflecting materials. The improved neutron reflecting supermirror structure is adapted to provide extremely good performance at high incidence angles, i.e. up to four time the critical angle of standard neutron mirror structures. The reflection of neutrons striking the supermirror structure at a high critical angle provides enhanced neutron throughput, and hence more efficient and economical use of neutron sources. One layer of each set of bilayers consist of titanium, and the second layer of each set of bilayers consist of an alloy of nickel with carbon interstitially present in the nickel alloy.

  2. Determining the Bayesian optimal sampling strategy in a hierarchical system.

    SciTech Connect (OSTI)

    Grace, Matthew D.; Ringland, James T.; Boggs, Paul T.; Pebay, Philippe Pierre

    2010-09-01T23:59:59.000Z

    Consider a classic hierarchy tree as a basic model of a 'system-of-systems' network, where each node represents a component system (which may itself consist of a set of sub-systems). For this general composite system, we present a technique for computing the optimal testing strategy, which is based on Bayesian decision analysis. In previous work, we developed a Bayesian approach for computing the distribution of the reliability of a system-of-systems structure that uses test data and prior information. This allows for the determination of both an estimate of the reliability and a quantification of confidence in the estimate. Improving the accuracy of the reliability estimate and increasing the corresponding confidence require the collection of additional data. However, testing all possible sub-systems may not be cost-effective, feasible, or even necessary to achieve an improvement in the reliability estimate. To address this sampling issue, we formulate a Bayesian methodology that systematically determines the optimal sampling strategy under specified constraints and costs that will maximally improve the reliability estimate of the composite system, e.g., by reducing the variance of the reliability distribution. This methodology involves calculating the 'Bayes risk of a decision rule' for each available sampling strategy, where risk quantifies the relative effect that each sampling strategy could have on the reliability estimate. A general numerical algorithm is developed and tested using an example multicomponent system. The results show that the procedure scales linearly with the number of components available for testing.

  3. Improved gas sensing and dielectric properties of Fe doped hydroxyapatite thick films: Effect of molar concentrations

    SciTech Connect (OSTI)

    Mene, Ravindra U. [PDEA's, Annasaheb Waghire College of Science, Arts and Commerce, Otur 412409, M.S. (India); School of Physical Sciences, Swami Ramanand Teerth Marathwada University, Nanded 431606, M.S. (India); Mahabole, Megha P. [School of Physical Sciences, Swami Ramanand Teerth Marathwada University, Nanded 431606, M.S. (India); Mohite, K.C. [Haribhai. V. Desai College, Pune 411002, M.S. (India); Khairnar, Rajendra S., E-mail: rskhairnarsps@gmail.com [School of Physical Sciences, Swami Ramanand Teerth Marathwada University, Nanded 431606, M.S. (India)

    2014-02-01T23:59:59.000Z

    Highlights: • We report improved gas sensing and dielectric characteristics of Fe ion exchanged HAp films. • Fe doped HAp film shows maximum gas response at relatively lower temperature. • Response and gas uptake capacity of sensors is improved for appropriate amount of Fe ions in HAp matrix. • Fe-HAp films exhibit remarkable improvement in dielectric properties compared to pure HAp. • Fe doped HAp films show significant improvement in gas sensing as well as in dielectric properties. - Abstract: In the present work Fe doped hydroxyapatite (Fe-HAp) thick films has been successfully utilized to improve the gas sensing as well as its dielectric properties. Initially, HAp nano powder is synthesized by chemical precipitation process and later on Fe ions are doped in HAp by ion exchange process. Structural and morphological modifications are observed by means of X-ray diffraction and scanning electron microscopy analysis. The sensing parameters such as operating temperature, response/recovery time and gas uptake capacity are experimentally determined. The Fe-HAp (0.05 M) film shows improved CO and CO{sub 2} gas sensing capacity at lower operating temperature compared to pure HAp. Moreover, variation of dielectric constant and dielectric loss for pure and Fe-HAp thick films are studied as a function of frequency in the range of 10 Hz–1 MHz. The study reveals that Fe doped HAp thick films improve the sensing and dielectric characteristics as compared to pure HAp.

  4. CX-008738: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Determination of Microstructure and Chemical State Changes in Ion-Irradiated Fuels and Structural Components with a High Kinetic Energy Electron Detector – Illinois Institute of Technology CX(s) Applied: B3.6 Date: 05/22/2012 Location(s): Idaho Offices(s): Idaho Operations Office

  5. Method and system for improved resolution of a compensated calorimeter detector

    DOE Patents [OSTI]

    Dawson, John W. (Willowbrook, IL)

    1991-01-01T23:59:59.000Z

    An improved method and system for a depleted uranium calorimeter detector used in high energy physics experiments. In a depleted uranium calorimeter detector, the energy of a particle entering the calorimeter detector is determined and the output response of the calorimeter detector is compensated so that the ratio of the integrated response of the calorimeter detector from a lepton to the integrated response of the calorimeter detector from a hadron of the same energy as the lepton is approximately equal to 1. In the present invention, the energy of a particle entering the calorimeter detector is determined as a function of time and the hadron content of the response of the calorimeter detector is inferred based upon the time structure of the energy pulse measured by the calorimeter detector. The energy measurement can be corrected based on the inference of the hadron content whereby the resolution of the calorimeter can be improved.

  6. Airfoil structure

    DOE Patents [OSTI]

    Frey, G.A.; Twardochleb, C.Z.

    1998-01-13T23:59:59.000Z

    Past airfoil configurations have been used to improve aerodynamic performance and engine efficiencies. The present airfoil configuration further increases component life and reduces maintenance by reducing internal stress within the airfoil itself. The airfoil includes a chord and a span. Each of the chord and the span has a bow being summed to form a generally ``C`` configuration of the airfoil. The generally ``C`` configuration includes a compound bow in which internal stresses resulting from a thermal temperature gradient are reduced. The structural configuration reduces internal stresses resulting from thermal expansion. 6 figs.

  7. Airfoil structure

    DOE Patents [OSTI]

    Frey, Gary A. (Poway, CA); Twardochleb, Christopher Z. (Alpine, CA)

    1998-01-01T23:59:59.000Z

    Past airfoil configurations have been used to improve aerodynamic performance and engine efficiencies. The present airfoil configuration further increases component life and reduces maintenance by reducing internal stress within the airfoil itself. The airfoil includes a chord and a span. Each of the chord and the span has a bow being summed to form a generally "C" configuration of the airfoil. The generally "C" configuration includes a compound bow in which internal stresses resulting from a thermal temperature gradient are reduced. The structural configuration reduces internal stresses resulting from thermal expansion.

  8. Economic Improvement Districts (Indiana)

    Broader source: Energy.gov [DOE]

    A legislative body may adopt an ordinance establishing an economic improvement district and an Economic Improvement Board to manage development in a respective district. The Board can choose to...

  9. TOPSAN: a collaborative annotation environment for structural genomics.

    E-Print Network [OSTI]

    Weekes, Dana; Krishna, S; Bakolitsa, Constantina; Wilson, Ian A; Godzik, Adam; Wooley, John

    2010-01-01T23:59:59.000Z

    environment for structural genomics Dana Weekes 1† , S Srihigh-throughput structural genomics centers, despite theirbeing determined by structural genomics centers and high-

  10. Refines Efficiency Improvement

    SciTech Connect (OSTI)

    WRI

    2002-05-15T23:59:59.000Z

    Refinery processes that convert heavy oils to lighter distillate fuels require heating for distillation, hydrogen addition or carbon rejection (coking). Efficiency is limited by the formation of insoluble carbon-rich coke deposits. Heat exchangers and other refinery units must be shut down for mechanical coke removal, resulting in a significant loss of output and revenue. When a residuum is heated above the temperature at which pyrolysis occurs (340 C, 650 F), there is typically an induction period before coke formation begins (Magaril and Aksenova 1968, Wiehe 1993). To avoid fouling, refiners often stop heating a residuum before coke formation begins, using arbitrary criteria. In many cases, this heating is stopped sooner than need be, resulting in less than maximum product yield. Western Research Institute (WRI) has developed innovative Coking Index concepts (patent pending) which can be used for process control by refiners to heat residua to the threshold, but not beyond the point at which coke formation begins when petroleum residua materials are heated at pyrolysis temperatures (Schabron et al. 2001). The development of this universal predictor solves a long standing problem in petroleum refining. These Coking Indexes have great potential value in improving the efficiency of distillation processes. The Coking Indexes were found to apply to residua in a universal manner, and the theoretical basis for the indexes has been established (Schabron et al. 2001a, 2001b, 2001c). For the first time, a few simple measurements indicates how close undesired coke formation is on the coke formation induction time line. The Coking Indexes can lead to new process controls that can improve refinery distillation efficiency by several percentage points. Petroleum residua consist of an ordered continuum of solvated polar materials usually referred to as asphaltenes dispersed in a lower polarity solvent phase held together by intermediate polarity materials usually referred to as resins. The Coking Indexes focus on the amount of these intermediate polarity species since coke formation begins when these are depleted. Currently the Coking Indexes are determined by either titration or solubility measurements which must be performed in a laboratory. In the current work, various spectral, microscopic, and thermal techniques possibly leading to on-line analysis were explored for measuring the Coking Indexes.

  11. 2007 IEEE International Conference on Signal Processing and Communications (ICSPC 2007), 24-27 November 2007, Dubai, United Arab Emirates IMPROVED INTER PREDICTION BASED ON

    E-Print Network [OSTI]

    Po, Lai-Man

    -27 November 2007, Dubai, United Arab Emirates IMPROVED INTER PREDICTION BASED ON STRUCTURAL SIMILARITY IN H

  12. CX-003713: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    CX-003713: Categorical Exclusion Determination Validation of Coupled Models and Optimization of Materials for Offshore Wind Structures CX(s) Applied: A9, B3.1, B3.3, B3.6 Date:...

  13. CX-002373: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    CX-002373: Categorical Exclusion Determination Validation of Coupled Models and Optimization of Materials for Offshore Wind Structures CX(s) Applied: B3.1, A9 Date: 05132010...

  14. CX-009425: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Categorical Exclusion Determination Partial Validation of Coupled Models and Optimization of Materials for Offshore Wind Structures CX(s) Applied: B3.3, B3.16, B5.18 Date:...

  15. CX-004369: Categorical Exclusion Determination | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    CX-004369: Categorical Exclusion Determination Validation of Coupled Models and Optimization of Materials for Offshore Wind Structures CX(s) Applied: A9, B3.1, B3.6 Date: 11...

  16. Determining solar abundances using helioseismology

    E-Print Network [OSTI]

    H. M. Antia; Sarbani Basu

    2006-02-28T23:59:59.000Z

    The recent downward revision of solar photospheric abundances of Oxygen and other heavy elements has resulted in serious discrepancies between solar models and solar structure as determined through helioseismology. In this work we investigate the possibility of determining the solar heavy-element abundance without reference to spectroscopy by using helioseismic data. Using the dimensionless sound-speed derivative in the solar convection zone, we find that the heavy element abundance, Z, of 0.0172 +/- 0.002, which is closer to the older, higher value of the abundances.

  17. Method for improving instrument response

    DOE Patents [OSTI]

    Hahn, David W. (7528 Oxford Cir., Dublin, Alameda County, CA 94568); Hencken, Kenneth R. (2665 Calle Alegre, Pleasanton, Alameda County, CA 94566); Johnsen, Howard A. (5443 Celeste Ave., Livermore, Alameda County, CA 94550); Flower, William L. (5447 Theresa Way, Livermore, Alameda County, CA 94550)

    2000-01-01T23:59:59.000Z

    This invention pertains generally to a method for improving the accuracy of particle analysis under conditions of discrete particle loading and particularly to a method for improving signal-to-noise ratio and instrument response in laser spark spectroscopic analysis of particulate emissions. Under conditions of low particle density loading (particles/m.sup.3) resulting from low overall metal concentrations and/or large particle size uniform sampling can not be guaranteed. The present invention discloses a technique for separating laser sparks that arise from sample particles from those that do not; that is, a process for systematically "gating" the instrument response arising from "sampled" particles from those responses which do not, is dislosed as a solution to his problem. The disclosed approach is based on random sampling combined with a conditional analysis of each pulse. A threshold value is determined for the ratio of the intensity of a spectral line for a given element to a baseline region. If the threshold value is exceeded, the pulse is classified as a "hit" and that data is collected and an average spectrum is generated from an arithmetic average of "hits". The true metal concentration is determined from the averaged spectrum.

  18. Structure and yarn sensor for fabric

    DOE Patents [OSTI]

    Mee, D.K.; Allgood, G.O.; Mooney, L.R.; Duncan, M.G.; Turner, J.C.; Treece, D.A.

    1998-10-20T23:59:59.000Z

    A structure and yarn sensor for fabric directly determines pick density in a fabric thereby allowing fabric length and velocity to be calculated from a count of the picks made by the sensor over known time intervals. The structure and yarn sensor is also capable of detecting full length woven defects and fabric. As a result, an inexpensive on-line pick (or course) density measurement can be performed which allows a loom or knitting machine to be adjusted by either manual or automatic means to maintain closer fiber density tolerances. Such a sensor apparatus dramatically reduces fabric production costs and significantly improves fabric consistency and quality for woven or knitted fabric. 13 figs.

  19. Improved recovery demonstration for Williston Basin carbonates. Final report

    SciTech Connect (OSTI)

    Sippel, M.A.

    1998-07-01T23:59:59.000Z

    The purpose of this project was to demonstrate targeted infill and extension drilling opportunities, better determinations of oil-in-place, and methods for improved completion efficiency. The investigations and demonstrations were focussed on Red River and Ratcliffe reservoirs in the Williston Basin within portions of Montana, North Dakota and South Dakota. Both of these formations have been successfully explored with conventional 2-dimensional (2D) seismic. Improved reservoir characterization utilizing 3-dimensional (3D) seismic was investigated for identification of structural and stratigraphic reservoir compartments. These seismic characterizations were integrated with geological and engineering studies. The project tested lateral completion techniques, including high-pressure jetting lance technology and short-radius lateral drilling to enhance completion efficiency. Lateral completions should improve economics for both primary and secondary oil where low permeability is a problem and higher-density drilling of vertical infill wells is limited by drilling cost. New vertical wells were drilled to test bypassed oil in ares that were identified by 3D seismic. These new wells are expected to recover as much or greater oil than was produced by nearby old wells. The project tested water injection through vertical and horizontal wells in reservoirs where application of waterflooding has been limited. A horizontal well was drilled for testing water injection. Injection rates were tested at three times that of a vertical well. This demonstration well shows that water injection with horizontal completions can improve injection rates for economic waterflooding. This report is divided into two sections, part 1 covers the Red River and part 2 covers the Ratcliffe. Each part summarizes integrated reservoir characterizations and outlines methods for targeting by-passed oil reserves in the respective formation and locality.

  20. Structuring Structural Operational

    E-Print Network [OSTI]

    Mousavi, Mohammad

    aan de Technische Universiteit Eindhoven, op gezag van de Rector Magnificus, prof.dr.ir. C.J. van.A. Reniers CIP­DATA LIBRARY TECHNISCHE UNIVERSITEIT EINDHOVEN Mousavi, MohammadReza Structuring Structural Operational Semantics / MohammadReza Mousavi. ­ Eindhoven : Technische Universiteit Eindhoven, 2005

  1. Structuring Structural Operational

    E-Print Network [OSTI]

    Reniers, Michel

    aan de Technische Universiteit Eindhoven, op gezag van de Rector Magnificus, prof.dr.ir. C.J. van.A. Reniers CIP-DATA LIBRARY TECHNISCHE UNIVERSITEIT EINDHOVEN Mousavi, MohammadReza Structuring Structural Operational Semantics / MohammadReza Mousavi. - Eindhoven : Technische Universiteit Eindhoven, 2005

  2. Magnesium substitutions in rare-earth metal germanides with the Gd5Si4 type. Synthesis, structure determination and magnetic properties of RE5-xMgxGe4 (RE=Gd-Tm, Lu and Y)

    SciTech Connect (OSTI)

    Sarrao, J L [Los Alamos National Laboratory; Thompson, Joe D [Los Alamos National Laboratory; Tobash, P H [UNIV. OF DE; Bobev, S [UNIV. OF DE

    2009-01-01T23:59:59.000Z

    A series of magnesium-substituted rare-earth metal germanides with a general formula RE{sub 5-x}Mg{sub x}Ge{sub 4} (x {approx} 1.0-2.3; RE =Gd-Tm, Lu, Y) have been synthesized by high-temperature reactions and structurally characterized by single-crystal X-ray diffraction. These compounds crystallize with the common Gd{sub 5}Si{sub 4} type in the orthorhombic space group Pnma (No. 62; Z =4; Pearson's code oP36) and do not appear to undergo temperature-induced crystallographic phase transitions down to 120 K. Replacing rare-earth metal atoms with Mg, up to nearly 45 % at., reduces the valence electron count and is clearly expressed in the subtle changes of the Ge-Ge and metal-metal bonding. Magnetization measurements as a function of the temperature and the applied field reveal complex magnetic structures at cryogenic temperatures, and Curie-Weiss paramagnetic behavior at higher temperatures. The observed local moment magnetism is consistent with RE+ ground states in all cases. In the magnetically ordered phases, the magnetization cannot reach saturation in fields up to 50 kOe. The structural trends across the series and the variations of hte magnetic properties as a function of the Mg content are also discussed. KEYWORDS: Rare-earth intermetallics, germanides, crystal structure,Gd{sub 5}Si{sub 4} type.

  3. Improving Fired Heater Efficiency 

    E-Print Network [OSTI]

    Shriver, J. E.

    1983-01-01T23:59:59.000Z

    1982. 2, Fehervari, Willi, "Gas Measurement and Control for Pipeline Systems," The Foxboro Company. 3. Shriver, James, "CO/02 Boiler Control: Point Is Vi tal," POWER, October 1982. Set 1\\. Dukelow, Samuel, "Improving Boiler Efficiency...

  4. Recent Improvements in DDT

    E-Print Network [OSTI]

    Edwards, D.J.

    1963-11-01T23:59:59.000Z

    This paper will report new developments and recent improvements to DDT. "Window DDT" now will remember undefined symbols and define them on a later command. Using sequence breaks, it can change the contents of memory while ...

  5. Abuse Tolerance Improvements

    Broader source: Energy.gov (indexed) [DOE]

    additive shows some improvement in flammability compared to the control electrolyte (EC:EMC (2:8)). Metal Phosphate-Coated Cathodes (PSI): Delivered 2 kg of LiMPO4-coated...

  6. Improved Dragline Utilization 

    E-Print Network [OSTI]

    Keller, K. J.

    1980-01-01T23:59:59.000Z

    The cause of energy conservation can be served by increasing the efficiency of large draglines used in surface coal mining. The topic is the application of a training simulator, computer instrumentation and computer simulation to improve dragline...

  7. Managing Energy Efficiency Improvement 

    E-Print Network [OSTI]

    Almaguer, J.

