Sample records for ii structural model

  1. First Structure Formation: II. Cosmic String + Hot Dark Matter Models

    E-Print Network [OSTI]

    Tom Abel; Albert Stebbins; Peter Anninos; Michael L. Norman

    1997-06-26T23:59:59.000Z

    We examine the structure of baryonic wakes in the cosmological fluid which would form behind GUT-scale cosmic strings at early times (redshifts z > 100) in a neutrino-dominated universe. We show, using simple analytical arguments as well as 1- and 2-dimensional hydrodynamical simulations, that these wakes will NOT be able to form interesting cosmological objects before the neutrino component collapses. The width of the baryonic wakes (< 10 kpc comoving) is smaller than the scale of wiggles on the strings and are probably not enhanced by the wiggliness of the string network.

  2. Modeling direct interband tunneling. II. Lower-dimensional structures

    SciTech Connect (OSTI)

    Pan, Andrew, E-mail: pandrew@ucla.edu [Department of Electrical Engineering, University of California, Los Angeles, Los Angeles, California 90095 (United States); Chui, Chi On [Department of Electrical Engineering, University of California, Los Angeles, Los Angeles, California 90095 (United States); California NanoSystems Institute, University of California, Los Angeles, Los Angeles, California 90095 (United States)

    2014-08-07T23:59:59.000Z

    We investigate the applicability of the two-band Hamiltonian and the widely used Kane analytical formula to interband tunneling along unconfined directions in nanostructures. Through comparisons with k·p and tight-binding calculations and quantum transport simulations, we find that the primary correction is the change in effective band gap. For both constant fields and realistic tunnel field-effect transistors, dimensionally consistent band gap scaling of the Kane formula allows analytical and numerical device simulations to approximate non-equilibrium Green's function current characteristics without arbitrary fitting. This allows efficient first-order calibration of semiclassical models for interband tunneling in nanodevices.

  3. Electronic Structure of Nickel(II) and Zinc(II) Borohydrides from Spectroscopic Measurements and Computational Modeling

    E-Print Network [OSTI]

    Weston, Ken

    Electronic Structure of Nickel(II) and Zinc(II) Borohydrides from Spectroscopic Measurements materials for solid phase hydrogen storage. In some cases, nickel and other transition metals can play a role in the catalytic decomposition of these solid phase hydrides.6 Nickel exhibits rich and varied

  4. A Structure-Based Model of Energy Transfer Reveals the Principles of Light Harvesting in Photosystem II Supercomplexes

    E-Print Network [OSTI]

    Fleming, Graham R.

    in Photosystem II Supercomplexes Doran I. G. Bennett, Kapil Amarnath, and Graham R. Fleming* Department

  5. CSC6870 Computer Graphics II Geometric Modeling

    E-Print Network [OSTI]

    Hua, Jing

    CSC6870 Computer Graphics II Geometric Modeling CSC6870 Computer Graphics II Overview 3D Shape, subdivision surfaces, implicit surfaces, particles. · Solids CSC6870 Computer Graphics II Basic Shapes CSC6870 Computer Graphics II Fundamental Shapes CSC6870 Computer Graphics II Fundamental Shapes CSC6870 Computer

  6. Microbial Lithotrophic Oxidation of Structural Fe(II) in Biotite...

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

    of weathering. Here we show that a lithotrophic Fe(II)-oxidizing, nitrate-reducing enrichment culture (Straub, 6 1996) can grow via oxidation of structural Fe(II) in biotite, a...

  7. 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

    in structural stiffness for the IASC-ASCE Structural Health Monitoring Task Group Benchmark problem for both Phase I and II. The research focuses primarily on Phase II of the benchmark problem. In Phase II, modeling error and noise is introduced to the problem...