    2006-01-01T23:59:59.000Z

    results has been the utilization of Six Sigma methodology to identify and seize opportunities to improve our performance and to better meet customer needs. Since its implementation in 1999, Six Sigma has proven to be a breakthrough process that can... take Dow to the next level of performance for all our key stakeholders. The Six Sigma methodology has been especially successful in improving energy efficiency and reducing energy costs and is the primary methodology used by technology center...

  8. Improved rubber nanofillers

    SciTech Connect (OSTI)

    Boyle, T. J.

    2012-03-01T23:59:59.000Z

    During this task, Silane functionalized TiO2 and HK3Ti4O4(SiO4)3 were sent to Goodyear (GY) for testing. These materials were characterized based on their interaction with the model elastomer, squalene. The Van der Waals interactions and Hamaker Constants for ZnO particles in squalene and rubber materials were characterized and it was determined that a 10-20 nm spacing was necessary between primary filler particles to maintain a stable nanocomposite. Contact angle measurements on the ZnO and ZnO-silane materials indicated that the solvent should wet the particles, and solvophobic attractions should not be present. These studies showed that the surface modification with sulfosilane coupling agents was successful, and high levels of dispersion of the particles remained possible. Further, a novel surface charging phenomenon where negative surface charging is developed in the squalene environment was observed and corroborated by measurements of particle size and of the surface modified materials in squalene. This impacts the dispersion of the particles according to the traditional colloidal interpretation of electrostatic repulsive forces between particles. Additionally, thin nanocomposite fibers were developed using electrospinning. The size and shape of the oxides did not change during the electrospinning process, although the shape of the fiber and the distribution of the particles, particularly for ZnO, was not ideal. There was an obvious increase in elastic modulus and hardness from the addition of the oxides, but differentiating the oxides, and particularly the surfactants, was difficult. The A-1289 lead to the greatest dispersion of the filler particles, while the A-1589 and the NXT produced clustered particle aggregates. This agrees with previous study of these materials in low molecular weight squalene solvent studies reported earlier. The behavior of the nanoparticle ZnO and the microparticle silica is different as well, with the ZnO being contained within the elastomer, and the SiO2 forming monolayers at the surface of the elastomer. The dynamic mechanical analysis did not show clear trends between the surface modification and the aggregate structure. In the silica particles, the NXT led to the least particle interaction, followed by the A-1289 and highest particle interaction found for the A-1589. For the nanosized ZnO, the best dispersion was found for the A-1589, with both the A-1289 and NXT exhibiting frequency dependent responses.

  9. Management of the aging of critical safety-related concrete structures in light-water reactor plants

    SciTech Connect (OSTI)

    Naus, D.J.; Oland, C.B. (Oak Ridge National Lab., TN (USA)); Arndt, E.G. (Nuclear Regulatory Commission, Washington, DC (USA))

    1990-01-01T23:59:59.000Z

    The Structural Aging Program has the overall objective of providing the USNRC with an improved basis for evaluating nuclear power plant safety-related structures for continued service. The program consists of a management task and three technical tasks: materials property data base, structural component assessment/repair technology, and quantitative methodology for continued-service determinations. Objectives, accomplishments, and planned activities under each of these tasks are presented. Major program accomplishments include development of a materials property data base for structural materials as well as an aging assessment methodology for concrete structures in nuclear power plants. Furthermore, a review and assessment of inservice inspection techniques for concrete materials and structures has been complete, and work on development of a methodology which can be used for performing current as well as reliability-based future condition assessment of concrete structures is well under way. 43 refs., 3 tabs.

  10. Seismic assessment strategies for masonry structures

    E-Print Network [OSTI]

    DeJong, Matthew J. (Matthew Justin)

    2009-01-01T23:59:59.000Z

    Masonry structures are vulnerable to earthquakes, but their seismic assessment remains a challenge. This dissertation develops and improves several strategies to better understand the behavior of masonry structures under ...

  11. antivenom improves maternal: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    care for improved maternal and child health, but the practice and structures of womens health care have not yet evolved to reflect this knowledge. 1-3 Barriers include...

  12. Improved vortex reactor system

    DOE Patents [OSTI]

    Diebold, James P. (Lakewood, CO); Scahill, John W. (Evergreen, CO)

    1995-01-01T23:59:59.000Z

    An improved vortex reactor system for affecting fast pyrolysis of biomass and Refuse Derived Fuel (RDF) feed materials comprising: a vortex reactor having its axis vertically disposed in relation to a jet of a horizontally disposed steam ejector that impels feed materials from a feeder and solids from a recycle loop along with a motive gas into a top part of said reactor.

  13. Energy Efficiency Improvement and Cost Saving Oportunities for the Concrete Industry

    E-Print Network [OSTI]

    Kermeli, Katerina

    2013-01-01T23:59:59.000Z

    a predictive and preventive maintenance program. The Motor1,700 tons of CO 2 per year. Preventive maintenance.A well structured preventive maintenance program can improve

  14. Improved solar heating systems

    DOE Patents [OSTI]

    Schreyer, J.M.; Dorsey, G.F.

    1980-05-16T23:59:59.000Z

    An improved solar heating system is described in which the incident radiation of the sun is absorbed on collector panels, transferred to a storage unit and then distributed as heat for a building and the like. The improvement is obtained by utilizing a storage unit comprising separate compartments containing an array of materials having different melting points ranging from 75 to 180/sup 0/F. The materials in the storage system are melted in accordance with the amount of heat absorbed from the sun and then transferred to the storage system. An efficient low volume storage system is provided by utilizing the latent heat of fusion of the materials as they change states in storing ad releasing heat for distribution.

  15. Improved vortex reactor system

    DOE Patents [OSTI]

    Diebold, J.P.; Scahill, J.W.

    1995-05-09T23:59:59.000Z

    An improved vortex reactor system is described for affecting fast pyrolysis of biomass and Refuse Derived Fuel (RDF) feed materials comprising: a vortex reactor having its axis vertically disposed in relation to a jet of a horizontally disposed steam ejector that impels feed materials from a feeder and solids from a recycle loop along with a motive gas into a top part of said reactor. 12 figs.

  16. Improving haul truck productivity

    SciTech Connect (OSTI)

    Fiscor, S.

    2007-06-15T23:59:59.000Z

    The paper reviews developments in payload management and cycle times. These were discussed at a roundtable held at the Haulage and Loading 2007 conference held in May in Phoenix, AZ, USA. Several original equipment manufacturers (OEMs) explaind what their companies were doing to improve cycle times for trucks, shovels and excavators used in surface coal mining. Quotations are given from Dion Domaschenz of Liebherr and Steve Plott of Cat Global Mining. 4 figs.

  17. Track 10: Feedback and Improvement

    Broader source: Energy.gov [DOE]

    ISM Workshop Presentations Knoxville Convention Center, Knoxville, TN August 2009 Track 10: Feedback and Improvement

  18. EMPOWERING DIGITAL SELF DETERMINATION

    E-Print Network [OSTI]

    Das, Rhiju

    : Communication and Digital Media 2. Data Context and Digital Personas 3. Personal Data: Use, ReuseEMPOWERING DIGITAL SELF DETERMINATION Symposium Summary Stanford University, Summer 2012 #12;#12;EMPOWERING DIGITAL SELF DETERMINATION Symposium, Stanford University, CA Summer, 2012 210 Panama Street

  19. Galaxy Redshifts: Improved Techniques

    E-Print Network [OSTI]

    A. F. Heavens

    1993-05-26T23:59:59.000Z

    This paper analyses the effects of random noise in determining errors and confidence levels for galaxy redshifts obtained by cross-correlation techniques. The main finding is that confidence levels have previously been overestimated, and errors inaccurately calculated in certain applications. New formul\\ae\\ are presented.

  20. Evaluation of improved polyamides

    SciTech Connect (OSTI)

    Hishaw, R.J.

    1980-06-01T23:59:59.000Z

    Three polyamides, nylon 11, nylon 12, and a transparent nylon, were evaluated by physical testing, characterization and analytical methods, and injection molding. None of the materials proved to be clearly superior to the others. Results of the evaluation will be used to determine applications for the materials in future production programs.

  1. Temperature determination using pyrometry

    DOE Patents [OSTI]

    Breiland, William G. (Albuquerque, NM); Gurary, Alexander I. (Bridgewater, NJ); Boguslavskiy, Vadim (Princeton, NJ)

    2002-01-01T23:59:59.000Z

    A method for determining the temperature of a surface upon which a coating is grown using optical pyrometry by correcting Kirchhoff's law for errors in the emissivity or reflectance measurements associated with the growth of the coating and subsequent changes in the surface thermal emission and heat transfer characteristics. By a calibration process that can be carried out in situ in the chamber where the coating process occurs, an error calibration parameter can be determined that allows more precise determination of the temperature of the surface using optical pyrometry systems. The calibration process needs only to be carried out when the physical characteristics of the coating chamber change.

  2. Improved ion detector

    DOE Patents [OSTI]

    Tullis, A.M.

    1986-01-30T23:59:59.000Z

    An improved ion detector device of the ionization detection device chamber type comprises an ionization chamber having a central electrode therein surrounded by a cylindrical electrode member within the chamber with a collar frictionally fitted around at least one of the electrodes. The collar has electrical contact means carried in an annular groove in an inner bore of the collar to contact the outer surface of the electrode to provide electrical contact between an external terminal and the electrode without the need to solder leads to the electrode.

  3. Improved cycling cryopump

    DOE Patents [OSTI]

    Batzer, T.H.; Call, W.R.

    1984-12-04T23:59:59.000Z

    The present invention is designed to achieve continuous high efficiency cryopumping of a vacuum vessel by improving upon and combining in a novel way the cryopumping in a novel way the cryopumping methods. The invention consists of a continuous operation cryopump, with movable louvres, with a high efficiency pumping apparatus. The pumping apparatus includes three cryogenic tubes. They are constructed of a substance of high thermal conductivity, such as aluminum and their exterior surfaces are cryogenic condensing surfaces. Through their interior liquid or gaseous helium from two reservoirs can be made to flow, alternately promoting extreme cooling or allowing some warming.

  4. Improved Dark Energy Constraints

    Office of Scientific and Technical Information (OSTI)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItem Not Found Item Not Found TheHot electron dynamics in graphene byI _Improved Dark

  5. Long-term average performance benefits of parabolic trough improvements

    SciTech Connect (OSTI)

    Gee, R.; Gaul, H.W.; Kearney, D.; Rabl, A.

    1980-03-01T23:59:59.000Z

    Improved parabolic trough concentrating collectors will result from better design, improved fabrication techniques, and the development and utilization of improved materials. The difficulty of achieving these improvements varies as does their potential for increasing parabolic trough performance. The purpose of this analysis is to quantify the relative merit of various technology advancements in improving the long-term average performance of parabolic trough concentrating collectors. The performance benefits of improvements are determined as a function of operating temperature for north-south, east-west, and polar mounted parabolic troughs. The results are presented graphically to allow a quick determination of the performance merits of particular improvements. Substantial annual energy gains are shown to be attainable. Of the improvements evaluated, the development of stable back-silvered glass reflective surfaces offers the largest performance gain for operating temperatures below 150/sup 0/C. Above 150/sup 0/C, the development of trough receivers that can maintain a vacuum is the most significant potential improvement. The reduction of concentrator slope errors also has a substantial performance benefit at high operating temperatures.

  6. Data mining for structure type prediction

    E-Print Network [OSTI]

    Tibbetts, Kevin (Kevin Joseph)

    2004-01-01T23:59:59.000Z

    Determining the stable structure types of an alloy is critical to determining many properties of that material. This can be done through experiment or computation. Both methods can be expensive and time consuming. Computational ...

  7. Petroleum Processing Efficiency Improvement

    SciTech Connect (OSTI)

    John Schabron; Joseph Rovani; Mark Sanderson; Jenny Loveridge

    2012-09-01T23:59:59.000Z

    A series of volatile crude oils was characterized using the Asphaltene Determinator oncolumn precipitation and re-dissolution method developed at Western Research Institute (WRI). Gravimetric asphaltenes and polars fractions from silica gel chromatography separation of the oils were characterized also. A study to define the differences in composition of asphaltenes in refinery desalter rag layer emulsions and the corresponding feed and desalter oils was conducted. Results indicate that the most polar and pericondensed aromatic material in the asphaltenes is enriched in the emulsions. The wax types and carbon number distributions in the two heptaneeluting fractions from the Waxphaltene Determinator separation were characterized by repetitive collection of the fractions followed by high temperature gas chromatography (GC) and Fourier transform infrared spectroscopy (FTIR). High resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICRMS) was conducted by researchers at the Florida State University National High Magnetic Field laboratory in a no-cost collaboration with the study.

  8. Robust Growth Determinants

    E-Print Network [OSTI]

    Doppelhofer, Gernot; Weeks, Melvyn

    2011-01-31T23:59:59.000Z

    This paper investigates the robustness of determinants of economic growth in the presence of model uncertainty, parameter heterogeneity and outliers. The robust model averaging approach introduced in the paper uses a flexible and parsimonious...

  9. Lake Improvement District Law and County Lake Improvement Program (Minnesota)

    Broader source: Energy.gov [DOE]

    Lake Improvement Districts may be established by county boards in order to “improve the quality of water in lakes; provide for reasonable assurance of water quantity in lakes, where feasible and...

  10. Hydrocarbon saturation determination using acoustic velocities obtained through casing

    DOE Patents [OSTI]

    Moos, Daniel (Houston, TX)

    2010-03-09T23:59:59.000Z

    Compressional and shear velocities of earth formations are measured through casing. The determined compressional and shear velocities are used in a two component mixing model to provides improved quantitative values for the solid, the dry frame, and the pore compressibility. These are used in determination of hydrocarbon saturation.

  11. Spin dependent parton distributions and structure functions

    SciTech Connect (OSTI)

    W. Bentz; I. C. Cloet; T. Ito; A. W. Thomas; K. Yazaki

    2007-09-10T23:59:59.000Z

    Nuclear parton distributions and structure functions are determined in an effective chiral quark theory. We also discuss an extension of our model to fragmentation functions.

  12. Prospects for improved fusion reactors

    SciTech Connect (OSTI)

    Krakowski, R.A.; Miller, R.L.; Hagenson, R.L.

    1986-01-01T23:59:59.000Z

    Ideally, a new energy source must be capable of displacing old energy sources while providing both economic opportunities and enhanced environmental benefits. The attraction of an essentially unlimited fuel supply has generated a strong impetus to develop advanced fission breeders and, even more strongly, the exploitation of nuclear fusion. Both fission and fusion systems trade a reduced fuel charge for a more capital-intensive plant needed to utilize a cheaper and more abundant fuel. Results from early conceptual designs of fusion power plants, however, indicated a capital intensiveness that could override cost savings promised by an inexpensive fuel cycle. Early warnings of these problems appeared, and generalized routes to more economically attractive systems have been suggested; specific examples have also recently been given. Although a direct reduction in the cost (and mass) of the fusion power core (FPC, i.e., plasma chamber, first wall, blanket, shield, coils, and primary structure) most directly reduces the overall cost of fusion power, with the mass power density (MPD, ratio of net electric power to FPC mass, kWe/tonne) being suggested as a figure-of-merit in this respect, other technical, safety/environmental, and institutional issues also enter into the definition of and direction for improved fusion concepts. These latter issues and related tradeoffs are discussed.

  13. Improved Flow-Field Structures for Direct Methanol Fuel Cells

    SciTech Connect (OSTI)

    Gurau, Bogdan

    2013-05-31T23:59:59.000Z

    The direct methanol fuel cell (DMFC) is ideal if high energy-density liquid fuels are required. Liquid fuels have advantages over compressed hydrogen including higher energy density and ease of handling. Although state-of-the-art DMFCs exhibit manageable degradation rates, excessive fuel crossover diminishes system energy and power density. Although use of dilute methanol mitigates crossover, the concomitant lowering of the gross fuel energy density (GFED) demands a complex balance-of-plant (BOP) that includes higher flow rates, external exhaust recirculation, etc. An alternative approach is redesign of the fuel delivery system to accommodate concentrated methanol. NuVant Systems Inc. (NuVant) will maximize the GFED by design and assembly of a DMFC that uses near neat methanol. The approach is to tune the diffusion of highly concentrated methanol (to the anode catalytic layer) to the back-diffusion of water formed at the cathode (i.e. in situ generation of dilute methanol at the anode layer). Crossover will be minimized without compromising the GFED by innovative integration of the anode flow-field and the diffusion layer. The integrated flow-field-diffusion-layers (IFDLs) will widen the current and potential DMFC operating ranges and enable the use of cathodes optimized for hydrogen-air fuel cells.

  14. Improving Grasp Skills Using Schema Structured Robert Platt

    E-Print Network [OSTI]

    Fagg, Andrew H.

    Lane Platt Lane UpperLloydStreet HartLane Claremont Road Mauldeth RoadMauldeth Road West Albert Road Coupland Chapel 43. Roby URC 44. Quadria Jilamia Islamic Centre 45. Platt Lane Methodist Church 46. Holy Trinity, Platt Church of England 47. Platt Fields Park, open space with a lake. 48. Allen Hall 49. The Islah

  15. Method for improving performance of irradiated structural materials

    DOE Patents [OSTI]

    Megusar, Janez (Belmont, MA); Harling, Otto K. (Hingham, MA); Grant, Nicholas J. (Winchester, MA)

    1989-01-01T23:59:59.000Z

    Method for extending service life of nuclear reactor components prepared from ductile, high strength crystalline alloys obtained by devitrification of metallic glasses. Two variations of the method are described: (1) cycling the temperature of the nuclear reactor between the operating temperature which leads to irradiation damage and a l The U.S. Government has rights in this invention by virtue of Department of Energy, Office of Fusion Energy, Grant No. DE-AC02-78ER-10107.

  16. Improving Between-Shot Fusion Data Analysis with Parallel Structures

    SciTech Connect (OSTI)

    CHET NIETER

    2005-07-27T23:59:59.000Z

    In the Phase I project we concentrated on three technical objectives to demonstrate the feasibility of the Phase II project: (1) the development of a parallel MDSplus data handler, (2) the parallelization of existing fusion data analysis packages, and (3) the development of techniques to automatically generate parallelized code using pre-compiler directives. We summarize the results of the Phase I research for each of these objectives below. We also describe below additional accomplishments related to the development of the TaskDL and mpiDL parallelization packages.

  17. Solid Oxide Fuel Cell Technologies: Improved Electrode-Electrode Structures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over Our Instagram Secretary Moniz9MorganYouof EnergyVehicles and

  18. Improved Lattice Radial Quantization

    E-Print Network [OSTI]

    Richard C. Brower; Michael Cheng; George T. Fleming

    2014-07-28T23:59:59.000Z

    Lattice radial quantization was proposed in a recent paper by Brower, Fleming and Neuberger[1] as a nonperturbative method especially suited to numerically solve Euclidean conformal field theories. The lessons learned from the lattice radial quantization of the 3D Ising model on a longitudinal cylinder with 2D Icosahedral cross-section suggested the need for an improved discretization. We consider here the use of the Finite Element Methods(FEM) to descretize the universally-equivalent $\\phi^4$ Lagrangian on $\\mathbb R \\times \\mathbb S^2$. It is argued that this lattice regularization will approach the exact conformal theory at the Wilson-Fisher fixed point in the continuum. Numerical tests are underway to support this conjecture.

  19. Deceleration Orbit Improvements

    SciTech Connect (OSTI)

    Church, M.

    1991-04-26T23:59:59.000Z

    During the accelerator studies period of 12/90-1/91 much study time was dedicated to improving the E760 deceleration ramps. 4 general goals were in mind: (1) Reduce the relative orbit deviations from the nominal reference orbit as much as possible. This reduces the potential error in the orbit length calculation - which is the primary source of error in the beam energy calculation. (2) Maximize the transverse apertures. This minimizes beam loss during deceleration and during accidental beam blow-ups. (3) Measure and correct lattice parameters. Knowledge of {gamma}{sub T}, {eta}, Q{sub h}, Q{sub v}, and the dispersion in the straight sections allows for a more accurate energy calculation and reliable SYNCH calculations. (4) Minimize the coupling. This allows one to discern between horizontal and vertical tunes.

  20. Structural Genomics and Structural Proteomics: A Global Perspective

    E-Print Network [OSTI]

    Sussman, Joel L.

    -genome information and the success of high-throughput (HTP) methods in DNA sequencing. It was envisaged that similar HTP methods could be applied to deter- mining the 3-D structures of "all" the proteins (the "proteome, automated technologies for implementing a HTP pipeline approach to structure determination; a focus on novel

  1. Regulatory Streamlining and Improvement

    SciTech Connect (OSTI)

    Mark A. Carl

    2006-07-11T23:59:59.000Z

    The Interstate Oil and Gas Compact Commission (IOGCC) engaged in numerous projects outlined under the scope of work discussed in the United States Department of Energy (DOE) grant number DE-FC26-04NT15456 awarded to the IOGCC. Numerous projects were completed that were extremely valuable to state oil and gas agencies as a result of work performed utilizing resources provided by the grant. There are numerous areas in which state agencies still need assistance. This additional assistance will need to be addressed under future scopes of work submitted annually to DOE's Project Officer for this grant. This report discusses the progress of the projects outlined under the grant scope of work for the 2005-2006 areas of interest, which are as follows: Area of Interest No. 1--Regulatory Streamlining and Improvement: This area of interest continues to support IOGCC's regulatory streamlining efforts that include the identification and elimination of unnecessary duplications of efforts between and among state and federal programs dealing with exploration and production on public lands. Area of Interest No. 2--Technology: This area of interest seeks to improve efficiency in states through the identification of technologies that can reduce costs. Area of Interest No. 3--Training and Education: This area of interest is vital to upgrading the skills of regulators and industry alike. Within the National Energy Policy, there are many appropriate training and education opportunities. Education was strongly endorsed by the President's National Energy Policy Development group. Acting through the governors offices, states are very effective conduits for the dissemination of energy education information. While the IOGCC favors the development of a comprehensive, long-term energy education plan, states are also supportive of immediate action on important concerns, such as energy prices, availability and conservation. Area of Interest No. 4--Resource Assessment and Development: This area of interest relates directly to helping maximize production of domestic oil and natural gas resources, including areas that are under explored or have not been adequately defined.

  2. Improving Gas Flooding Efficiency

    SciTech Connect (OSTI)

    Reid Grigg; Robert Svec; Zheng Zeng; Alexander Mikhalin; Yi Lin; Guoqiang Yin; Solomon Ampir; Rashid Kassim

    2008-03-31T23:59:59.000Z

    This study focuses on laboratory studies with related analytical and numerical models, as well as work with operators for field tests to enhance our understanding of and capabilities for more efficient enhanced oil recovery (EOR). Much of the work has been performed at reservoir conditions. This includes a bubble chamber and several core flood apparatus developed or modified to measure interfacial tension (IFT), critical micelle concentration (CMC), foam durability, surfactant sorption at reservoir conditions, and pressure and temperature effects on foam systems.Carbon dioxide and N{sub 2} systems have been considered, under both miscible and immiscible conditions. The injection of CO2 into brine-saturated sandstone and carbonate core results in brine saturation reduction in the range of 62 to 82% brine in the tests presented in this paper. In each test, over 90% of the reduction occurred with less than 0.5 PV of CO{sub 2} injected, with very little additional brine production after 0.5 PV of CO{sub 2} injected. Adsorption of all considered surfactant is a significant problem. Most of the effect is reversible, but the amount required for foaming is large in terms of volume and cost for all considered surfactants. Some foams increase resistance to the value beyond what is practical in the reservoir. Sandstone, limestone, and dolomite core samples were tested. Dissolution of reservoir rock and/or cement, especially carbonates, under acid conditions of CO2 injection is a potential problem in CO2 injection into geological formations. Another potential change in reservoir injectivity and productivity will be the precipitation of dissolved carbonates as the brine flows and pressure decreases. The results of this report provide methods for determining surfactant sorption and can be used to aid in the determination of surfactant requirements for reservoir use in a CO{sub 2}-foam flood for mobility control. It also provides data to be used to determine rock permeability changes during CO{sub 2} flooding due to saturation changes, dissolution, and precipitation.

  3. CONFORMANCE IMPROVEMENT USING GELS

    SciTech Connect (OSTI)

    Randall S. Seright

    2004-09-30T23:59:59.000Z

    This report describes work performed during the third and final year of the project, ''Conformance Improvement Using Gels.'' Corefloods revealed throughput dependencies of permeability reduction by polymers and gels that were much more prolonged during oil flow than water flow. This behavior was explained using simple mobility ratio arguments. A model was developed that quantitatively fits the results and predicts ''clean up'' times for oil productivity when production wells are returned to service after application of a polymer or gel treatment. X-ray computed microtomography studies of gels in strongly water-wet Berea sandstone and strongly oil-wet porous polyethylene suggested that oil penetration through gel-filled pores occurs by a gel-dehydration mechanism, rather than gel-ripping or gel-displacement mechanisms. In contrast, analysis of data from the University of Kansas suggests that the gel-ripping or displacement mechanisms are more important in more permeable, strongly water-wet sandpacks. These findings help to explain why aqueous gels can reduce permeability to water more than to oil under different conditions. Since cement is the most commonly used material for water shutoff, we considered when gels are preferred over cements. Our analysis and experimental results indicated that cement cannot be expected to completely fill (top to bottom) a vertical fracture of any width, except near the wellbore. For vertical fractures with apertures less than 4 mm, the cement slurry will simply not penetrate very far into the fracture. For vertical fractures with apertures greater than 4 mm, the slurry may penetrate a substantial distance into the bottom part of the fracture. However, except near the wellbore, the upper part of the fracture will remain open due to gravity segregation. We compared various approaches to plugging fractures using gels, including (1) varying polymer content, (2) varying placement (extrusion) rate, (3) using partially formed gels, (4) using combinations of high and low molecular weight (Mw) polymers, (5) using secondary crosslinking reactions, (6) injecting un-hydrated polymer particles, and (7) incorporating particulates. All of these methods showed promise in some aspects, but required performance improvements in other aspects. All materials investigated to date showed significant performance variations with fracture width. High pressure gradients and limited distance of penetration are common problems in tight fractures. Gravity segregation and low resistance to breaching are common problems in wide fractures. These will be key issues to address in future work. Although gels can exhibit disproportionate permeability reduction in fractures, the levels of permeability reduction for oil flow are too high to allow practical exploitation in most circumstances. In contrast, disproportionate permeability reduction provided by gels that form in porous rock (adjacent to the fractures) has considerable potential in fractured systems.

  4. Improved Calculation of Thermal Fission Energy

    E-Print Network [OSTI]

    Ma, X B; Wang, L Z; Chen, Y X; Cao, J

    2013-01-01T23:59:59.000Z

    Thermal fission energy is one of the basic parameters needed in the calculation of antineutrino flux for reactor neutrino experiments. It is useful to improve the precision of the thermal fission energy calculation for current and future reactor neutrino experiments, which are aimed at more precise determination of neutrino oscillation parameters. In this article, we give new values for thermal fission energies of some common thermal reactor fuel iso-topes, with improvements on two aspects. One is more recent input data acquired from updated nuclear databases. The other, which is unprecedented, is a consideration of the production yields of fission fragments from both thermal and fast incident neutrons for each of the four main fuel isotopes. The change in calculated antineutrino flux due to the new values of thermal fission energy is about 0.33%, and the uncertainties of the new values are about 30% smaller.

  5. IMPROVED ROOF STABILIZATION TECHNOLOGIES

    SciTech Connect (OSTI)

    M.A. Ebadian, Ph.D.

    1999-01-01T23:59:59.000Z

    Many U.S. Department of Energy (DOE) remediation sites have performed roof repair and roof replacement to stabilize facilities prior to performing deactivation and decommissioning (D&D) activities. This project will review the decision criteria used by these DOE sites, along with the type of repair system used for each different roof type. Based on this information, along with that compiled from roofing experts, a decision-making tool will be generated to aid in selecting the proper roof repair systems. Where appropriate, innovative technologies will be reviewed and applied to the decision-making tool to determine their applicability. Based on the results, applied research and development will be conducted to develop a method to repair these existing roofing systems, while providing protection for the D and D worker in a cost-efficient manner.

  6. Microcomputer-based information feedback system for improving tractor efficiency

    E-Print Network [OSTI]

    Grogan, Joseph

    1985-01-01T23:59:59.000Z

    ) used a gear oontrol system based on a customized version of the Motorola 6800 microprocessor. When used with heavy duty automatic transmissions in trucks and off highway equipment, improvements were seen in fuel efficiency, performanoe, reliability... in oil prices over the past deoade sparked more interest in determining tractor efficiency and in exploring ways to improve fuel economy. During the same time period, explosive growth in the eleotronics industry has made available very compact...

  7. Improved Membrane Materials for PEM Fuel Cell Application

    SciTech Connect (OSTI)

    Kenneth A. Mauritz; Robert B. Moore

    2008-06-30T23:59:59.000Z

    The overall goal of this project is to collect and integrate critical structure/property information in order to develop methods that lead to significant improvements in the durability and performance of polymer electrolyte membrane fuel cell (PEMFC) materials. This project is focused on the fundamental improvement of PEMFC membrane materials with respect to chemical, mechanical and morphological durability as well as the development of new inorganically-modified membranes.

  8. Distributed Approaches for Determination of Reconfiguration Algorithm Termination

    E-Print Network [OSTI]

    Lai, Hong-jian

    Distributed Approaches for Determination of Reconfiguration Algorithm Termination Pinak Tulpule architecture was used as globally shared memory structure for detection of algorithm termination. This paper of algorithm termination. Keywords--autonomous agent-based reconfiguration, dis- tributed algorithms, shipboard

  9. Individual and structural explanations of wage determination among employed women

    E-Print Network [OSTI]

    Colberg, Edli Erwin

    1983-01-01T23:59:59.000Z

    APPENDIX I. THE TREATMENT% OF INDEPENDENT VARIABLES IN THE MULTIPLE DUMMY ~SION ANALYSIS. . . . . . . . . . . . . . . . 102 APPENDIX II. THE MEASUREMENT OF LABOR FORCE ATTACHMENT. . 107 110 LIST OF TABLES TABLE 1. Hourly Wages by Formal Education.... ? tically over the past four decades. The rate of female parti- cipation in the labor force has more than doubled, increasing from approximately twenty-five percent in 1940 to over fifty per- cent in 1980 (U. S. Department of Labor, 1980). A corresponding...

  10. Protein structure and evolutionary history determine sequence space topology

    E-Print Network [OSTI]

    Shakhnovich, Boris E.; Deeds, Eric J.; Delisi, Charles; Shakhnovich, Eugene

    2005-01-01T23:59:59.000Z

    ; Grzybowski et al. 2002) for the study of protein fold- ing and prediction of ligand-binding energies. For this study, we use the trace of the second order of the contact matrix normalized by chain length as a simplest approxi- mation for designability... underlying both neofunc- tionalization and the potential development of resistance to emerging diseases. These results provide an example of how fun- damental physical principles can be statistically predictive in the biological Universe of protein folds...

  11. Protein Structure Determination from Pseudocontact Shifts Using ROSETTA

    E-Print Network [OSTI]

    Baker, David

    , Australian National University, Canberra, ACT 0200, Australia Received 21 October 2011; received in revised and Molecular Biosciences, University of Queensland, Brisbane, QLD 4072, Australia 2 Department of Biochemistry

  12. A VSP transformation technique for the determination of subsurface structure

    E-Print Network [OSTI]

    Malloy, Jeffrey Edward

    1985-01-01T23:59:59.000Z

    offset is 305 m, and reflector depth is 3000 m. . . . . . . . . . . . . . . . . , . . . . . . . 13 5 Plot showing normalized coverage as a function of dip of the reflector. Source offset is 305 m. Reflector depth is 2000 m, 6 Plot showing normalized... Geometry showing significance of as. 10 Physical significance of angle uo. 20 22 11 Stacking fold vs. bin offset for a reflector at 2000 m with a dip of 15'. Source offset is 305 m. 23 12 Stack'ing fold vs. bin offset for a reflector at 2000 m with a...

  13. Computing Approximate Solutions of the Protein Structure Determination Problem

    E-Print Network [OSTI]

    Dal Palù, Alessandro

    dovier@dimi.uniud.it 3 Dept. of Computer Science, New Mexico State University epontell of Computer Science at New Mexico State University, where he also serves as the Di- rector of the Knowledge in the context of energy landscape studies (24; 17; 2; 22; 1). Commonly, Monte Carlo simulations, based

  14. Integral membrane protein structure determination using pseudocontact shifts

    E-Print Network [OSTI]

    Crick, Duncan J.; Wang, Jue X.; Graham, Bim; Swarbrick, James D.; Mott, Helen R.; Nietlispach, Daniel

    2015-01-22T23:59:59.000Z

    step in Carte- sian space using only empirically-derived restraints, fol- lowed by simulated annealing steps in torsion angle space using all empirical and experimental restraints. Simulated annealing steps consisted of 200 ps dynamics at 10,000 K... ) Engineering of a bis-chelator motif into a protein a-helix for rigid lanthanide binding and paramag- netic NMR spectroscopy. Chem Commun 47:7368–7370 Tolman JR, Flanagan JM, Kennedy MA, Prestegard JH (1995) Nuclear magnetic dipole interactions in field...

  15. Computing Approximate Solutions of the Protein Structure Determination Problem using

    E-Print Network [OSTI]

    Dal Palù, Alessandro

    dovier@dimi.uniud.it 3 Dept. of Computer Science, New Mexico State University epontell dramatically. In these cases, constraint programming can be exploited to generate suboptimal candi- dates by mining the protein data bank, e.g., a collection of rotamers, can be introduced to provide additional

  16. COMPUTATIONAL METHODS FOR MOLEUCLAR STRUCTURE DETERMINATION: THEORY AND TECHNIQUE

    E-Print Network [OSTI]

    Lester, W.A.

    2010-01-01T23:59:59.000Z

    bases + RHF + UHF G 78 (DEC-VAX) G 76 + direct minimizationby MP2, MP3 G 80 (DEC-VAX) G 78 + CID + CISD + archivestored! HARTREE FOCK TIMES (VAX) N=40 15 min ST0-3G 4-31G 6-

  17. Evolutionary Molecular Structure Determination Using Grid-Enabled Data Mining

    E-Print Network [OSTI]

    Miller, Russ

    exploit the grid's ability to present the user with a computational infrastructure that will allow as 1000 unique non- Hydrogen atoms, which could not be solved by traditional reciprocal-space routines

  18. Structure Determination and Functional Analysis of a Chromate...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    terms of rational design principles for the use of enzymes in chromate and uranyl bioremediation. Citation: Jin H, Y Zhang, GW Buchko, SM Varnum, H Robinson, TC Squier, and PE...

  19. Sequence and Structural Determinants of Cu, Zn Superoxide Dismutase Aggregation

    E-Print Network [OSTI]

    Dokholyan, Nikolay V.

    , 2 microglobu- lin, and tau protein, have been shown to form amyloid fibrils in vitro (Thirumalai et dynamics simula- tion; protein misfolding; domain- swapping INTRODUCTION The formation of protein of native proteins to amyloids.4,5 Peptides corresponding to sequence fragments of amyloid-forming

  20. Structure determination of bromotricarbonyl([eta]-cyclopentadienyl)molybdenum(II)

    E-Print Network [OSTI]

    Boyle, T. J.; Takusagawa, Fusao; Heppert, J. A.

    1990-01-01T23:59:59.000Z

    -2701/90/050892-02S03.00 © 1990 International Union of Crystallography TIMOTHY J. BOYLE, FUSAO TAKUSAGAWA AND JOSEPH A. HEPPERT 893 crIo. The index range was - 8 < h < 8, 0 < k < 11, - 12 < / < 0. Two reflections were monitored after...

  1. Improved Detection of Bed Boundaries for Petrophysical Evaluation with Well Logs: Applications to Carbonate and Organic-Shale Formations

    E-Print Network [OSTI]

    Torres-Verdín, Carlos

    , and uncertainty in physical and pore-structure models. The interpretation method introduced in this paper improves. This improvement in the assessment of petrophysical/compositional properties reduces uncertainty in hydrocarbon

  2. The Structure of Lombricine Kinase: Implications for Phosphagen Conformational Changes

    SciTech Connect (OSTI)

    Bush, D. Jeffrey; Kirillova, Olga; Clark, Shawn A.; Davulcu, Omar; Fabiola, Felcy; Xie, Qing; Somasundaram, Thayumanasamy; Ellington, W. Ross; Chapman, Michael S. (Oregon HSU); (FSU)

    2012-05-29T23:59:59.000Z

    Lombricine kinase is a member of the phosphagen kinase family and a homolog of creatine and arginine kinases, enzymes responsible for buffering cellular ATP levels. Structures of lombricine kinase from the marine worm Urechis caupo were determined by x-ray crystallography. One form was crystallized as a nucleotide complex, and the other was substrate-free. The two structures are similar to each other and more similar to the substrate-free forms of homologs than to the substrate-bound forms of the other phosphagen kinases. Active site specificity loop 309-317, which is disordered in substrate-free structures of homologs and is known from the NMR of arginine kinase to be inherently dynamic, is resolved in both lombricine kinase structures, providing an improved basis for understanding the loop dynamics. Phosphagen kinases undergo a segmented closing on substrate binding, but the lombricine kinase ADP complex is in the open form more typical of substrate-free homologs. Through a comparison with prior complexes of intermediate structure, a correlation was revealed between the overall enzyme conformation and the substrate interactions of His{sup 178}. Comparative modeling provides a rationale for the more relaxed specificity of these kinases, of which the natural substrates are among the largest of the phosphagen substrates.

  3. Less is more: Novel cellulose structure requires fewer enzymes...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Cellulose requires fewer enzymes to process biomass to fuel Less is more: Novel cellulose structure requires fewer enzymes to process biomass to fuel Improved methods for breaking...