  8. GAUSS-MANIN SYSTEMS, BRIESKORN LATTICES AND FROBENIUS STRUCTURES (II)

    E-Print Network [OSTI]

    Sabbah, Claude

    GAUSS-MANIN SYSTEMS, BRIESKORN LATTICES AND FROBENIUS STRUCTURES (II) by Antoine Douai & Claude Sabbah Dedicated to Yuri Manin Abstract. -- We give an explicit description of the canonical Frobenius Gauss-Manin, r´eseaux de Brieskorn et structures de Frobenius (II)) Nous donnons une description

  9. Giant Protease TPP II's Structure, Mechanism Uncovered

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

    proteins (a protease), is implicated in numerous cellular processes including the degradation of the endogenous satiety agent cholecystokinin-8, making TPP II a target in the...

  10. Giant Protease TPP II's Structure, Mechanism Uncovered

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

    endogenous satiety agent cholecystokinin-8, making TPP II a target in the treatment of obesity. To gain insight into this molecular machine's mechanisms of activation and...

  11. II. Properties of Water 1. Ice and Liquid water structure

    E-Print Network [OSTI]

    Frey, Terry

    Heat Capacity 4. Solvent Properties 5. Dissociation: Acids & Bases / pH II. Organic Chemistry A transport in plants #12;Water has a high specific heat capacity specific heat capacity = amount of energyII. Properties of Water 1. Ice and Liquid water structure 2. Cohesion / Surface Tension 3. High

  12. First Structural Steel Erected at NSLS-II

    ScienceCinema (OSTI)

    None

    2010-01-08T23:59:59.000Z

    Ten steel columns were incorporated into the ever-growing framework for the National Synchrotron Light Source II last week, the first structural steel erected for the future 400,000-square-foot facility.

  13. Modeling of a Foamed Emulsion Bioreactor: II. Model Parametric Sensitivity

    E-Print Network [OSTI]

    ARTICLE Modeling of a Foamed Emulsion Bioreactor: II. Model Parametric Sensitivity Eunsung Kan: The sensitivity of a conceptual model of a foam emulsion bioreactor (FEBR) used for the control of toluene vapors mass transfer and kinetic limitations can coexist in the bioreactor system. These results will help

  14. Modeling of Alpine Atmospheric Dynamics II

    E-Print Network [OSTI]

    Gohm, Alexander

    : mesoscale convective system 17-18 April 2004: Sierra hydraulic jump case 21 January 2005: the "Universiade) Results and discussion (synoptic scale overview, mesoscale structure, comparison of model and measurements

  15. Modelling intonational structure using hidden markov models

    E-Print Network [OSTI]

    Wright, Helen; Taylor, Paul A

    1997-01-01T23:59:59.000Z

    A method is introduced for using hidden Markov models (HMMs) to model intonational structure. HMMs are probabilistic and can capture the variability in structure which previous finite state network models lack. We show ...

  16. Phase-space structures II: Hierarchical Structure Finder

    E-Print Network [OSTI]

    M. Maciejewski; S. Colombi; V. Springel; C. Alard; F. R. Bouchet

    2008-12-01T23:59:59.000Z

    A new multi-dimensional Hierarchical Structure Finder (HSF) to study the phase-space structure of dark matter in N-body cosmological simulations is presented. The algorithm depends mainly on two parameters, which control the level of connectivity of the detected structures and their significance compared to Poisson noise. By working in 6D phase-space, where contrasts are much more pronounced than in 3D position space, our HSF algorithm is capable of detecting subhaloes including their tidal tails, and can recognise other phase-space structures such as pure streams and candidate caustics. If an additional unbinding criterion is added, the algorithm can be used as a self-consistent halo and subhalo finder. As a test, we apply it to a large halo of the Millennium Simulation, where 19 % of the halo mass are found to belong to bound substructures, which is more than what is detected with conventional 3D substructure finders, and an additional 23-36 % of the total mass belongs to unbound HSF structures. The distribution of identified phase-space density peaks is clearly bimodal: high peaks are dominated by the bound structures and low peaks belong mostly to tidal streams. In order to better understand what HSF provides, we examine the time evolution of structures, based on the merger tree history. Bound structures typically make only up to 6 orbits inside the main halo. Still, HSF can identify at the present time at least 80 % of the original content of structures with a redshift of infall as high as z space.