  4. aging aerospace structures: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and improving performance are two key factors in structural design. In the aerospace and automotive industries, this is particularly true with respect to design criteria such as...

  5. Near-term improvements in parabolic troughs: an economic and performance assessment

    SciTech Connect (OSTI)

    Gee, R.; Murphy, L.M.

    1981-08-01T23:59:59.000Z

    Improved parabolic-trough concentrating collectors will result from better design, improved fabrication techniques, and the development and utilization of improved materials. This analysis qualifies the performance potential of various parabolic-trough component improvements from a systems viewpoint and uses these performance data to determine the worth of each improvement on an economic basis. The improvements considered are evacuated receivers, silvered-glass reflectors, improved receiver, selective coatings, higher optical accuracy concentrations, and higher transmittance receiver glazings. Upper-bound costs for each improvement are provided as well as estimates of the increased solar system rates of return that are made possible by these improvements. The performance and economic potential of some of these improvements are shown to be substantial, especially at higher collector operating temperatures.

  6. STITCHER: Dynamic assembly of likely amyloid and prion beta-structures from secondary structure predictions

    E-Print Network [OSTI]

    Bryan, Allen W.

    The supersecondary structure of amyloids and prions, proteins of intense clinical and biological interest, are difficult to determine by standard experimental or computational means. In addition, significant conformational ...

  7. Power converter having improved fluid cooling

    DOE Patents [OSTI]

    Meyer, Andreas A.; Radosevich, Lawrence D.; Beihoff, Bruce C.; Kehl, Dennis L.; Kannenberg, Daniel G.

    2007-03-06T23:59:59.000Z

    A thermal support may receive one or more power electronic circuits. The support may aid in removing heat from the circuits through fluid circulating through the support, which may be controlled in a closed-loop manner. Interfacing between circuits, circuit mounting structure, and the support provide for greatly enhanced cooling. The support may form a shield from both external EMI/RFI and from interference generated by operation of the power electronic circuits. Features may be provided to permit and enhance connection of the circuitry to external circuitry, such as improved terminal configurations. Modular units may be assembled that may be coupled to electronic circuitry via plug-in arrangements or through interface with a backplane or similar mounting and interconnecting structures.

  8. Power converter having improved EMI shielding

    DOE Patents [OSTI]

    Beihoff, Bruce C.; Kehl, Dennis L.; Gettelfinger, Lee A.; Kaishian, Steven C.; Phillips, Mark G.; Radosevich, Lawrence D.

    2006-06-13T23:59:59.000Z

    EMI shielding is provided for power electronics circuits and the like via a direct-mount reference plane support and shielding structure. The thermal support may receive one or more power electronic circuits. The support may aid in removing heat from the circuits through fluid circulating through the support. The support forms a shield from both external EMI/RFI and from interference generated by operation of the power electronic circuits. Features may be provided to permit and enhance connection of the circuitry to external circuitry, such as improved terminal configurations. Modular units may be assembled that may be coupled to electronic circuitry via plug-in arrangements or through interface with a backplane or similar mounting and interconnecting structures.

  9. Vehicle drive module having improved EMI shielding

    DOE Patents [OSTI]

    Beihoff, Bruce C.; Kehl, Dennis L.; Gettelfinger, Lee A.; Kaishian, Steven C.; Phillips, Mark G.; Radosevich, Lawrence D.

    2006-11-28T23:59:59.000Z

    EMI shielding in an electric vehicle drive is provided for power electronics circuits and the like via a direct-mount reference plane support and shielding structure. The thermal support may receive one or more power electronic circuits. The support may aid in removing heat from the circuits through fluid circulating through the support. The support forms a shield from both external EMI/RFI and from interference generated by operation of the power electronic circuits. Features may be provided to permit and enhance connection of the circuitry to external circuitry, such as improved terminal configurations. Modular units may be assembled that may be coupled to electronic circuitry via plug-in arrangements or through interface with a backplane or similar mounting and interconnecting structures.

  10. Improving CS regulations.

    SciTech Connect (OSTI)

    Nesse, R.J.; Scheer, R.M.; Marasco, A.L.; Furey, R.

    1980-10-01T23:59:59.000Z

    President Carter issued Executive Order 12044 (3/28/78) that required all Federal agencies to distinguish between significant and insignificant regulations, and to determine whether a regulation will result in major impacts. This study gathered information on the impact of the order and the guidelines on the Office of Conservation and Solar Energy (CS) regulatory practices, investigated problems encountered by the CS staff when implementing the order and guidelines, and recommended solutions to resolve these problems. Major tasks accomplished and discussed are: (1) legislation, Executive Orders, and DOE Memoranda concerning Federal administrative procedures relevant to the development and analysis of regulations within CS reviewed; (2) relevant DOE Orders and Memoranda analyzed and key DOE and CS staff interviewed in order to accurately describe the current CS regulatory process; (3) DOE staff from the Office of the General Counsel, the Office of Policy and Evaluation, the Office of the Environment, and the Office of the Secretary interviewed to explore issues and problems encountered with current CS regulatory practices; (4) the regulatory processes at five other Federal agencies reviewed in order to see how other agencies have approached the regulatory process, dealt with specific regulatory problems, and responded to the Executive Order; and (5) based on the results of the preceding four tasks, recommendations for potential solutions to the CS regulatory problems developed. (MCW)

  11. INTEGRATED SAFETY MANAGEMENT SYSTEM SAFETY CULTURE IMPROVEMENT INITIATIVE

    SciTech Connect (OSTI)

    MCDONALD JA JR

    2009-01-16T23:59:59.000Z

    In 2007, the Department of Energy (DOE) identified safety culture as one of their top Integrated Safety Management System (ISMS) related priorities. A team was formed to address this issue. The team identified a consensus set of safety culture principles, along with implementation practices that could be used by DOE, NNSA, and their contractors. Documented improvement tools were identified and communicated to contractors participating in a year long pilot project. After a year, lessons learned will be collected and a path forward determined. The goal of this effort was to achieve improved safety and mission performance through ISMS continuous improvement. The focus of ISMS improvement was safety culture improvement building on operating experience from similar industries such as the domestic and international commercial nuclear and chemical industry.

  12. Y{sub 2}MoSe{sub 3}O{sub 12} and Y{sub 2}MoTe{sub 3}O{sub 12}: Solid-state synthesis, structure determination, and characterization of two new quaternary mixed metal oxides containing asymmetric coordination environment

    SciTech Connect (OSTI)

    Bang, Seong-eun; Pan, Zhi; Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min, E-mail: kmok@cau.ac.kr

    2013-12-15T23:59:59.000Z

    Two new quaternary yttrium molybdenum selenium/tellurium oxides, Y{sub 2}MoSe{sub 3}O{sub 12} and Y{sub 2}MoTe{sub 3}O{sub 12} have been prepared by standard solid-state reactions using Y{sub 2}O{sub 3}, MoO{sub 3}, and SeO{sub 2} (or TeO{sub 2}) as reagents. Single-crystal X-ray diffraction was used to determine the crystal structures of the reported materials. Although both of the materials contain second-order Jahn–Teller (SOJT) distortive cations and are stoichiometrically similar, they reveal different structural features: while Y{sub 2}MoSe{sub 3}O{sub 12} shows a three-dimensional framework consisting of YO{sub 8}, MoO{sub 6}, and SeO{sub 3} groups, Y{sub 2}MoTe{sub 3}O{sub 12} exhibits a layered structure composed of YO{sub 8}, MoO{sub 4}, TeO{sub 3}, and TeO{sub 4} polyhedra. With the Mo{sup 6+} cations in Y{sub 2}MoSe{sub 3}O{sub 12}, a C{sub 3}-type intraoctahedral distortion toward a face is observed, in which the direction of the out-of-center distortion for Mo{sup 6+} is away from the oxide ligand linked to a Se{sup 4+} cation. The Se{sup 4+} and Te{sup 4+} cations in both materials are in asymmetric coordination environment attributed to the lone pairs. Elemental analyses, infrared spectroscopy, thermal analyses, intraoctahedral distortions, and dipole moment calculations for the compounds are also presented. - Graphical abstract: Y{sub 2}MoSe{sub 3}O{sub 12} reveals a three-dimensional framework consisting of YO{sub 8}, MoO{sub 6}, and SeO{sub 3} polyhedra, whereas Y{sub 2}MoTe{sub 3}O{sub 12} exhibits a layered structure composed of YO{sub 8}, MoO{sub 4}, TeO{sub 3}, and TeO{sub 4} groups. - Highlights: • Two new selenite and tellurite (Y{sub 2}MoQ{sub 3}O{sub 12}; Q=Se and Te) are synthesized. • Y{sub 2}MoQ{sub 3}O{sub 12} contain second-order Jahn–Teller distortive cations in asymmetric environments. • The intra-octahedral distortion of the Mo{sup 6+} is influenced by the Se{sup 4+}.

  13. Improved reservoir characterization of the Rose Run sandstone on the East Randolph Field, Portage County, Ohio

    SciTech Connect (OSTI)

    Safley, I.E. [BDM-Oklahoma, Bartlesville, OK (United States); Thomas, J.B. [Belden & Blake Corp., North Canton, OH (United States)

    1996-09-01T23:59:59.000Z

    The East Randolph Field, located in Randolph Township, Portage County, Ohio, produces oil and gas from the Cambrian Rose Run sandstone unit, a member of the Knox Supergroup. Field development and infill drilling opportunities illustrate the need for improved reservoir characterization of the hydrocarbon productive intervals. This reservoir study is conducted under the Department of Energy`s Reservoir Management Program with professionals from BDM-Oklahoma and Belden & Blake Corporation. Well log and core analyses were conducted to determine the reservoir distribution, the heterogeneity of the hydrocarbon producing intervals, and the effects of faulting and fracturing on well productivity. The Rose Run sandstones and interbedded dolomites were subdivided into three productive intervals. Cross sections were constructed for correlation of individual layers and identification of localized faulting. The geologic data was input into GeoGraphix software for construction of structure, net pay, production, and gas- and water-oil ratio maps.

  14. Improving energy storage devices | EMSL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    energy storage devices Improving energy storage devices Released: April 15, 2014 Lithium-sulfur batteries last longer with nanomaterial-packed cathode A new PNNL-developed...

  15. Improve Your Boiler's Combustion Efficiency

    SciTech Connect (OSTI)

    Not Available

    2006-01-01T23:59:59.000Z

    This revised ITP tip sheet on boiler combustion efficiency provides how-to advice for improving industrial steam systems using low-cost, proven practices and technologies.

  16. Improving Solar-Cell Efficiency

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2003 | 2002 2001 | 2000 | 1998 | Subscribe to APS Science Highlights rss feed Improving Solar Cell Efficiency October 7, 2014 Bookmark and Share The two-dimensional grazing...

  17. QCD Thermodynamics with Improved Actions

    E-Print Network [OSTI]

    Karsch, Frithjof; Engels, J; Joswig, R; Laermann, E; Peikert, A; Petersson, B

    1996-01-01T23:59:59.000Z

    The thermodynamics of the SU(3) gauge theory has been analyzed with tree level and tadpole improved Symanzik actions. A comparison with the continuum extrapolated results for the standard Wilson action shows that improved actions lead to a drastic reduction of finite cut-off effects already on lattices with temporal extent $N_\\tau=4$. Results for the pressure, the critical temperature, surface tension and latent heat are presented. First results for the thermodynamics of four-flavour QCD with an improved staggered action are also presented. They indicate similarly large improvement factors for bulk thermodynamics.

  18. Ninebrane structures

    E-Print Network [OSTI]

    Hisham Sati

    2015-01-16T23:59:59.000Z

    String structures in degree four are associated with cancellation of anomalies of string theory in ten dimensions. Fivebrane structures in degree eight have recently been shown to be associated with cancellation of anomalies associated to the NS5-brane in string theory as well as the M5-brane in M-theory. We introduce and describe "Ninebrane structures" in degree twelve and demonstrate how they capture some anomaly cancellation phenomena in M-theory. Along the way we also define certain variants, considered as intermediate cases in degree nine and ten, which we call "2-Orientation" and "2-Spin structures", respectively. As in the lower degree cases, we also discuss the natural twists of these structures and characterize the corresponding topological groups associated to each of the structures, which likewise admit refinements to differential cohomology.

  19. Determining Pregnancy in Cattle.

    E-Print Network [OSTI]

    Sorensen, A. M. Jr.; Beverly, J. R.

    1968-01-01T23:59:59.000Z

    . This should not upset the pal- pator. An indication of rectum damage is a sand- paper or gritty feeling. In this case, the mucosa lining the rectum has been rubbed off in the palpation pro- cess. It is best to stop further palpation when this occurs. A... good land- mark, figure 2. After locating the cervix, the pal- pator can move forward to the uterus to determine pregnancy. The paunch, located directly forward and to the left, may feel like the end of a football and be rather soft and mushy...

  20. Current performance and potential improvements in solar thermal industrial heat

    SciTech Connect (OSTI)

    Hale, M.J.; Williams, T.; Barker, G.

    1992-12-01T23:59:59.000Z

    A representive current state-of-the-art system using parabolic trough technology was developed using data from a system recently installed in Tehachapi, California. A simulation model was used to estimate the annual energy output from the system at three different insolation locations. Based on discussions with industry personnel and within NREL, we identified a number of technology improvements that offer the potential for increasing the energy performance and reducing the energy-cost of the baseline system. The technology improvements modeled included an evacuated-tube receiver, an antireflective coating on the receiver tube, an improved absorber material, a cleaner reflecting surface, a reflecting surface that can withstand contact cleaning, and two silver reflectors. The properties associated with the improvements were incorporated into the model simulation at the three insolation locations to determine if there were any performance gains. The results showed that there was a potential for a more am 50% improvement in the annual energy delivered by a 2677 m{sup 2} system incorporating a combination of the enumerated technology improvements. We discuss the commercial and technological status of each design improvement and present performance predictions for the trough-design improvements.

  1. Current performance and potential improvements in solar thermal industrial heat

    SciTech Connect (OSTI)

    Hale, M.J.; Williams, T.; Barker, G.

    1992-12-01T23:59:59.000Z

    A representive current state-of-the-art system using parabolic trough technology was developed using data from a system recently installed in Tehachapi, California. A simulation model was used to estimate the annual energy output from the system at three different insolation locations. Based on discussions with industry personnel and within NREL, we identified a number of technology improvements that offer the potential for increasing the energy performance and reducing the energy-cost of the baseline system. The technology improvements modeled included an evacuated-tube receiver, an antireflective coating on the receiver tube, an improved absorber material, a cleaner reflecting surface, a reflecting surface that can withstand contact cleaning, and two silver reflectors. The properties associated with the improvements were incorporated into the model simulation at the three insolation locations to determine if there were any performance gains. The results showed that there was a potential for a more am 50% improvement in the annual energy delivered by a 2677 m[sup 2] system incorporating a combination of the enumerated technology improvements. We discuss the commercial and technological status of each design improvement and present performance predictions for the trough-design improvements.

  2. Correlation Trends in the Hyperfine Structures of $^{210,212}$Fr

    E-Print Network [OSTI]

    Sahoo, B K; Das, B P; Sakemi, Y

    2015-01-01T23:59:59.000Z

    We demonstrate the importance of electron correlation effects in the hyperfine structure constants of many low-lying states in $^{210}$Fr and $^{212}$Fr. This is achieved by calculating the magnetic dipole and electric quadrupole hyperfine structure constants using the Dirac-Fock approximation, second order many-body perturbation theory and the coupled-cluster method in the singles and doubles approximation in the relativistic framework. By combining our recommended theoretical results with the corresponding experimental values, improved nuclear magnetic dipole and electric quadrupole moments of the above isotopes are determined. In the present work, it is observed that there are large discrepancies between the hyperfine structure constants of the $7D_{5/2}$ state obtained from the experimental and theoretical studies whereas good agreements are found for the other $D_{5/2}$ states. Our estimated hyperfine constants for the $8P$, $6D$, $10S$ and $11S$ states could be very useful as benchmarks for the measurem...

  3. Deep Inelastic Scattering from A=3 Nuclei and the Neutron Structure Function

    SciTech Connect (OSTI)

    I. Afnan; F. Bissey; J. Gomez; A. Katramatou; S. Liuti; W. Melnitchouk; G. Petratos; A.W. Thomas

    2003-03-01T23:59:59.000Z

    We present a comprehensive analysis of deep inelastic scattering from {sup 3}He and {sup 3}H, focusing in particular on the extraction of the free neutron structure function, F{sup n}{sub 2}. Nuclear corrections are shown to cancel to within 1-2% for the isospin-weighted ratio of {sup 3}He to {sup 3}H structure functions, which leads to more than an order of magnitude improvement in the current uncertainty on the neutron to proton ratio F{sup 2n}{sub 2}/F{sup p}{sub 2} at large x. Theoretical uncertainties originating tom the nuclear wave function, including possible non-nucleonic components, are evaluated. Measurement of the {sup 3}He and {sup 3}H structure functions will, in addition, determine the magnitude of the EMC effect in all A [lte] 3 nuclei.

  4. Water Efficiency Improvements at Various Environmental Protection...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Water Efficiency Improvements at Various Environmental Protection Agency Sites Water Efficiency Improvements at Various Environmental Protection Agency Sites Water Efficiency...

  5. Improving alternative fuel utilization: detailed kinetic combustion...

    Energy Savers [EERE]

    Improving alternative fuel utilization: detailed kinetic combustion modeling & experimental testing Improving alternative fuel utilization: detailed kinetic combustion modeling &...

  6. Determinants of Meme Popularity

    E-Print Network [OSTI]

    Gleeson, James P; Baños, Raquel A; Moreno, Yamir

    2015-01-01T23:59:59.000Z

    Online social media have greatly affected the way in which we communicate with each other. However, little is known about what are the fundamental mechanisms driving dynamical information flow in online social systems. Here, we introduce a generative model for online sharing behavior and analytically show, using techniques from mathematical population genetics, that competition between memes for the limited resource of user attention leads to a type of self-organized criticality, with heavy-tailed distributions of meme popularity: a few memes "go viral" but the majority become only moderately popular. The time-dependent solutions of the model are shown to fit empirical micro-blogging data on hashtag usage, and to predict novel scaling features of the data. The presented framework, in contrast to purely empirical studies or simulation-based models, clearly distinguishes the roles of two distinct factors affecting meme popularity: the memory time of users and the connectivity structure of the social network.