  17. Structural system identification: Structural dynamics model validation

    SciTech Connect (OSTI)

    Red-Horse, J.R.

    1997-04-01T23:59:59.000Z

    Structural system identification is concerned with the development of systematic procedures and tools for developing predictive analytical models based on a physical structure`s dynamic response characteristics. It is a multidisciplinary process that involves the ability (1) to define high fidelity physics-based analysis models, (2) to acquire accurate test-derived information for physical specimens using diagnostic experiments, (3) to validate the numerical simulation model by reconciling differences that inevitably exist between the analysis model and the experimental data, and (4) to quantify uncertainties in the final system models and subsequent numerical simulations. The goal of this project was to develop structural system identification techniques and software suitable for both research and production applications in code and model validation.

  18. Reasoning with Continuations II: Full Abstraction for Models of Control Dorai Sitaram and Matthias Felleisen \\Lambda

    E-Print Network [OSTI]

    about extended functional lan­ guages with sophisticated control structures. We show that a direct modelReasoning with Continuations II: Full Abstraction for Models of Control Dorai Sitaram and Matthias with first­ and higher­order control facilities, respectively. Fur­ thermore, both models become fully

  19. Incommensurate composite crystal structure of scandium-II

    SciTech Connect (OSTI)

    Fujihisa, Hiroshi; Gotoh, Yoshito; Yamawaki, Hiroshi; Sakashita, Mami; Takeya, Satoshi; Honda, Kazumasa [National Institute of Advanced Industrial Science and Technology (AIST), AIST Tsukuba Central 5, 1-1-1 Higashi, Tsukuba, Ibaraki 305-8565 (Japan); Akahama, Yuichi; Kawamura, Haruki [Graduate School of Material Science, University of Hyogo, 3-2-1 Koto, Kamigohri, Hyogo 678-1297 (Japan)

    2005-10-01T23:59:59.000Z

    The long-unknown crystal structure of the high pressure phase scandium-II was solved by powder x-ray diffraction and was found to have tetragonal host channels along the c axis and guest chains that are incommensurate with the host, as well as the high pressure phases of Ba, Sr, Bi, and Sb. The pressure dependences of the lattice constants, the incommensurability, the atomic distances, and the atomic volume were investigated.

  20. Structural model of uramarsite

    SciTech Connect (OSTI)

    Rastsvetaeva, R. K., E-mail: rast@ns.crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Sidorenko, G. A. [All-Russia Research Institute of Mineral Resources (VIMS) (Russian Federation); Ivanova, A. G. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Chukanov, N. V. [Russian Academy of Sciences, Institute of Problems of Chemical Physics (Russian Federation)

    2008-09-15T23:59:59.000Z

    The structural model of uramarsite, a new mineral of the uran-mica family from the Bota-Burum deposit (South Kazakhstan), is determined using a single-crystal X-ray diffraction analysis. The parameters of the triclinic unit cell are as follows: a = 7.173(2) A, b = 7.167(5) A, c = 9.30(1) A, {alpha} = 90.13(7){sup o}, {beta} = 90.09(4){sup o}, {gamma} = 89.96(4){sup o}, and space group P1. The crystal chemical formula of uramarsite is: (UO{sub 2}){sub 2}[AsO{sub 4}][PO{sub 4},AsO{sub 4}][NH{sub 4}][H{sub 3}O] . 6H{sub 2}O (Z = 1). Uramarsite is the second ammonium-containing mineral of uranium and an arsenate analogue of uramphite. In the case of uramarsite, the lowering of the symmetry from tetragonal to triclinic, which is accompanied by a triclinic distortion of the tetragonal unit cell, is apparently caused by the ordering of the As and P atoms and the NH{sub 4}, H{sub 3}O, and H{sub 2}O groups.