  7. Significant Radionuclides Determination

    SciTech Connect (OSTI)

    Jo A. Ziegler

    2001-07-31T23:59:59.000Z

    The purpose of this calculation is to identify radionuclides that are significant to offsite doses from potential preclosure events for spent nuclear fuel (SNF) and high-level radioactive waste expected to be received at the potential Monitored Geologic Repository (MGR). In this calculation, high-level radioactive waste is included in references to DOE SNF. A previous document, ''DOE SNF DBE Offsite Dose Calculations'' (CRWMS M&O 1999b), calculated the source terms and offsite doses for Department of Energy (DOE) and Naval SNF for use in design basis event analyses. This calculation reproduces only DOE SNF work (i.e., no naval SNF work is included in this calculation) created in ''DOE SNF DBE Offsite Dose Calculations'' and expands the calculation to include DOE SNF expected to produce a high dose consequence (even though the quantity of the SNF is expected to be small) and SNF owned by commercial nuclear power producers. The calculation does not address any specific off-normal/DBE event scenarios for receiving, handling, or packaging of SNF. The results of this calculation are developed for comparative analysis to establish the important radionuclides and do not represent the final source terms to be used for license application. This calculation will be used as input to preclosure safety analyses and is performed in accordance with procedure AP-3.12Q, ''Calculations'', and is subject to the requirements of DOE/RW-0333P, ''Quality Assurance Requirements and Description'' (DOE 2000) as determined by the activity evaluation contained in ''Technical Work Plan for: Preclosure Safety Analysis, TWP-MGR-SE-000010'' (CRWMS M&O 2000b) in accordance with procedure AP-2.21Q, ''Quality Determinations and Planning for Scientific, Engineering, and Regulatory Compliance Activities''.

  8. Oxidized film structure and method of making epitaxial metal oxide structure

    DOE Patents [OSTI]

    Gan, Shupan [Richland, WA; Liang, Yong [Richland, WA

    2003-02-25T23:59:59.000Z

    A stable oxidized structure and an improved method of making such a structure, including an improved method of making an interfacial template for growing a crystalline metal oxide structure, are disclosed. The improved method comprises the steps of providing a substrate with a clean surface and depositing a metal on the surface at a high temperature under a vacuum to form a metal-substrate compound layer on the surface with a thickness of less than one monolayer. The compound layer is then oxidized by exposing the compound layer to essentially oxygen at a low partial pressure and low temperature. The method may further comprise the step of annealing the surface while under a vacuum to further stabilize the oxidized film structure. A crystalline metal oxide structure may be subsequently epitaxially grown by using the oxidized film structure as an interfacial template and depositing on the interfacial template at least one layer of a crystalline metal oxide.

  9. Air cathode structure manufacture

    DOE Patents [OSTI]

    Momyer, William R. (Palo Alto, CA); Littauer, Ernest L. (Los Altos Hills, CA)

    1985-01-01T23:59:59.000Z

    An improved air cathode structure for use in primary batteries and the like. The cathode structure includes a matrix active layer, a current collector grid on one face of the matrix active layer, and a porous, nonelectrically conductive separator on the opposite face of the matrix active layer, the collector grid and separator being permanently bonded to the matrix active layer. The separator has a preselected porosity providing low IR losses and high resistance to air flow through the matrix active layer to maintain high bubble pressure during operation of the battery. In the illustrated embodiment, the separator was formed of porous polypropylene. A thin hydrophobic film is provided, in the preferred embodiment, on the current collecting metal grid.

  10. Understanding and Improving Software Productivity

    E-Print Network [OSTI]

    Scacchi, Walt

    Understanding and Improving Software Productivity Walt Scacchi Institute for Software Research;2 Introduction · What affects software productivity? ­ Software productivity has been one of the most studied aspects of software engineering ­ Goal: review sample of empirical studies of software productivity

  11. Hamilton County- Home Improvement Program

    Broader source: Energy.gov [DOE]

    The Hamilton County, Ohio, Home Improvement Program (HIP) was originally initiated in 2002, and then reinstated in May 2008. The HIP loan allows homeowners in Hamilton County communities to borrow...

  12. Structural and electrical characterizations of In{sub x}Ga{sub 1-x}As/InP structures for infrared photodetector applications

    SciTech Connect (OSTI)

    Asar, Tar?k, E-mail: trkasar@gazi.edu.tr; Özçelik, Süleyman [Department of Physics, Faculty of Science, Gazi University, Ankara 06500 (Turkey); Photonics Application and Research Center, Gazi University, Ankara 06500 (Turkey); Özbay, Ekmel [Nanotechnology Research Center, Bilkent University, Bilkent, Ankara 06800 (Turkey); Department of Physics, Bilkent University, Bilkent, Ankara 06800 (Turkey)

    2014-03-14T23:59:59.000Z

    Three InGaAs/InP structures for photodetector applications were grown with different indium compositions by MBE technique. The structural properties of the samples have been obtained by means of high resolution X-ray diffraction and secondary ion mass spectrometry measurements. Three InGaAs/InP metal-semiconductor-metal devices were fabricated at room temperature. The experimental forward and reverse bias current–voltage characteristics of the devices such as ideality factor, barrier height, and saturation current were evaluated considering the structural properties of the grown structures. The carrier recombination lifetime and diffusion length in the devices were also calculated using carrier density and mobility data obtained with Hall effect measurement at room temperature. It was determined that all room temperature fabricated devices improved the Schottky barrier height. Especially, the device fabricated on the lower mismatched structure exhibited barrier height enhancement from 0.2?eV, which is the conventional barrier height to 0.642?eV. In addition, the obtained results show that the room temperature fabricated devices on InGaAs/InP structures can be convenient for infrared photodetector applications.

  13. CX-012810: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    St. Johns-Keeler Minor Access Road Improvement CX(s) Applied: B1.3Date: 41901 Location(s): OregonOffices(s): Bonneville Power Administration

  14. Deployable structures

    E-Print Network [OSTI]

    Hernández Merchan, Carlos Henrique

    1987-01-01T23:59:59.000Z

    This thesis has the purpose of describing the meaning and applications of deployable structures (making emphasis in the scissor-hinged and sliding mechanisms.) and the development of new geometries, details, and mechanisms ...

  15. Next Generation Surfactants for Improved Chemical Flooding Technology

    SciTech Connect (OSTI)

    Laura Wesson; Prapas Lohateeraparp; Jeffrey Harwell; Bor-Jier Shiau

    2012-05-31T23:59:59.000Z

    The principle objective of this project was to characterize and test current and next generation high performance surfactants for improved chemical flooding technology, focused on reservoirs in the Pennsylvanian-aged (Penn) sands. In order to meet this objective the characteristic curvatures (Cc) of twenty-eight anionic surfactants selected for evaluation for use in chemical flooding formulations were determined. The Cc values ranged from -6.90 to 2.55 with the majority having negative values. Crude oil samples from nine Penn sand reservoirs were analyzed for several properties pertinent to surfactant formulation for EOR application. These properties included equivalent alkane carbon numbers, total acid numbers, and viscosity. The brine samples from these same reservoirs were analyzed for several cations and for total dissolved solids. Surfactant formulations were successfully developed for eight reservoirs by the end of the project period. These formulations were comprised of a tertiary mixture of anionic surfactants. The identities of these surfactants are considered proprietary, but suffice to say the surfactants in each mixture were comprised of varying chemical structures. In addition to the successful development of surfactant formulations for EOR, there were also two successful single-well field tests conducted. There are many aspects that must be considered in the development and implementation of effective surfactant formulations. Taking into account these other aspects, there were four additional studies conducted during this project. These studies focused on the effect of the stability of surfactant formulations in the presence of polymers with an associated examination of polymer rheology, the effect of the presence of iron complexes in the brine on surfactant stability, the potential use of sacrificial agents in order to minimize the loss of surfactant to adsorption, and the effect of electrolytes on surfactant adsorption. In these last four studies the effects of such things as temperature, electrolyte concentration and the effect of different types of electrolytes were taken into consideration.

  16. Research Report Sensory experience determines enrichment-induced plasticity

    E-Print Network [OSTI]

    Kilgard, Michael P.

    Research Report Sensory experience determines enrichment-induced plasticity in rat auditory cortex in an enriched environment increases response strength and paired-pulse depression in the auditory cortex.L., Kilgard, M.P., 2004. Environmental enrichment improves response strength, threshold, selectivity

  17. Determining the neutrino mass hierarchy

    SciTech Connect (OSTI)

    Parke, Stephen J.; /Fermilab

    2006-07-01T23:59:59.000Z

    In this proceedings I review the physics that future experiments will use to determine the neutrino mass hierarchy.

  18. Analysis of improvements in system efficiency and safety at highway-railroad-pedestrian grade crossings

    E-Print Network [OSTI]

    Tydlacka, Jonathan Michael

    2013-02-22T23:59:59.000Z

    The purpose of this project was to perform micro-simulation analyses on intersections near Highway-Railroad Grade Crossings to determine if controlling mean train speed and train speed variability would improve safety and reduce delays. The first...

  19. New 3E Plus Computer Program- A Tool for Improving Industrial Energy Efficiency

    E-Print Network [OSTI]

    Brayman, N. J.

    The task of determining how much insulation is necessary in the US industrial and manufacturing sector to save money, use less energy, reduce plant emissions and improve process efficiency has been greatly simplified thanks to a software program...

  20. Improving liquid chemical intervention methods to control pathogens on fresh-cut fruits and vegetables 

    E-Print Network [OSTI]

    Troya, Maria Rosa

    2006-08-16T23:59:59.000Z

    effectiveness of liquid chemical treatment was studied. Experiments determined if sanitizer contact with bacteria could be improved through the use of surfactants and different application methods (drop application method, negative pressure differential...

  1. An improved integrally formed radio frequency quadrupole

    DOE Patents [OSTI]

    Abbott, S.R.

    1987-10-05T23:59:59.000Z

    An improved radio frequency quadrupole is provided having an elongate housing with an elongate central axis and top, bottom and two side walls symmetrically disposed about the axis, and vanes formed integrally with the walls, the vanes each having a cross-section at right angles to the central axis which tapers inwardly toward the axis to form electrode tips spaced from each other by predetermined distances. Each of the four walls, and the vanes integral therewith, is a separate structural element having a central lengthwise plane passing through the tip of the vane, the walls having flat mounting surfaces at right angles to and parallel to the control plane, respectively, which are butted together to position the walls and vane tips relative to each other. 4 figs.

  2. Vehicle drive module having improved cooling configuration

    DOE Patents [OSTI]

    Radosevich, Lawrence D.; Meyer, Andreas A.; Kannenberg, Daniel G.; Kaishian, Steven C.; Beihoff, Bruce C.

    2007-02-13T23:59:59.000Z

    An electric vehicle drive includes a thermal support may receive one or more power electronic circuits. The support may aid in removing heat from the circuits through fluid circulating through the support. Power electronic circuits are thermally matched, such as between component layers and between the circuits and the support. The support may form a shield from both external EMI/RFI and from interference generated by operation of the power electronic circuits. Features may be provided to permit and enhance connection of the circuitry to external circuitry, such as improved terminal configurations. Modular units may be assembled that may be coupled to electronic circuitry via plug-in arrangements or through interface with a backplane or similar mounting and interconnecting structures.

  3. Functional Clustering Drives Encoding Improvement in a Developing Brain Network during Awake Visual Learning

    E-Print Network [OSTI]

    Dunfield, Derek

    Sensory experience drives dramatic structural and functional plasticity in developing neurons. However, for single-neuron plasticity to optimally improve whole-network encoding of sensory information, changes must be ...

  4. Protein NMR Structures Refined with Rosetta Have Higher Accuracy Relative to Corresponding Xray Crystal Structures

    E-Print Network [OSTI]

    Baker, David

    refinement of protein NMR structures was also compared with restrained CS-Rosetta calculations. For proteins spectroscopy (NMR). While X-ray crystal structures are derived from electron density data and are often dynamics and has the advantage of not requiring crystallization. Solution NMR structure determination

  5. Determinants of multiple measures of acceleration

    SciTech Connect (OSTI)

    Santini, D.J.; Anderson, J.

    1993-08-01T23:59:59.000Z

    Statistical analyses of the acceleration capability of gasoline vehicles have focused on zero to 97 km/h acceleration rates and have concluded that peak power per kilogram is an appropriate single surrogate for acceleration capability. In this paper, statistical methods are used with data for 107 vehicles tested and reported by Consumers Union for 1986--1988 model years to estimate the determinants of contemporary gasoline vehicle acceleration capability under various conditions, adding new variables to the statistical tests reported by others. Like previous studies, this analysis determined that power and weight provide the most information about acceleration capability. Using a model formulation unlike other studies, this study found that engine displacement also provides statistically significant improvements in explanation of 0-48, 0-97, and 48-97 km/h acceleration times. The coefficients of the equations imply that the use of smaller displacement engines, holding peak power constant, diminishes start-up and 0-97 km/h acceleration capability. A separate equation is estimated to illustrate the effects of advanced engine technologies on displacement, controlling for power. This equation is used in conjunction with the acceleration equations to illustrate a method of estimating performance-equivalent engine substitutions when engine technologies change. Transmission type was important for start-up acceleration, with automatic-transmission-equipped vehicles being significantly slower than stick-shift-equipped vehicles. Fuel injection was found to significantly improve start-up acceleration. Variables proxying aerodynamic-drag effects tended to be significant determinants of acceleration in the higher-speed equations, but not for start-up acceleration. Estimated aerodynamic drag effects indicated that drag slows down 0-97, 48-97, and 72-105 km/h acceleration of pickup trucks and sport utility vehicles more than passenger cars and vans.

  6. SURFACTANT - POLYMER INTERACTION FOR IMPROVED OIL RECOVERY

    SciTech Connect (OSTI)

    Unknown

    1998-10-01T23:59:59.000Z

    The goal of this research is to use the interaction between a surfactant and a polymer for efficient displacement of tertiary oil by improving slug integrity, adsorption and mobility control. Surfactant--polymer flooding has been shown to be highly effective in laboratory-scale linear floods. The focus of this proposal is to design an inexpensive surfactant-polymer mixture that can efficiently recover tertiary oil by avoiding surfactant slug degradation high adsorption and viscous/heterogeneity fingering. A mixture comprising a ''pseudo oil'' with appropriate surfactant and polymer has been selected to study micellar-polymer chemical flooding. The physical properties and phase behavior of this system have been determined. A surfactant-polymer slug has been designed to achieve high efficiency recovery by improving phase behavior and mobility control. Recovery experiments have been performed on linear cores and a quarter 5-spot. The same recovery experiments have been simulated using a commercially available simulator (UTCHEM). Good agreement between experimental data and simulation results has been achieved.

  7. IGNITION IMPROVEMENT OF LEAN NATURAL GAS MIXTURES

    SciTech Connect (OSTI)

    Jason M. Keith

    2005-02-01T23:59:59.000Z

    This report describes work performed during a thirty month project which involves the production of dimethyl ether (DME) on-site for use as an ignition-improving additive in a compression-ignition natural gas engine. A single cylinder spark ignition engine was converted to compression ignition operation. The engine was then fully instrumented with a cylinder pressure transducer, crank shaft position sensor, airflow meter, natural gas mass flow sensor, and an exhaust temperature sensor. Finally, the engine was interfaced with a control system for pilot injection of DME. The engine testing is currently in progress. In addition, a one-pass process to form DME from natural gas was simulated with chemical processing software. Natural gas is reformed to synthesis gas (a mixture of hydrogen and carbon monoxide), converted into methanol, and finally to DME in three steps. Of additional benefit to the internal combustion engine, the offgas from the pilot process can be mixed with the main natural gas charge and is expected to improve engine performance. Furthermore, a one-pass pilot facility was constructed to produce 3.7 liters/hour (0.98 gallons/hour) DME from methanol in order to characterize the effluent DME solution and determine suitability for engine use. Successful production of DME led to an economic estimate of completing a full natural gas-to-DME pilot process. Additional experimental work in constructing a synthesis gas to methanol reactor is in progress. The overall recommendation from this work is that natural gas to DME is not a suitable pathway to improved natural gas engine performance. The major reasons are difficulties in handling DME for pilot injection and the large capital costs associated with DME production from natural gas.

  8. Development of a structural health monitoring system for the life assessment of critical transportation infrastructure.

    SciTech Connect (OSTI)

    Roach, Dennis Patrick; Jauregui, David Villegas (New Mexico State University, Las Cruces, NM); Daumueller, Andrew Nicholas (New Mexico State University, Las Cruces, NM)

    2012-02-01T23:59:59.000Z

    Recent structural failures such as the I-35W Mississippi River Bridge in Minnesota have underscored the urgent need for improved methods and procedures for evaluating our aging transportation infrastructure. This research seeks to develop a basis for a Structural Health Monitoring (SHM) system to provide quantitative information related to the structural integrity of metallic structures to make appropriate management decisions and ensuring public safety. This research employs advanced structural analysis and nondestructive testing (NDT) methods for an accurate fatigue analysis. Metal railroad bridges in New Mexico will be the focus since many of these structures are over 100 years old and classified as fracture-critical. The term fracture-critical indicates that failure of a single component may result in complete collapse of the structure such as the one experienced by the I-35W Bridge. Failure may originate from sources such as loss of section due to corrosion or cracking caused by fatigue loading. Because standard inspection practice is primarily visual, these types of defects can go undetected due to oversight, lack of access to critical areas, or, in riveted members, hidden defects that are beneath fasteners or connection angles. Another issue is that it is difficult to determine the fatigue damage that a structure has experienced and the rate at which damage is accumulating due to uncertain history and load distribution in supporting members. A SHM system has several advantages that can overcome these limitations. SHM allows critical areas of the structure to be monitored more quantitatively under actual loading. The research needed to apply SHM to metallic structures was performed and a case study was carried out to show the potential of SHM-driven fatigue evaluation to assess the condition of critical transportation infrastructure and to guide inspectors to potential problem areas. This project combines the expertise in transportation infrastructure at New Mexico State University with the expertise at Sandia National Laboratories in the emerging field of SHM.

  9. Improved limit on {theta}{sub 13} and implications for neutrino masses in neutrinoless double beta decay and cosmology

    SciTech Connect (OSTI)

    Lindner, Manfred; Merle, Alexander; Rodejohann, Werner [Physik-Department, Technische Universitaet Muenchen, James-Franck-Strasse, D-85748 Garching (Germany)

    2006-03-01T23:59:59.000Z

    We analyze the impact of a measurement, or of an improved bound, on {theta}{sub 13} for the determination of the effective neutrino mass in neutrinoless double beta decay and cosmology. In particular, we discuss how an improved limit on (or a specific value of) {theta}{sub 13} can influence the determination of the neutrino mass spectrum via neutrinoless double beta decay. We also discuss the interplay with improved cosmological neutrino mass searches.

  10. Thermal Crosslinking of Organic Semiconducting Polythiophene Improves Transverse Hole Conductivity

    SciTech Connect (OSTI)

    Gearba, I.R.; Nam, C.-Y.; Pindak, R.; Black, C.T.

    2009-10-26T23:59:59.000Z

    Thermal crosslinking using a suitable radical initiator simultaneously improves electrical conductivity in the semiconducting polymer poly(3-hexylthiophene) and makes the material insoluble. Crosslinked polythiophene shows as much as a fivefold increase in hole conductivity across the film thickness without any shift in spectral light absorption. Grazing incidence x-ray diffraction reveals more in-plane polymer lamellae stacking with only a small decrease in film crystallinity. Improved transverse conductivity increases the performance of model planar solar cells by threefold, from 0.07% to 0.2%. The ability to render polythiophene insoluble without disrupting film structural order enables fabrication pathways to more complex device architectures.