  1. The Three-Dimensional Structural Basis of Type II Hyperprolinemia

    SciTech Connect (OSTI)

    Srivastava, Dhiraj; Singh, Ranjan K.; Moxley, Michael A.; Henzl, Michael T.; Becker, Donald F.; Tanner, John J. (UNL); (UMC)

    2012-08-31T23:59:59.000Z

    Type II hyperprolinemia is an autosomal recessive disorder caused by a deficiency in {Delta}{sup 1}-pyrroline-5-carboxylate dehydrogenase (P5CDH; also known as ALDH4A1), the aldehyde dehydrogenase that catalyzes the oxidation of glutamate semialdehyde to glutamate. Here, we report the first structure of human P5CDH (HsP5CDH) and investigate the impact of the hyperprolinemia-associated mutation of Ser352 to Leu on the structure and catalytic properties of the enzyme. The 2. 5-{angstrom}-resolution crystal structure of HsP5CDH was determined using experimental phasing. Structures of the mutant enzymes S352A (2.4 {angstrom}) and S352L (2.85 {angstrom}) were determined to elucidate the structural consequences of altering Ser352. Structures of the 93% identical mouse P5CDH complexed with sulfate ion (1.3 {angstrom} resolution), glutamate (1.5 {angstrom}), and NAD{sup +} (1.5 {angstrom}) were determined to obtain high-resolution views of the active site. Together, the structures show that Ser352 occupies a hydrophilic pocket and is connected via water-mediated hydrogen bonds to catalytic Cys348. Mutation of Ser352 to Leu is shown to abolish catalytic activity and eliminate NAD{sup +} binding. Analysis of the S352A mutant shows that these functional defects are caused by the introduction of the nonpolar Leu352 side chain rather than the removal of the Ser352 hydroxyl. The S352L structure shows that the mutation induces a dramatic 8-{angstrom} rearrangement of the catalytic loop. Because of this conformational change, Ser349 is not positioned to interact with the aldehyde substrate, conserved Glu447 is no longer poised to bind NAD{sup +}, and Cys348 faces the wrong direction for nucleophilic attack. These structural alterations render the enzyme inactive.

  2. AuCu II, STRUCTURE MODULE IRRATIONNELLE, PROTOTYPE DES ANTIPHASES PRIODIQUES

    E-Print Network [OSTI]

    Boyer, Edmond

    de AuCu II à la composition 50 at. % Au la structure Johansson et Linde exacte (demi-période d Johansson-Linde structure is observed by electron diffraction from 50 at. % AuCu II bulk samples (antiphase diffraction des rayons X sur poudre par Johansson et Linde [1]. Ceci constituait la premiere structure

  3. SPAR Model Structural Efficiencies

    SciTech Connect (OSTI)

    John Schroeder; Dan Henry

    2013-04-01T23:59:59.000Z

    The Nuclear Regulatory Commission (NRC) and the Electric Power Research Institute (EPRI) are supporting initiatives aimed at improving the quality of probabilistic risk assessments (PRAs). Included in these initiatives are the resolution of key technical issues that are have been judged to have the most significant influence on the baseline core damage frequency of the NRC’s Standardized Plant Analysis Risk (SPAR) models and licensee PRA models. Previous work addressed issues associated with support system initiating event analysis and loss of off-site power/station blackout analysis. The key technical issues were: • Development of a standard methodology and implementation of support system initiating events • Treatment of loss of offsite power • Development of standard approach for emergency core cooling following containment failure Some of the related issues were not fully resolved. This project continues the effort to resolve outstanding issues. The work scope was intended to include substantial collaboration with EPRI; however, EPRI has had other higher priority initiatives to support. Therefore this project has addressed SPAR modeling issues. The issues addressed are • SPAR model transparency • Common cause failure modeling deficiencies and approaches • Ac and dc modeling deficiencies and approaches • Instrumentation and control system modeling deficiencies and approaches