  11. Structured Finance

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of ScienceandMesa del SolStrengthening a solid ... Strengthening aStructure ofof the CompleteStructure

  12. 5.841 Crystal Structure Refinement, Fall 2006

    E-Print Network [OSTI]

    Mueller, Peter

    This course in crystal structure refinement examines the practical aspects of crystal structure determination from data collection strategies to data reduction and basic and advanced refinement problems of organic and ...

  13. 5.067 Crystal Structure Refinement, Fall 2007

    E-Print Network [OSTI]

    Mueller, Peter

    This course in crystal structure refinement examines the practical aspects of crystal structure determination from data collection strategies to data reduction and basic and advanced refinement problems of organic and ...

  14. Biological Macromolecular Structures Data from the RCSB Protein Data Bank (RCSB PDB)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    The Research Collaboratory for Structural Bioinformatics (RCSB) is a non-profit consortium that works to improve understanding of the function of biological systems through the study of the 3-D structure of biological macromolecules. The RCSB PDB is one of three sites serving as deposition, data processing, and distribution sites of the Protein Data Bank Archive. Each site provides its own view of the primary data, thus providing a variety of tools and resources for the global community. RCSB is also the official keeper for the PDB archive, with sole access authority to the PDB archive directory structure and contents. The RCSB PDB Information Portal for Biological Macromolecular Structures offers online tools for search and retrieval, for visualizing structures, for depositing, validating, or downloading data, news and highlights, a discussion forum, and links to other areas of related research. The PDB archive is a repository of atomic coordinates and other information describing proteins and other important biological macromolecules. Structural biologists use methods such as X-ray crystallography, NMR spectroscopy, and cryo-electron microscopy to determine the location of each atom relative to each other in the molecule. They then deposit this information, which is then annotated and publicly released into the archive by the wwPDB. Results can be viewed as 3-D images or models.

  15. LMS-based method for damage detection applied to Phase II of Structural Health Monitoring benchmark problem 

    E-Print Network [OSTI]

    Preston, Robin Huckaby

    2006-08-16T23:59:59.000Z

    Structural Health Monitoring (SHM) is the process of monitoring the state of a structure to determine the existence, location, and degree of damage that may exist within the entire structure. A structureÂ?s health or level ...

  16. The Development of Structure Activity Relationships for Advance...

    Broader source: Energy.gov (indexed) [DOE]

    * Unravel structure-property relationship from the sub-atomic to macro- composite system levels. * Determine key material parameters and their implications for...

  17. aptamer sequence structure: Topics by E-print Network

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    sufficient information to determine 3D protein structure. Using a data-constrained maximum entropy model of the multiple sequence alignment, we identify pairs of...

  18. Energy Impacts of Productivity Improvements in Manufacturing 

    E-Print Network [OSTI]

    Mitrovic, B.; Muller, M. R.

    2002-01-01T23:59:59.000Z

    for potential improvements in energy use in concert with examination of waste streams and potential productivity improvements. The benefits of this new approach are substantial in particular with respect to productivity improvements. Such projects are much...

  19. OPERATING TEMPERATURE WINDOWS FOR FUSION REACTOR STRUCTURAL MATERIALS

    E-Print Network [OSTI]

    California at Los Angeles, University of

    OPERATING TEMPERATURE WINDOWS FOR FUSION REACTOR STRUCTURAL MATERIALS S.J. Zinkle1 and N.M. Ghoniem reactor structural materials: four reduced-activation structural materials (oxide-dispersion- strengthened operating temperature limit of structural materials is determined by one of four factors, all of which

  20. Application of expert networks for predicting proteins secondary structure

    E-Print Network [OSTI]

    Siegelmann , Hava T

    of proteins secondary structure. We use three independent networks, one for each structure (alpha, beta to be an alternative to the determination of secondary structure by means of free energy minimization, integration of secondary structures (alpha-helix, beta- sheet, and coil) (Nishikawa, 1983; Kabsch and Sander, 1983a

  1. Structural Health Monitoring

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level:Energy: Grid Integration Redefining What'sis Taking Over Our Instagram Secretary900SteepStrengthening northernDetermination ofTest Structures

  2. Nanocrystal structures

    DOE Patents [OSTI]

    Eisler, Hans J. (Stoneham, MA); Sundar, Vikram C. (Stoneham, MA); Walsh, Michael E. (Everett, MA); Klimov, Victor I. (Los Alamos, NM); Bawendi, Moungi G. (Cambridge, MA); Smith, Henry I. (Sudbury, MA)

    2008-12-30T23:59:59.000Z

    A structure including a grating and a semiconductor nanocrystal layer on the grating, can be a laser. The semiconductor nanocrystal layer can include a plurality of semiconductor nanocrystals including a Group II-VI compound, the nanocrystals being distributed in a metal oxide matrix. The grating can have a periodicity from 200 nm to 500 nm.

  3. Nanocrystal structures

    DOE Patents [OSTI]

    Eisler, Hans J.; Sundar, Vikram C.; Walsh, Michael E.; Klimov, Victor I.; Bawendi, Moungi G.; Smith, Henry I.

    2006-12-19T23:59:59.000Z

    A structure including a grating and a semiconductor nanocrystal layer on the grating, can be a laser. The semiconductor nanocrystal layer can include a plurality of semiconductor nanocrystals including a Group II–VI compound, the nanocrystals being distributed in a metal oxide matrix. The grating can have a periodicity from 200 nm to 500 nm.

  4. Improvement of four anode rods ion source

    SciTech Connect (OSTI)

    Abdel Salam, F. W.; El-Khabeary, H.; Abdel Reheem, A. M. [Accelerators and Ion Sources Department, Nuclear Research Center, Atomic Energy Authority, P. No. 13759 (Egypt); Ahmed, M. M. [Physics Department, Faculty of Science, Helwan University, Cairo (Egypt)

    2011-03-15T23:59:59.000Z

    In this work, an improved form of a saddle field ion source has been designed and constructed. It consists of four anode rods made from copper and two copper cathode discs. The two cathode discs are placed symmetrically on both sides of the four anode rods. The electrical discharge and output ion beam characteristics were measured at different pressures using argon gas. The optimum distance between each two anode rods was determined. Also the optimum distance between the four anode rods and any cathode disc was obtained. It was found that the optimum distance between each two anode rods equal to 6 mm, while the optimum distance between the four anode rods and any cathode disc equal to 16 mm, where a stable discharge current and maximum output ion beam current can be obtained. The effect of negative extraction voltage applied to both the extractor electrode and Faraday cup on the output ion beam current was studied. The sputter yield of copper and aluminum targets using argon ions of different energies was determined.

  5. Improving Inventory Control Using Forecasting

    E-Print Network [OSTI]

    Balandran, Juan

    2005-12-16T23:59:59.000Z

    EMGT 835 FIELD PROJECT: Improving Inventory Control Using Forecasting By Juan Mario Balandran jmbg@hotmail.com Master of Science The University of Kansas Fall Semester, 2005 An EMGT Field Project report submitted...............................................................................................................................................10 Current Inventory Forecast Process ...........................................................................................10 Development of Alternative Forecast Process...

  6. Improvement February 28 & 29, 2012

    E-Print Network [OSTI]

    New Mexico, University of

    HR Process Improvement Forums February 28 & 29, 2012 #12;Agenda Updates ­ New initiatives Resources Education Verification Request ­ Found in Employment Forms on the HR Web Page Researching other avenues ­ Diploma Translations ­ NM Department of Education for verification of High School diploma #12

  7. UNCONVENTIONAL METHODS FOR YIELD IMPROVEMENT

    E-Print Network [OSTI]

    Beckermann, Christoph

    methods (active heating and cooling, directional solidifi- cation) Novel yield improvement techniques through a vari- ety of active heating and cooling schemes. It is envisioned that the techniques will allow techniques for decreasing the size and number of risers re- quired to produce quality castings

  8. 3, 435470, 2006 Improved surface

    E-Print Network [OSTI]

    Boyer, Edmond

    related to off-shore activities require the knowledge of accurate sur- face winds and sea states on fineOSD 3, 435­470, 2006 Improved surface wind resolution A. Bentamy et al. Title Page Abstract near real time surface wind resolution over the Mediterranean Sea A. Bentamy, H.-L. Ayina, P

  9. Zymomonas with improved xylose utilization

    DOE Patents [OSTI]

    Viitanen, Paul V. (West Chester, PA); Tao, Luan (Havertown, PA); Zhang, Yuying (New Hope, PA); Caimi, Perry G. (Kennett Square, PA); McCutchen, Carol M. (Wilmington, DE); McCole, Laura (East Fallowfield, PA); Zhang, Min (Lakewood, CO); Chou, Yat-Chen (Lakewood, CO); Franden, Mary Ann (Centennial, CO)

    2011-08-16T23:59:59.000Z

    Strains of Zymomonas were engineered by introducing a chimeric xylose isomerase gene that contains a mutant promoter of the Z. mobilis glyceraldehyde-3-phosphate dehydrogenase gene. The promoter directs increased expression of xylose isomerase, and when the strain is in addition engineered for expression of xylulokinase, transaldolase and transketolase, improved utilization of xylose is obtained.

  10. Improved photovoltaic cells and electrodes

    DOE Patents [OSTI]

    Skotheim, T.A.

    1983-06-29T23:59:59.000Z

    Improved photovoltaic cells and electrodes for use therein, particularly electrodes employing amorphous silicon or polyacetylene coating are produced by a process which includes filling pinholes or porous openings in the coatings by electrochemical oxidation of selected monomers to deposit insulating polymer in the openings.

  11. What are Improvement Partnerships? "VCHIPisaperfectexampleofhowstategroupscancometogetheraroundacommongoaland

    E-Print Network [OSTI]

    Hayden, Nancy J.

    and knowledge, IPs increase the strength and quality of health care reform efforts for the nation as a whole the will and knowledge for sustainable change across the health care delivery system. Other states have expressed measurement- based efforts and a systems approach to improve the quality of children's health care. IPs draw

  12. Managing Critical Management Improvement Initiatives

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2003-10-01T23:59:59.000Z

    Provides requirements and responsibilities for planning, executing and assessing critical management improvement initiatives within DOE. DOE N 251.59, dated 9/27/2004, extends this Notice until 10/01/2005. Archived 11-8-10. Does not cancel other directives.

  13. Water Efficiency Improvements at Various Environmental Protection...

    Broader source: Energy.gov (indexed) [DOE]

    Water Efficiency Improvements at Various Environmental Protection Agency Sites: Best Management Practices Case Study 12-LaboratoryMedical Equipment Water Efficiency Improvements...

  14. Further improvement of conventional diesel NOx aftertreatment...

    Broader source: Energy.gov (indexed) [DOE]

    FEV GmbHOct 5 th 2011 DEER 2 Outline Introduction: Status of T2B5 LNT passenger car applications Improvement potential of engine out emissions Improvement...

  15. Industrial Energy Efficiency Projects Improve Competitiveness...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy Efficiency Projects Improve Competitiveness and Protect Jobs Industrial Energy Efficiency Projects Improve Competitiveness and Protect Jobs U.S. Department of Energy (DOE)...

  16. CRAD, Feedback and Continuous Improvement - DOE Headquarters...

    Office of Environmental Management (EM)

    CRAD, Feedback and Continuous Improvement - DOE Headquarters - December 4, 2007 CRAD, Feedback and Continuous Improvement - DOE Headquarters - December 4, 2007 December 4, 2007...

  17. Improved Solvers for Advanced Engine Combustion Simulation |...

    Broader source: Energy.gov (indexed) [DOE]

    Improved Solvers for Advanced Engine Combustion Simulation Improved Solvers for Advanced Engine Combustion Simulation 2013 DOE Hydrogen and Fuel Cells Program and Vehicle...

  18. Durability Improvements Through Degradation Mechanism Studies...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Improvements Through Degradation Mechanism Studies Durability Improvements Through Degradation Mechanism Studies Presented at the Department of Energy Fuel Cell Projects Kickoff...

  19. Advanced Manufacturing Initiative Improves Turbine Blade Productivity...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Advanced Manufacturing Initiative Improves Turbine Blade Productivity Advanced Manufacturing Initiative Improves Turbine Blade Productivity May 20, 2011 - 2:56pm Addthis This is an...

  20. Vehicle Fuel Economy Improvement through Thermoelectric Waste...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Fuel Economy Improvement through Thermoelectric Waste Heat Recovery Vehicle Fuel Economy Improvement through Thermoelectric Waste Heat Recovery 2005 Diesel Engine Emissions...

  1. Smart Grid Investments Improve Grid Reliability, Resilience,...

    Office of Environmental Management (EM)

    Investments Improve Grid Reliability, Resilience, and Storm Responses (November 2014) Smart Grid Investments Improve Grid Reliability, Resilience, and Storm Responses (November...

  2. Geosynchronous orbit determination using space surveillance network observations and improved radiative force modeling

    E-Print Network [OSTI]

    Lyon, Richard Harry, 1981-

    2004-01-01T23:59:59.000Z

    Correct modeling of the space environment, including radiative forces, is an important aspect of space situational awareness for geostationary (GEO) spacecraft. Solar radiation pressure has traditionally been modeled using ...

  3. Using hyperheuristics to improve the determination of the kinetic constants of a chemical reaction in

    E-Print Network [OSTI]

    Giménez, Domingo

    carbonate occurs: By reaction with acetic acid. CaCO3 + H3O+ Ca2+ + HCO- 3 + H2O By reaction with carbonic acid. CaCO3 + H2CO3 Ca2+ + 2 · HCO- 3 And by the hydrolysis reaction. CaCO3 + H2O Ca2+ + HCO- 3 + OH

  4. Improved determination of Heavy Quarkonium magnetic dipole transitions in pNRQCD

    E-Print Network [OSTI]

    Antonio Pineda; J. Segovia

    2014-11-24T23:59:59.000Z

    We compute the magnetic dipole transitions between low lying Heavy Quarkonium states in a model independent way. We use the weak-coupling version of the effective field theory named potential NRQCD with the static potential exactly incorporated in the leading order Hamiltonian. The precision we reach is $k_{\\gamma}^3/m^2\\times{\\cal O}(\\alpha_s^2,v^2)$ and $k_{\\gamma}^3/m^2\\times{\\cal O}(v^4)$ for the allowed and forbidden transitions respectively. We also resum the large logarithms associated to the heavy quark mass scale. The specific transitions considered in this paper are the following: $\\Upsilon(1S) \\to \\eta_b(1S)\\,\\gamma$, $J/\\psi(1S) \\to \\eta_c(1S)\\,\\gamma$, $h_b(1P) \\to \\chi_{b0,1}(1P)\\,\\gamma$, $\\chi_{b2}(1P) \\to h_b(1P)\\,\\gamma$, $\\Upsilon(2S) \\to \\eta_b(2S)\\,\\gamma$, $\\Upsilon(2S) \\to \\eta_b(1S)\\,\\gamma$ and $\\eta_b(2S)\\to\\Upsilon(1S)\\,\\gamma$. The effect of the new power counting is found to be large and the exact treatment of the soft logarithms of the static potential makes the factorization scale dependence much smaller. The convergence for the $b\\bar b$ ground state is quite good, and also quite reasonable for the $c\\bar c$ ground state and the $b\\bar b$ 1P state. For all of them we give solid predictions. For the 2S decays the situation is less conclusive, yet our results are perfectly consistent with existing data, as the previous disagreement with experiment for the $\\Upsilon(2S) \\to \\eta_b(1S)\\,\\gamma$ decay fades away. We also profit to compute some expectation values like the electromagnetic radius, r^2, or p^2. We find r^2 to be nicely convergent in all cases, whereas the convergence of p^2 is typically worse.

  5. CX-006264: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Wisconsin Biofuels Retail Availability Improvement Network (BRAIN) - Marshall Kwik TripCX(s) Applied: B5.1Date: 07/11/2011Location(s): Marshall, WisconsinOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  6. CX-005513: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Enhanced Chemical Cleaning of Waste Tanks to Improve Actinide SolubilityCX(s) Applied: B3.6Date: 02/04/2011Location(s): Aiken, South CarolinaOffice(s): Environmental Management, Savannah River Operations Office

  7. CX-011254: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Improved Large Aperture Collector Manufacturing CX(s) Applied: A9, B3.6, B5.17 Date: 09/12/2013 Location(s): Colorado Offices(s): Golden Field Office

  8. CX-002103: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Energy Improvements To Wastewater TreatmentCX(s) Applied: B2.5, B1.3, B5.1Date: 04/20/2010Location(s): Rutland, VermontOffice(s): Energy Efficiency and Renewable Energy

  9. CX-012297: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Wisconsin Biofuels Retail Availability Improvement Network (BRAIN) - E85 Station Installation CX(s) Applied: B5.22 Date: 06/03/2014 Location(s): Wisconsin Offices(s): National Energy Technology Laboratory

  10. CX-005082: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Wisconsin Biofuels Retail Availability Improvement Network (BRAIN) Program - Kwik TripCX(s) Applied: B5.1Date: 01/24/2011Location(s): Waukesha, WisconsinOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  11. CX-012298: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Wisconsin Biofuels Retail Availability Improvement Network (BRAIN) CX(s) Applied: A1, A9 Date: 06/03/2014 Location(s): Wisconsin Offices(s): National Energy Technology Laboratory

  12. CX-004378: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Genetic Improvement of SwitchgrassCX(s) Applied: B3.6Date: 11/02/2010Location(s): Kingston, Rhode IslandOffice(s): Energy Efficiency and Renewable Energy, Golden Field Office

  13. CX-006602: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Process Improvements to Biomass Pretreatment for Fuels and ChemicalsCX(s) Applied: A9, B3.6Date: 08/15/2011Location(s): MichiganOffice(s): Energy Efficiency and Renewable Energy, Golden Field Office

  14. CX-012514: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Improved Reliability of Solid Oxide Fuel Cell Systems – LG Fuel Cell Systems CX(s) Applied: B3.6Date: 41848 Location(s): OhioOffices(s): National Energy Technology Laboratory

  15. CX-008746: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Reactor Infrastructure Improvement at Kansas State University Nuclear Reactor – Kansas State University CX(s) Applied: B2.2 Date: 05/21/2012 Location(s): Idaho Offices(s): Idaho Operations Office

  16. CX-000790: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Infrastructure Improvements for Innovative Confinement Concept (ICC) Experiments with American Recovery and Reinvestment Act FundingCX(s) Applied: B3.13Date: 01/13/2010Location(s): New JerseyOffice(s): Princeton Site Office, Science

  17. CX-000792: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Infrastructure Improvements for General Plasma Science UserCX(s) Applied: B3.6Date: 02/08/2010Location(s): New JerseyOffice(s): Princeton Site Office, Science

  18. CX-005904: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    100/700 Pound Per Square Inch Compressor Facility Air Improvements ProjectCX(s) Applied: B1.3Date: 05/18/2011Location(s): Morgantown, West VirginiaOffice(s): Fossil Energy, National Energy Technology Laboratory