  4. STRUCTURED TEXT RETRIEVAL MODELS Djoerd Hiemstra

    E-Print Network [OSTI]

    Hiemstra, Djoerd

    and manipulating content and hierarchical structure such as the parsed strings model [10], PAT expressions [15STRUCTURED TEXT RETRIEVAL MODELS Djoerd Hiemstra University of Twente http DEFINITION Structured text retrieval models provide a formal definition or mathematical framework

  5. Solution NMR Structure of Photosystem II Reaction Center Protein...

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

    is initiated by photosystem II (PSII) in the thylakoid membranes of plants, algae and cyanobacteria. PSII is a multi-subunit pigment-protein complex responsible for...

  6. Bayesian Analysis of the Phase II IASCASCE Structural Health Monitoring Experimental Benchmark Data

    E-Print Network [OSTI]

    Heaton, Thomas H.

    Bayesian Analysis of the Phase II IASC­ASCE Structural Health Monitoring Experimental Benchmark­ASCE Task Group on Structural Health Monitoring. This study involves damage detection and assessment; Identification; Bench marks; Structural analysis; Modal analysis. Introduction Structural health monitoring (SHM

  7. Structural Analysis of Combustion Models

    E-Print Network [OSTI]

    Tóth, J; Zsély, I

    2013-01-01T23:59:59.000Z

    Using ReactionKinetics, a Mathematica based package a few dozen detailed models for combustion of hydrogen, carbon monoxide and methanol are investigated. Essential structural characteristics are pulled out, and similarities and differences of the mechanisms are highlighted. These investigations can be used before or parallel with usual numerical investigations, such as pathway analysis, sensitivity analysis, parameter estimation, or simulation.

  8. PART II TECHNIQUES PROJECT MODELLING OF THE CORROSION OF

    E-Print Network [OSTI]

    Cambridge, University of

    - 1 - PART II TECHNIQUES PROJECT MODELLING OF THE CORROSION OF BINARY ALLOYS R.A. Jones Produced and temperatures. In this work a neural network method was employed to study how the rate of corrosion of Fe accordance with the literature. 1. Introduction The atmosphere is the corrosive environment to which alloys

  9. Dynamical dark matter. II. An explicit model

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

    Dienes, Keith R.; Thomas, Brooks

    2012-04-01T23:59:59.000Z

    In a recent paper [K. R. Dienes and B. Thomas, Phys. Rev. D 85, 083523 (2012).], we introduced “dynamical dark matter,” a new framework for dark-matter physics, and outlined its underlying theoretical principles and phenomenological possibilities. Unlike most traditional approaches to the dark-matter problem which hypothesize the existence of one or more stable dark-matter particles, our dynamical dark-matter framework is characterized by the fact that the requirement of stability is replaced by a delicate balancing between cosmological abundances and lifetimes across a vast ensemble of individual dark-matter components. This setup therefore collectively produces a time-varying cosmological dark-matter abundance, and the different dark-matter components can interact and decay throughout the current epoch. While the goal of our previous paper was to introduce the broad theoretical aspects of this framework, the purpose of the current paper is to provide an explicit model of dynamical dark matter and demonstrate that this model satisfies all collider, astrophysical, and cosmological constraints. The results of this paper therefore constitute an “existence proof” of the phenomenological viability of our overall dynamical dark-matter framework, and demonstrate that dynamical dark matter is indeed a viable alternative to the traditional paradigm of dark-matter physics. Dynamical dark matter must therefore be considered alongside other approaches to the dark-matter problem, particularly in scenarios involving large extra dimensions or string theory in which there exist large numbers of particles which are neutral under standard-model symmetries.

  10. Modeling covariance structure in unbalanced longitudinal data

    E-Print Network [OSTI]

    Chen, Min

    2009-05-15T23:59:59.000Z

    CHAPTER I INTRODUCTION . . . . . . . . . . . . . . . . . . . . . . . . . 1 II A REVIEW OF MODELING COVARIANCE MATRICES WITH MODIFIED CHOLESKY DECOMPOSITION . . . . . . 5 2.1 Modified Cholesky Decomposition . . . . . . . . . . . . . . 5 2.2 Fixed... Linear Mixed Models . . . . . . . . . . . . . 14 2.6 Linear Mixed-Effects Models: Balanced Longitudinal Data 15 III FIXED-EFFECTS MODELS WITH UNBALANCED LON- GITUDINAL DATA . . . . . . . . . . . . . . . . . . . . . . . . 19 3.1 Introduction...

  11. Topoisomerase II Structure Suggests Novel DNA Cleavage Mechanism

    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 OurThe Iron Spin Transition in2, 2003Tool ofTopo II: An Enzyme Target forTopo II:

  12. Structure formation: Models, Dynamics and Status

    E-Print Network [OSTI]

    T. Padmanabhan

    1995-08-25T23:59:59.000Z

    The constraints on the models for the structure formation arising from various cosmological observations at different length scales are reviewed. The status of different models for structure formation is examined critically in the light of these observations.

  13. Bound on Z{sup '} mass from CDMS II in the dark left-right gauge model II

    SciTech Connect (OSTI)

    Khalil, Shaaban [Centre for Theoretical Physics, British University in Egypt, El Sherouk City, Postal No. 11837, P.O. Box 43 (Egypt); Department of Mathematics, Ain Shams University, Faculty of Science, Cairo 11566 (Egypt); Lee, Hye-Sung [Department of Physics, Brookhaven National Laboratory, Upton, New York 11973 (United States); Ma, Ernest [Department of Physics and Astronomy, University of California, Riverside, California 92521 (United States)

    2010-03-01T23:59:59.000Z

    With the recent possible signal of dark matter from the CDMS II experiment, the Z{sup '} mass of a new version of the dark left-right gauge model (DLRM II) is predicted to be at around a TeV. As such, it has an excellent discovery prognosis at the operating Large Hadron Collider.

  14. Structural model uncertainty in stochastic simulation

    SciTech Connect (OSTI)

    McKay, M.D.; Morrison, J.D. [Los Alamos National Lab., NM (United States). Technology and Safety Assessment Div.

    1997-09-01T23:59:59.000Z

    Prediction uncertainty in stochastic simulation models can be described by a hierarchy of components: stochastic variability at the lowest level, input and parameter uncertainty at a higher level, and structural model uncertainty at the top. It is argued that a usual paradigm for analysis of input uncertainty is not suitable for application to structural model uncertainty. An approach more likely to produce an acceptable methodology for analyzing structural model uncertainty is one that uses characteristics specific to the particular family of models.

  15. Electronic coupling in organic-inorganic semiconductor hybrid structures with type-II energy level alignment

    E-Print Network [OSTI]

    Peters, Achim

    Electronic coupling in organic-inorganic semiconductor hybrid structures with type-II energy level Electronic coupling in a hybrid structure made of ZnMgO and a spirobifluorene derivative SP6 is inves- tigated in the situation where the energy level alignment at the organic/inorganic interface revealed

  16. INTENSITY MAPPING OF THE [C II] FINE STRUCTURE LINE DURING THE EPOCH OF REIONIZATION

    SciTech Connect (OSTI)

    Gong Yan; Cooray, Asantha [Department of Physics and Astronomy, University of California, Irvine, CA 92697 (United States); Silva, Marta; Santos, Mario G. [CENTRA, Instituto Superior Tecnico, Technical University of Lisbon, Lisboa 1049-001 (Portugal); Bock, James; Bradford, C. Matt; Zemcov, Michael [California Institute of Technology, 1200 E. California Blvd., Pasadena, CA 91125 (United States)