  19. CX-012130: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Zonal Isolation Improvements for Horizontal Wells Drilled in the Marcellus Shale CX(s) Applied: A9 Date: 05/27/2014 Location(s): Texas Offices(s): National Energy Technology Laboratory

  20. CX-012142: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Zonal Isolation Improvements for Horizontal Wells Drilled in the Marcellus Shale CX(s) Applied: B3.11 Date: 05/27/2014 Location(s): Pennsylvania, Pennsylvania, Pennsylvania Offices(s): National Energy Technology Laboratory

  1. CX-005588: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Investigation of Improved Conductivity and Proppant Applications in the Bakken FormationCX(s) Applied: B3.6Date: 04/11/2011Location(s): Grand Forks, North DakotaOffice(s): Fossil Energy, National Energy Technology Laboratory

  2. CX-006579: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Access Road Improvements Along Marion-Alvey #1 and Marion-Lane #1 Transmission LinesCX(s) Applied: B1.3Date: 08/22/2011Location(s): Marion, OregonOffice(s): Bonneville Power Administration

  3. CX-010135: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Provide an Improved Heating, Ventilation and Air Conditioning System in 705-A CX(s) Applied: B1.3 Date: 03/11/2013 Location(s): South Carolina Offices(s): Savannah River Operations Office

  4. CX-011067: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Building 3 Heating, Ventilation and Air Conditioning Improvements CX(s) Applied: B2.1, B2.5 Date: 08/29/2013 Location(s): West Virginia Offices(s): National Energy Technology Laboratory

  5. CX-008942: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Site-Wide Sidewalk Improvements and Seal and Repair Pavement CX(s) Applied: B1.3 Date: 08/17/2012 Location(s): West Virginia Offices(s): National Energy Technology Laboratory

  6. CX-010246: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    South Table Mountain Denver West Parkway Improvements CX(s) Applied: A9, B1.33 Date: 03/21/2013 Location(s): Colorado Offices(s): Golden Field Office

  7. CX-012670: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Development of Self-Healing Zirconium Silicide Coatings for Improved Performance of Zirconium- Alloy Fuel Cladding – University of Wisconsin CX(s) Applied: B3.6Date: 41877 Location(s): WisconsinOffices(s): Nuclear Energy

  8. CX-011024: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Biofuels Retail Availability Improvement Network - Biodiesel Fueling Infrastructure CX(s) Applied: B5.22 Date: 09/11/2013 Location(s): Wisconsin Offices(s): National Energy Technology Laboratory

  9. CX-004156: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Fairview Department of Public Works Building ImprovementsCX(s) Applied: B5.1Date: 09/29/2010Location(s): Fairview, New JerseyOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  10. CX-003425: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Energy Reduction and Efficiency Improvement Through Lighting ControlsCX(s) Applied: B5.1Date: 08/17/2010Location(s): Bethlehem, PennsylvaniaOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  11. CX-004738: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Improved Photovoltaic Thermal Panel (IPVT)CX(s) Applied: B3.6, B3.11Date: 11/08/2010Location(s): New MexicoOffice(s): Sandia Site Office

  12. CX-006117: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Flooring ImprovementsCX(s) Applied: B2.1, B2.5Date: 06/28/2011Location(s): Morgantown, West VirginiaOffice(s): Fossil Energy, National Energy Technology Laboratory

  13. CX-011629: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Development Concept of Operations Improvement Project CX(s) Applied: B1.3, B1.16 Date: 06/05/2013 Location(s): Tennessee Offices(s): Y-12 Site Office

  14. CX-009846: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Petrophysics/Tight Rock Characterization for Improved Stimulation and Production Technology in Shales CX(s) Applied: A9, B3.6 Date: 01/30/2013 Location(s): Alabama Offices(s): National Energy Technology Laboratory

  15. CX-010987: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Improve Fuel Economy through Formulation Design and Modeling CX(s) Applied: B3.6, B5.1 Date: 09/13/2013 Location(s): Kentucky Offices(s): National Energy Technology Laboratory

  16. CX-011298: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    A Novel Lubricant Formulation Scheme for 2% Fuel Efficiency Improvement CX(s) Applied: A11, B3.6 Date: 10/10/2013 Location(s): Kentucky Offices(s): National Energy Technology Laboratory

  17. CX-010998: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Improve Fuel Economy through Formulation Design and Modeling CX(s) Applied: B3.6, B3.11, B5.1 Date: 09/13/2013 Location(s): Ohio Offices(s): National Energy Technology Laboratory

  18. CX-010986: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Improve Fuel Economy through Formulation Design and Modeling CX(s) Applied: B3.6, B5.1 Date: 09/13/2013 Location(s): Kentucky, Kentucky Offices(s): National Energy Technology Laboratory

  19. CX-011063: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    SOFC Systems with Improved Reliability and Endurance CX(s) Applied: A1, A9, B3.6 Date: 08/29/2013 Location(s): CX: none Offices(s): National Energy Technology Laboratory

  20. CX-012457: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Scalable and Cost Effective Barrier Layer Coating to Improve Stability and Performance of SOFC Cathode CX(s) Applied: A9, B3.6Date: 41877 Location(s): IllinoisOffices(s): National Energy Technology Laboratory

  1. CX-011062: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    SOFC Systems with Improved Reliability and Endurance CX(s) Applied: A1, A9 Date: 08/29/2013 Location(s): Colorado Offices(s): National Energy Technology Laboratory

  2. CX-012451: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Scalable and Cost Effective Barrier Layer Coating to Improve Stability and Performance of SOFC Cathode CX(s) Applied: A9, B3.6Date: 41877 Location(s): ConnecticutOffices(s): National Energy Technology Laboratory

  3. CX-012450: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Scalable and Cost Effective Barrier Layer Coating to Improve Stability and Performance of SOFC Cathode CX(s) Applied: A9, B3.6Date: 41877 Location(s): West VirginiaOffices(s): National Energy Technology Laboratory

  4. CX-009476: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Significant Cost Improvement of Lithium-Ion Cells CX(s) Applied: B3.6 Date: 10/09/2012 Location(s): Wisconsin Offices(s): National Energy Technology Laboratory

  5. CX-006127: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Wisconsin Biofuels Retail Availability Improvement Network (BRAIN) - Wautoma Kwik TripCX(s) Applied: B5.1Date: 06/23/2011Location(s): Wautoma, WisconsinOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  6. CX-006126: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Wisconsin Biofuels Retail Availability Improvement Network (BRAIN) - Waupaca Kwik TripCX(s) Applied: B5.1Date: 06/23/2011Location(s): Waupaca, WisconsinOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  7. CX-006183: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Wisconsin Biofuels Retail Availability Improvement Network (BRAIN) - Neenah Kwik TripCX(s) Applied: B5.1Date: 07/11/2011Location(s): Neenah, WisconsinOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  8. CX-012461: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Modified Thermoresponsive Hyperbranched Polymers for Improved Viscosity and Enhanced Lubricity of… CX(s) Applied: B3.6Date: 41877 Location(s): TennesseeOffices(s): National Energy Technology Laboratory

  9. CX-012449: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Modified Thermoresponsive Hyperbranched Polymers for Improved Viscosity and Enhanced Lubricity of… CX(s) Applied: B3.6Date: 41877 Location(s): WashingtonOffices(s): National Energy Technology Laboratory

  10. CX-012456: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Modified Thermoresponsive Hyperbranched Polymers for Improved Viscosity and Enhanced Lubricity of… CX(s) Applied: B3.6Date: 41877 Location(s): PennsylvaniaOffices(s): National Energy Technology Laboratory

  11. CX-011583: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Improving the Understanding of the Coupled Thermal-Mechanical-Hydrologic Behavior of Consolidating Granular Salt CX(s) Applied: B3.6 Date: 11/07/2013 Location(s): New Mexico Offices(s): Idaho Operations Office

  12. CX-010465: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Biofuel Retail Availability Improvement Network - Biodiesel Infrastructure Installation CX(s) Applied: B1.15, B5.1, B5.22 Date: 06/06/2013 Location(s): Wisconsin Offices(s): National Energy Technology Laboratory

  13. CX-010952: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Biofuels Retail Availability Improvement Network - Biodiesel Fueling Infrastructure CX(s) Applied: B5.22 Date: 09/17/2013 Location(s): Wisconsin Offices(s): National Energy Technology Laboratory

  14. CX-010449: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Biofuel Retail Availability Improvement Network - Biodiesel Infrastructure Installation CX(s) Applied: B5.22 Date: 06/17/2013 Location(s): Wisconsin Offices(s): National Energy Technology Laboratory

  15. CX-010450: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Biofuel Retail Availability Improvement Network - Biodiesel Infrastructure Installation CX(s) Applied: B5.22 Date: 06/17/2013 Location(s): Wisconsin Offices(s): National Energy Technology Laboratory

  16. CX-012691: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Development of Novel Functional Graded Transition Joints for Improving the Creep Strength of Dissimilar Metal Welds in Nuclear Applications – Lehigh University CX(s) Applied: B3.6Date: 41869 Location(s): PennsylvaniaOffices(s): Nuclear Energy

  17. CX-009845: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Petrophysics/Tight Rock Characterization for Improved Stimulation and Production Technology in Shales CX(s) Applied: A9, B3.6 Date: 01/30/2013 Location(s): Oklahoma Offices(s): National Energy Technology Laboratory

  18. CX-009844: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Petrophysics/Tight Rock Characterization for Improved Stimulation and Production Technology in Shales CX(s) Applied: A9, B3.6 Date: 01/30/2013 Location(s): Alabama Offices(s): National Energy Technology Laboratory

  19. CX-011311: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Biofuels Retail Availability Improvement Network - E85 Infrastructure Installation CX(s) Applied: B5.22 Date: 10/07/2013 Location(s): Wisconsin Offices(s): National Energy Technology Laboratory

  20. CX-011310: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Biofuels Retail Availability Improvement Network - E85 Infrastructure Installation CX(s) Applied: B5.22 Date: 10/07/2013 Location(s): Wisconsin Offices(s): National Energy Technology Laboratory

  1. CX-004280: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Characterizing Stimulation Domains for Improved Well Completions in Gas ShalesCX(s) Applied: A9Date: 10/18/2010Location(s): Albuquerque, New MexicoOffice(s): Fossil Energy, National Energy Technology Laboratory

  2. CX-004282: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Characterizing Stimulation Domains for Improved Well Completions in Gas ShalesCX(s) Applied: A9Date: 10/18/2010Location(s): Houston, TexasOffice(s): Fossil Energy, National Energy Technology Laboratory

  3. CX-004279: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Characterizing Stimulation Domains for Improved Well Completions in Gas ShalesCX(s) Applied: A9Date: 10/18/2010Location(s): Houston, TexasOffice(s): Fossil Energy, National Energy Technology Laboratory

  4. CX-004281: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Characterizing Stimulation Domains for Improved Well Completions in Gas ShalesCX(s) Applied: A9Date: 10/18/2010Location(s): Tulsa, OklahomaOffice(s): Fossil Energy, National Energy Technology Laboratory

  5. CX-005814: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Characterizing Stimulation Domains for Improved Well Completions in Gas ShalesCX(s) Applied: A9Date: 05/13/2011Location(s): Salt Lake City, UtahOffice(s): Fossil Energy, National Energy Technology Laboratory

  6. CX-012125: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Pressure Prediction and Hazard Avoidance Through Improved Seismic Imaging CX(s) Applied: A1, A9, A11 Date: 05/29/2014 Location(s): Oklahoma Offices(s): National Energy Technology Laboratory

  7. CX-012161: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Pressure Prediction and Hazard Avoidance Through Improved Seismic Imaging CX(s) Applied: A1, A9, A11 Date: 05/29/2014 Location(s): Massachusetts Offices(s): National Energy Technology Laboratory

  8. CX-012124: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Pressure Prediction and Hazard Avoidance Through Improved Seismic Imaging CX(s) Applied: A1, A9, A11 Date: 05/29/2014 Location(s): Massachusetts Offices(s): National Energy Technology Laboratory

  9. CX-007506: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Record of Categorical Exclusion for Bryan Mound Building BE-2 Drainage Improvements and Foundation Repair CX(s) Applied: B1.3 Date: 11/16/2011 Location(s): Texas Offices(s): Strategic Petroleum Reserve Field Office

  10. CX-000514: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    H-4 Seepage Basin Drainage ImprovementsCX(s) Applied: B6.1Date: 08/11/2009Location(s): Aiken, South CarolinaOffice(s): Environmental Management, Savannah River Operations Office

  11. CX-003393: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Updating the Improved Guidelines for Solving Ash Deposition Problems in Utility Boilers ReportCX(s) Applied: A9Date: 08/11/2010Location(s): Grand Forks, North DakotaOffice(s): Fossil Energy, National Energy Technology Laboratory

  12. CX-005464: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Joining Technology for the Improved Solar Cell Module ManufacturingCX(s) Applied: B3.6Date: 03/14/2011Location(s): Lansdale, PennsylvaniaOffice(s): Energy Efficiency and Renewable Energy, National Energy Technology Laboratory

  13. CX-011124: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Technology Innovations to Improve Biomass Cookstoves to Meet Tier 4 Standards CX(s) Applied: A9, B3.6 Date: 08/21/2013 Location(s): Oregon Offices(s): Golden Field Office

  14. CX-000008: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Raver-Paul #1 Access Road Improvement and Bridge ReplacementCX(s) Applied: B1.3Date: 11/02/2009Location(s): Pierce County, WashingtonOffice(s): Bonneville Power Administration

  15. CX-010689: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Generic CX Determination for Financial Assistance Awards CX(s) Applied: Unknown Date: 07/17/2013 Location(s): Illinois Offices(s): Chicago Office

  16. CX-012200: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    Determination of Excess Real Property CX(s) Applied: B1.36 Date: 05/01/2014 Location(s): Colorado Offices(s): Legacy Management

  17. Superconducting structure

    DOE Patents [OSTI]

    Kwon, Chuhee (Los Alamos, NM); Jia, Quanxi (Los Alamos, NM); Foltyn, Stephen R. (Los Alamos, NM)

    2003-04-01T23:59:59.000Z

    A superconductive structure including a dielectric oxide substrate, a thin buffer layer of a superconducting material thereon; and, a layer of a rare earth-barium-copper oxide superconducting film thereon the thin layer of yttrium-barium-copper oxide, the rare earth selected from the group consisting of samarium, gadolinium, ytterbium, erbium, neodymium, dysprosium, holmium, lutetium, a combination of more than one element from the rare earth group and a combination of one or more elements from the rare earth group with yttrium, the buffer layer of superconducting material characterized as having chemical and structural compatibility with the dielectric oxide substrate and the rare earth-barium-copper oxide superconducting film is provided.

  18. Terminal structure

    DOE Patents [OSTI]

    Schmidt, Frank (Langenhagen, DE); Allais, Arnaud (Hannover, DE); Mirebeau, Pierre (Villebon sur Yvette, FR); Ganhungu, Francois (Vieux-Reng, FR); Lallouet, Nicolas (Saint Martin Boulogne, FR)

    2009-10-20T23:59:59.000Z

    A terminal structure (2) for a superconducting cable (1) is described. It consists of a conductor (2a) and an insulator (2b) that surrounds the conductor (2a), wherein the superconducting cable (1) has a core with a superconducting conductor (5) and a layer of insulation that surrounds the conductor (5), and wherein the core is arranged in such a way that it can move longitudinally in a cryostat. The conductor (2a) of the terminal structure (2) is electrically connected with the superconducting conductor (5) or with a normal conductor (6) that is connected with the superconducting conductor (5) by means of a tubular part (7) made of an electrically conductive material, wherein the superconducting conductor (5) or the normal conductor (6) can slide in the part (7) in the direction of the superconductor.

  19. Superconducting Structure

    DOE Patents [OSTI]

    Kwon, Chuhee (Los Alamos, NM); Jia, Quanxi (Los Alamos, NM); Foltyn, Stephen R. (Los Alamos, NM)

    2005-09-13T23:59:59.000Z

    A superconductive structure including a dielectric oxide substrate, a thin buffer layer of a superconducting material thereon; and, a layer of a rare earth-barium-copper oxide superconducting film thereon the thin layer of yttrium-barium-copper oxide, the rare earth selected from the group consisting of samarium, gadolinium, ytterbium, erbium, neodymium, dysprosium, holmium, lutetium, a combination of more than one element from the rare earth group and a combination of one or more elements from the rare earth group with yttrium, the buffer layer of superconducting material characterized as having chemical and structural compatibility with the dielectric oxide substrate and the rare earth-barium-copper oxide superconducting film is provided.

  20. Overview of Hanford Single Shell Tank (SST) Structural Integrity

    SciTech Connect (OSTI)

    Rast, Richard S. [Washington River Protection Systems, Richland, WA (United States); Washenfelder, Dennis J. [Washington River Protection Systems, Richland, WA (United States); Johnson, Jeremy M. [USDOE Office of River Protection, Richland, WA (United States)

    2013-11-14T23:59:59.000Z

    To improve the understanding of the single-shell tanks (SSTs) integrity, Washington River Protection Solutions, LLC (WRPS), the USDOE Hanford Site tank contractor, developed an enhanced Single-Shell Tank Integrity Project (SSTIP) in 2009. An expert panel on SST integrity, consisting of various subject matters experts in industry and academia, was created to provide recommendations supporting the development of the project. This panel developed 33 recommendations in four main areas of interest: structural integrity, liner degradation, leak integrity and prevention, and mitigation of contamination migration, Seventeen of these recommendations were used to develop the basis for the M-45-10-1 Change Package for the Hanford Federal Agreement and Compliance Order, which is also known as the Tri-Party Agreement. The structural integrity of the tanks is a key element in completing the cleanup mission at the Hanford Site. There are eight primary recommendations related to the structural integrity of Hanford Single-Shell Tanks. Six recommendations are being implemented through current and planned activities. The structural integrity of the Hanford is being evaluated through analysis, monitoring, inspection, materials testing, and construction document review. Structural evaluation in the form of analysis is performed using modern finite element models generated in ANSYS. The analyses consider in-situ, thermal, operating loads and natural phenomena such as earthquakes. Structural analysis of 108 of 149 Hanford Single-Shell Tanks has concluded that the tanks are structurally sound and meet current industry standards. Analysis of the remaining Hanford Single-Shell Tanks is scheduled for FY2014. Hanford Single-Shell Tanks are monitored through a dome deflection program. The program looks for deflections of the tank dome greater than 1/4 inch. No such deflections have been recorded. The tanks are also subjected to visual inspection. Digital cameras record the interior surface of the concrete tanks, looking for cracks and other surface conditions that may indicate signs of structural distress. The condition of the concrete and rebar of the Hanford Single-Shell Tanks is currently being tested and planned for additional activities in the near future. Concrete and rebar removed from the dome of a 65 year old tank was tested for mechanics properties and condition. Results indicated stronger than designed concrete with additional Petrographic examination and rebar completed. Material properties determined from previous efforts combined with current testing and construction document review will help to generate a database that will provide indication of Hanford Single-Shell Tank structural integrity.