    2012-01-20T23:59:59.000Z

    The atomic C II fine-structure line is one of the brightest lines in a typical star-forming galaxy spectrum with a luminosity {approx}0.1%-1% of the bolometric luminosity. It is potentially a reliable tracer of the dense gas distribution at high redshifts and could provide an additional probe to the era of reionization. By taking into account the spontaneous, stimulated, and collisional emission of the C II line, we calculate the spin temperature and the mean intensity as a function of the redshift. When averaged over a cosmologically large volume, we find that the C II emission from ionized carbon in individual galaxies is larger than the signal generated by carbon in the intergalactic medium. Assuming that the C II luminosity is proportional to the carbon mass in dark matter halos, we also compute the power spectrum of the C II line intensity at various redshifts. In order to avoid the contamination from CO rotational lines at low redshift when targeting a C II survey at high redshifts, we propose the cross-correlation of C II and 21 cm line emission from high redshifts. To explore the detectability of the C II signal from reionization, we also evaluate the expected errors on the C II power spectrum and C II-21 cm cross power spectrum based on the design of the future millimeter surveys. We note that the C II-21 cm cross power spectrum contains interesting features that capture physics during reionization, including the ionized bubble sizes and the mean ionization fraction, which are challenging to measure from 21 cm data alone. We propose an instrumental concept for the reionization C II experiment targeting the frequency range of {approx}200-300 GHz with 1, 3, and 10 m apertures and a bolometric spectrometer array with 64 independent spectral pixels with about 20,000 bolometers.

  17. Topoisomerase II Structure Suggests Novel DNA Cleavage Mechanism

    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 OurThe Iron Spin Transition in2, 2003Tool ofTopo II: An Enzyme Target forTopo

  18. Topoisomerase II Structure Suggests Novel DNA Cleavage Mechanism

    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 OurThe Iron Spin Transition in2, 2003Tool ofTopo II: An Enzyme Target

  19. Topoisomerase II Structure Suggests Novel DNA Cleavage Mechanism

    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 OurThe Iron Spin Transition in2, 2003Tool ofTopo II: An Enzyme TargetTopoisomerase

  20. Topoisomerase II Structure Suggests Novel DNA Cleavage Mechanism

    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 OurThe Iron Spin Transition in2, 2003Tool ofTopo II: An Enzyme

  1. Topoisomerase II Structure Suggests Novel DNA Cleavage Mechanism

    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 solidSynthesisAppliances » Top InnovativeTopoisomerase II

  2. DIVALENT LANTHANIDE CHEMISTRY; BIS (PENTAMETHYLCYCLOPENTADIENYL) EUROPIUM(II) AND YTTERBIUM(II) DERIVATIVES: CRYSTAL STRUCTURE OF BIS(PENTAMETHYLCYCLOPENTADIENYL) YTTERBIUM (II)TETRAHYDROFURAN HEMI (TOLUENE) AT 176K

    E-Print Network [OSTI]

    Tilley, T.Don

    2012-01-01T23:59:59.000Z

    PENTAMETHYL CYCLOPENTADIENYL)EUROPIUM(II) AND YTTERBIUM(II)pentamethylcyclopentadienide and europium trichloride inbiscyclopentadienyl- europium and ~ytterbium, respectively,

  3. Structure of the ESCRT-II Endosomal Trafficking Complex

    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 InstagramStructure of All-Polymer Solar CellsMinimal RequirementsStructureUCE

  4. Model Structure Analysis for Model-based Operation of

    E-Print Network [OSTI]

    Van den Hof, Paul

    conducted in the framework of the "Integrated System Approach Petroleum Production" (ISAPP) programmeModel Structure Analysis for Model-based Operation of Petroleum Reservoirs #12;#12;MODEL STRUCTURE ANALYSIS FOR MODEL-BASED OPERATION OF PETROLEUM RESERVOIRS PROEFSCHRIFT ter verkrijging van de graad van

  5. Experimental Response of Buildings Designed with Metallic Structural Fuses. II

    E-Print Network [OSTI]