  1. Ligand placement based on prior structures: the guided ligand-replacement method

    SciTech Connect (OSTI)

    Klei, Herbert E. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Bristol-Myers Squibb, Princeton, NJ 08543-4000 (United States); Moriarty, Nigel W., E-mail: nwmoriarty@lbl.gov; Echols, Nathaniel [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Terwilliger, Thomas C. [Los Alamos National Laboratory, Los Alamos, NM 87545-0001 (United States); Baldwin, Eric T. [Bristol-Myers Squibb, Princeton, NJ 08543-4000 (United States); Natural Discovery LLC, Princeton, NJ 08542-0096 (United States); Pokross, Matt; Posy, Shana [Bristol-Myers Squibb, Princeton, NJ 08543-4000 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); University of California at Berkeley, Berkeley, CA 94720-1762 (United States)

    2014-01-01T23:59:59.000Z

    A new module, Guided Ligand Replacement (GLR), has been developed in Phenix to increase the ease and success rate of ligand placement when prior protein-ligand complexes are available. The process of iterative structure-based drug design involves the X-ray crystal structure determination of upwards of 100 ligands with the same general scaffold (i.e. chemotype) complexed with very similar, if not identical, protein targets. In conjunction with insights from computational models and assays, this collection of crystal structures is analyzed to improve potency, to achieve better selectivity and to reduce liabilities such as absorption, distribution, metabolism, excretion and toxicology. Current methods for modeling ligands into electron-density maps typically do not utilize information on how similar ligands bound in related structures. Even if the electron density is of sufficient quality and resolution to allow de novo placement, the process can take considerable time as the size, complexity and torsional degrees of freedom of the ligands increase. A new module, Guided Ligand Replacement (GLR), was developed in Phenix to increase the ease and success rate of ligand placement when prior protein–ligand complexes are available. At the heart of GLR is an algorithm based on graph theory that associates atoms in the target ligand with analogous atoms in the reference ligand. Based on this correspondence, a set of coordinates is generated for the target ligand. GLR is especially useful in two situations: (i) modeling a series of large, flexible, complicated or macrocyclic ligands in successive structures and (ii) modeling ligands as part of a refinement pipeline that can automatically select a reference structure. Even in those cases for which no reference structure is available, if there are multiple copies of the bound ligand per asymmetric unit GLR offers an efficient way to complete the model after the first ligand has been placed. In all of these applications, GLR leverages prior knowledge from earlier structures to facilitate ligand placement in the current structure.

  2. Strategies and Project Delivery Methods for Captial Improvement Projects

    E-Print Network [OSTI]

    White, D.

    2014-01-01T23:59:59.000Z

    Conference, Dallas, Texas Nov. 18-20 Access to Capital FUNDING/FINANCING OPTION PUBLIC AGENCY PRIVATE COMPANY Utility Rebates X X Incentives X X Tax Exempt Bonds X Not for Profit only KOs X LoanSTAR X Tax Exempt Lease X Commercial Loans X X Shared Savings... of selected improvement measures • Establish energy baseline • Pursue grants and rebates, secure financing • Complete construction schedule • Determine commissioning and M&V plan • Select and manage subcontractors • Secure permits • Procure...

  3. Experimental Study of Nucleon Structure and QCD

    SciTech Connect (OSTI)

    Jian-Ping Chen

    2012-03-01T23:59:59.000Z

    Overview of Experimental Study of Nucleon Structure and QCD, with focus on the spin structure. Nucleon (spin) Structure provides valuable information on QCD dynamics. A decade of experiments from JLab yields these exciting results: (1) valence spin structure, duality; (2) spin sum rules and polarizabilities; (3) precision measurements of g{sub 2} - high-twist; and (4) first neutron transverse spin results - Collins/Sivers/A{sub LT}. There is a bright future as the 12 GeV Upgrade will greatly enhance our capability: (1) Precision determination of the valence quark spin structure flavor separation; and (2) Precision extraction of transversity/tensor charge/TMDs.

  4. Determination for the 2006 International Energy Conservation Code, Residential Buildings – Technical Support Document

    SciTech Connect (OSTI)

    Lucas, Robert G.

    2009-09-26T23:59:59.000Z

    Provides a technical analysis showing that the 2006 International Energy Conservation Code contains improvements in energy efficiency compared to its predecessor, the 2003 International Energy Conservation Code. DOE is required by law to issue "determinations" of whether or not new editions of the IECC improve energy efficiency.

  5. GEET DUGGAL Algorithms for Determining

    E-Print Network [OSTI]

    Relationship to Gene Regulation Final Public Oral Examination Doctor of Philosophy Recent genome sequencing. Analyses from them have shown that the 3D structure of DNA may be closely linked to genome functions structure of DNA and genome function on the scale of the whole genome. Specifically, we designed algorithms

  6. Improving Strategies via SMT Solving

    E-Print Network [OSTI]

    Gawlitza, Thomas Martin

    2011-01-01T23:59:59.000Z

    We consider the problem of computing numerical invariants of programs by abstract interpretation. Our method eschews two traditional sources of imprecision: (i) the use of widening operators for enforcing convergence within a finite number of iterations (ii) the use of merge operations (often, convex hulls) at the merge points of the control flow graph. It instead computes the least inductive invariant expressible in the domain at a restricted set of program points, and analyzes the rest of the code en bloc. We emphasize that we compute this inductive invariant precisely. For that we extend the strategy improvement algorithm of [Gawlitza and Seidl, 2007]. If we applied their method directly, we would have to solve an exponentially sized system of abstract semantic equations, resulting in memory exhaustion. Instead, we keep the system implicit and discover strategy improvements using SAT modulo real linear arithmetic (SMT). For evaluating strategies we use linear programming. Our algorithm has low polynomial s...

  7. First JAM results on the determination of polarized parton distributions

    SciTech Connect (OSTI)

    Accardi, Alberto [Hampton Univ., VA and JLAB, Newport News, VA (United States); Jimenez-Delgado, Pedro [JLAB, Newport News, VA (United States); Melnitchouk, Wally [JLAB, Newport News, VA (United States)

    2014-01-01T23:59:59.000Z

    The Jefferson Lab Angular Momentum (JAM) Collaboration is a new initiative to study the angular momentum dependent structure of the nucleon. First results on the determination of spin-dependent parton distribution functions at intermediate and large x from world data on polarized deep-inelastic scattering are presented. Different aspects of global QCD analysis are discussed, including the effects of nuclear structure of deuterium and {sup 3}He targets, target mass corrections and higher twist contributions to the g{sub 1} and g{sub 2} structure functions.

  8. Structural information extracted from the diffraction of XFEL fs-pulses in a crystal

    E-Print Network [OSTI]

    Leonov, A; Benediktovitch, A; Feranchuk, I; Pietsch, U

    2015-01-01T23:59:59.000Z

    We present a theoretical justification for a method of extracting of supplementary information for the phase retrieval procedure taken from diffraction of fs-pulses from X-ray Free Electron Laser facilities. The approach is based on numerical simulation of the dynamics of the electron density in the crystal composed of different atoms in the unit cell, namely a bi-atomic crystal containing heavy and light atoms. It is shown that evaluation of diffraction intensities measured by means of different values of XFEL pulse parameters enables to find absolute values of structure factors for both types of atoms and their relative phase. The accuracy of structural information is discussed in terms of fluctuations of the evaluated atomic scattering factors. Our approach could be important for improvement of phase retrieval methods with respect to a more efficient determination of atomic positions within the unit cell of macromolecules.

  9. Process Improvement at Army Installations

    E-Print Network [OSTI]

    Northrup, J.; Smith, E. D.; Lin, M.; Baird, J.

    recommendations are for the Fill and Press line where most of the Level I focused LESSONS LEARNED On completion of the project, the researchers assessed the results and some of the 198 ESL-IE-97-04-31 Proceedings from the Nineteenth Industrial Energy.... Finally, the energy issues included initiate an energy team; install energy efficient lighting; and decommission unused steam lines. After the first cost, savings, and simple payback time was calculated for all of the proposed improvements, a...

  10. Improving the performance of BITNET

    E-Print Network [OSTI]

    Ku, Chih-Hsiung

    1989-01-01T23:59:59.000Z

    diff'erent heuristics have been adopted to design large and distributed computer networks. The cut-saturation heuristic has been shown to be a, very ef- ficient method for topological design. In this thesis, the cut-saturation heunst&c is employed... to improve the performance of BITNET. In addition, a topology con- straint (retention of BITNET connectivitv) is also adopted. The traditionai cut-saturation heuristic as reported in the literature uses a single capacity for simplicity. A combination...

  11. JOB DESCRIPTION Title: Continuous Improvement Specialist

    E-Print Network [OSTI]

    Heller, Barbara

    or Six Sigma-based continuous improvement methods. Certification: Six Sigma Black Belt or Green Belt

  12. Ordered iron aluminide alloys having an improved room-temperature ductility and method thereof

    DOE Patents [OSTI]

    Sikka, Vinod K. (Clinton, TN)

    1992-01-01T23:59:59.000Z

    A process is disclosed for improving the room temperature ductility and strength of iron aluminide intermetallic alloys. The process involves thermomechanically working an iron aluminide alloy by means which produce an elongated grain structure. The worked alloy is then heated at a temperature in the range of about 650.degree. C. to about 800.degree. C. to produce a B2-type crystal structure. The alloy is rapidly cooled in a moisture free atmosphere to retain the B2-type crystal structure at room temperature, thus providing an alloy having improved room temperature ductility and strength.

  13. Determination

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    consisting of AZ road dust and soot in acetonitrile carrier solvent was sprayed onto glass coupons at very brief intervals with a high volume, low pressure pneumatic sprayer....

  14. IMPROVING PERFORMANCE INTERVIEW: Steve Ferencie

    E-Print Network [OSTI]

    or innovate their business model. MMS: Are there specific impacts on midsize organizations? SF aligned is the IT organization and IT resource allocation with the business strategy? Second, what and efficient IT structure that, again, allows the business to operate more efficiently but also react

  15. Method of determining glass durability

    DOE Patents [OSTI]

    Jantzen, C.M.; Pickett, J.B.; Brown, K.G.; Edwards, T.B.

    1998-12-08T23:59:59.000Z

    A process is described for determining one or more leachate concentrations of one or more components of a glass composition in an aqueous solution of the glass composition by identifying the components of the glass composition, including associated oxides, determining a preliminary glass dissolution estimator, {Delta}G{sub p}, based upon the free energies of hydration for the component reactant species, determining an accelerated glass dissolution function, {Delta}G{sub a}, based upon the free energy associated with weak acid dissociation, {Delta}G{sub a}{sup WA}, and accelerated matrix dissolution at high pH, {Delta}G{sub a}{sup SB} associated with solution strong base formation, and determining a final hydration free energy, {Delta}G{sub f}. This final hydration free energy is then used to determine leachate concentrations for elements of interest using a regression analysis and the formula log{sub 10}(N C{sub i}(g/L))=a{sub i} + b{sub i}{Delta}G{sub f}. The present invention also includes a method to determine whether a particular glass to be produced will be homogeneous or phase separated. The present invention is also directed to methods of monitoring and controlling processes for making glass using these determinations to modify the feedstock materials until a desired glass durability and homogeneity is obtained. 4 figs.

  16. Method of determining glass durability

    DOE Patents [OSTI]

    Jantzen, Carol Maryanne (Aiken, SC); Pickett, John Butler (Aiken, SC); Brown, Kevin George (Augusta, GA); Edwards, Thomas Barry (Aiken, SC)

    1998-01-01T23:59:59.000Z

    A process for determining one or more leachate concentrations of one or more components of a glass composition in an aqueous solution of the glass composition by identifying the components of the glass composition, including associated oxides, determining a preliminary glass dissolution estimator, .DELTA.G.sub.p, based upon the free energies of hydration for the component reactant species, determining an accelerated glass dissolution function, .DELTA.G.sub.a, based upon the free energy associated with weak acid dissociation, .DELTA.G.sub.a.sup.WA, and accelerated matrix dissolution at high pH, .DELTA.G.sub.a.sup.SB associated with solution strong base formation, and determining a final hydration free energy, .DELTA.G.sub.f. This final hydration free energy is then used to determine leachate concentrations for elements of interest using a regression analysis and the formula log.sub.10 (N C.sub.i (g/L))=a.sub.i +b.sub.i .DELTA.G.sub.f. The present invention also includes a method to determine whether a particular glass to be produced will be homogeneous or phase separated. The present invention is also directed to methods of monitoring and controlling processes for making glass using these determinations to modify the feedstock materials until a desired glass durability and homogeneity is obtained.

  17. Determination of Atomic Data Pertinent to the Fusion Energy Program

    SciTech Connect (OSTI)

    Reader, J.

    2013-06-11T23:59:59.000Z

    We summarize progress that has been made on the determination of atomic data pertinent to the fusion energy program. Work is reported on the identification of spectral lines of impurity ions, spectroscopic data assessment and compilations, expansion and upgrade of the NIST atomic databases, collision and spectroscopy experiments with highly charged ions on EBIT, and atomic structure calculations and modeling of plasma spectra.

  18. Determining the Overpotential for a Molecular Electrocatalyst

    SciTech Connect (OSTI)

    Appel, Aaron M.; Helm, Monte L.

    2014-02-07T23:59:59.000Z

    “The additional potential (beyond the thermodynamic requirement) needed to drive a reaction at a certain rate is called the overpotential.”1 Over the last decade there has been considerable interest in the design and testing of molecular electrocatalysis for the interconversion of renewable energy and chemical fuels.2-5 One of the primary motivations for such research is the replacement of expensive and rare precious metal catalysts, such as platinum, with cheaper, more abundant metals.2,6-8 To become competitive with current electrocatalytic energy conversion technologies, new catalysts must be robust, fast, and energy-efficient. This last feature, the energy-efficiency, is dependent upon the overpotential. For molecular catalysts, the determination and reporting of overpotentials can be complicated by the frequent dependence on assumptions, especially when working in nonaqueous solvents. As overpotentials become lower, the meaningful comparison of molecular catalysts will require improved accuracy and precision. The intended purpose of this viewpoint is to provide a clear and concise description of overpotential and recommendation for its determination in molecular electrocatalysis. This material is based upon work supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences.

  19. Improved Biomass Cooking Stoves and Improved Stove Emission Equipment

    SciTech Connect (OSTI)

    HATFIELD, MICHAEL; Still, Dean

    2013-04-15T23:59:59.000Z

    In developing countries, there is an urgent need for access to safe, efficient, and more affordable cooking technologies. Nearly 2.5 billion people currently use an open fire or traditional cookstove to prepare their meals, and recent models predict that use of biomass for cooking will continue to be the dominant energy use in rural, resource-poor households through 2030. For these families, cooking poses serious risks to health, safety, and income. An alarming 4 million people, primarily women and children, die prematurely each year from indoor and outdoor exposure to the harmful emissions released by solid fuel combustion. Use of traditional stoves can also have a significant impact on deforestation and climate change. This dire situation creates a critical need for cookstoves that significantly and verifiably reduce fuel use and emissions in order to reach protective levels for human health and the environment. Additionally, advances in the scientific equipment needed to measure and monitor stove fuel use and emissions have not kept pace with the significant need within the industry. While several testing centers in the developed world may have hundred thousand-dollar emissions testing systems, organizations in the field have had little more than a thermometer, a scale, and subjective observations to quantify the performance of stove designs. There is an urgent need for easy-to-use, inexpensive, accurate, and robust stove testing equipment for use by laboratory and field researchers around the world. ASAT and their research partner, Aprovecho Research Center (ARC), have over thirty years of experience addressing these two needs, improved cookstoves and emissions monitoring equipment, with expertise spanning the full spectrum of development from conceptual design to product manufacturing and dissemination. This includes: 1) research, design, and verification of clean biomass cookstove technology and emissions monitoring equipment; 2) mass production of quality-controlled stove and emissions equipment at levels scalable to meet global demand; and 3) global distribution through a variety of channels and partners. ARC has been instrumental in designing and improving more than 100 stove designs over the past thirty years. In the last four years, ASAT and ARC have played a key role in the production and sales of over 200,000 improved stoves in the developed and developing world. The ARC-designed emissions equipment is currently used by researchers in laboratories and field studies on five continents. During Phase I of the DOE STTR grant, ASAT and ARC worked together to apply their wealth of product development experience towards creating the next generation of improved cookstoves and emissions monitoring equipment. Highlights of Phase I for the biomass cookstove project include 1) the development of several new stove technologies that reached the DOE 50/90 benchmark; 2) fabrication of new stove prototypes by ASAT’s manufacturing partner, Shengzhou Stove Manufacturing (SSM); 3) field testing of prototype stoves with consumers in Puerto Rico and the US; and 4) the selection of three stove prototypes for further development and commercialization during Phase II. Highlights of Phase I for the emissions monitoring equipment project include: 1) creation of a new emissions monitoring equipment product, the Laboratory Emissions Monitoring System (LEMS 2) the addition of gravimetric PM measurements to the stove testing systems to meet International Standards Organization criteria; 3) the addition of a CO{sub 2} sensor and wireless 3G capability to the IAP Meter; and 4) and the improvement of sensors and signal quality on all systems. Twelve Regional Testing and Knowledge Centers purchased this equipment during the Phase I project period.

  20. Rational Mutagenesis to Support Structure-based Drug Design: MAPKAP Kinase 2 as a Case Study

    SciTech Connect (OSTI)

    M Argiriadi; S Sousa; D Banach; D Marcotte; T Xiang; M Tomlinson; M Demers; C Harris; S Kwak; et al.

    2011-12-31T23:59:59.000Z

    Structure-based drug design (SBDD) can provide valuable guidance to drug discovery programs. Robust construct design and expression, protein purification and characterization, protein crystallization, and high-resolution diffraction are all needed for rapid, iterative inhibitor design. We describe here robust methods to support SBDD on an oral anti-cytokine drug target, human MAPKAP kinase 2 (MK2). Our goal was to obtain useful diffraction data with a large number of chemically diverse lead compounds. Although MK2 structures and structural methods have been reported previously, reproducibility was low and improved methods were needed. Our construct design strategy had four tactics: N- and C-terminal variations; entropy-reducing surface mutations; activation loop deletions; and pseudoactivation mutations. Generic, high-throughput methods for cloning and expression were coupled with automated liquid dispensing for the rapid testing of crystallization conditions with minimal sample requirements. Initial results led to development of a novel, customized robotic crystallization screen that yielded MK2/inhibitor complex crystals under many conditions in seven crystal forms. In all, 44 MK2 constructs were generated, {approx}500 crystals were tested for diffraction, and {approx}30 structures were determined, delivering high-impact structural data to support our MK2 drug design effort. Key lessons included setting reasonable criteria for construct performance and prioritization, a willingness to design and use customized crystallization screens, and, crucially, initiation of high-throughput construct exploration very early in the drug discovery process.