    Bruneau, Michel

    at the University at Buffalo, which consists of a three-story frame designed with buckling-restrained braces BRBs in a net reduction on the response of the structural sys- tem in terms of lateral displacements, compared to response of the system without dampers. Accelerations and lateral forces are ei- ther increased or reduced

  6. LHC Phenomenology of SO(10) Models with Yukawa Unification II

    E-Print Network [OSTI]

    Archana Anandakrishnan; B. Charles Bryant; Stuart Raby

    2014-04-22T23:59:59.000Z

    In this paper we study Yukawa-unified SO(10) SUSY GUTs with two types of SO(10) boundary conditions: (i) universal gaugino masses and (ii) non-universal gaugino masses with effective "mirage" mediation. With these boundary conditions, we perform a global chi^2 analysis to obtain the parameters consistent with 11 low energy observables, including the top, bottom, and tau masses. Both boundary conditions have universal scalar masses and "just so" splitting for the up- and down-type Higgs masses. In these models, the third family scalars are lighter than the first two families and the gauginos are lighter than all the scalars. We therefore focus on the gluino phenomenology in these models. In particular, we estimate the lowest allowed gluino mass in our models coming from the most recent LHC data and compare these to limits obtained using simplified models. We find that the lower bound on M_gluino in Yukawa-unified SO(10) SUSY GUTs is generically ~1.2 TEV at the 1 sigma level unless there is considerable degeneracy between the gluino and the LSP, in which case the bounds are much weaker. Hence many of our benchmark points are not ruled out by the present LHC data and are still viable models which can be tested at LHC 14.

  7. MODELING AND ANALYSIS OF THE DYNAMICS OF DRY-FRICTION-DAMPED STRUCTURAL SYSTEMS

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    MODELING AND ANALYSIS OF THE DYNAMICS OF DRY-FRICTION-DAMPED STRUCTURAL SYSTEMS by Olivier J . . . . . . . . . . . . . . . . . . . . . . . . . . 6 1.2.1 Nonlinear methods for the analysis of friction-damped systems . . . . . . . . . . . . . . . . . . . . . . . . 15 II. HYBRID FREQUENCY-TIME DOMAIN METHODS FOR THE ANALYSIS OF COMPLEX STRUCTURAL SYSTEMS WITH DRY

  8. Physics of Aquatic Systems II, 9. Modeling Universitt HeidelbergInstitut fr Umweltphysik Physics of Aquatic Systems II

    E-Print Network [OSTI]

    Aeschbach-Hertig, Werner

    HeidelbergInstitut für Umweltphysik 5 Influence of mixing on transient gas tracer ages · 2-comp. mixing Mook, 2001 Example: Mixing of fast and slow runoff components in a river Physics of Aquatic Systems II, 9. Modeling Universität HeidelbergInstitut für Umweltphysik 10 Mixed reactor model (exponential

  9. Engineering characterization of ground motion. Task II. Effects of ground motion characteristics on structural response considering localized structural nonlinearities and soil-structure interaction effects. Volume 2

    SciTech Connect (OSTI)

    Kennedy, R.P.; Kincaid, R.H.; Short, S.A.

    1985-03-01T23:59:59.000Z

    This report presents the results of part of a two-task study on the engineering characterization of earthquake ground motion for nuclear power plant design. Task I of the study, which is presented in NUREG/CR-3805, Vol. 1, developed a basis for selecting design response spectra taking into account the characteristics of free-field ground motion found to be significant in causing structural damage. Task II incorporates additional considerations of effects of spatial variations of ground motions and soil-structure interaction on foundation motions and structural response. The results of Task II are presented in four parts: (1) effects of ground motion characteristics on structural response of a typical PWR reactor building with localized nonlinearities and soil-structure interaction effects; (2) empirical data on spatial variations of earthquake ground motion; (3) soil-structure interaction effects on structural response; and (4) summary of conclusions and recommendations based on Tasks I and II studies. This report presents the results of the first part of Task II. The results of the other parts will be presented in NUREG/CR-3805, Vols. 3 to 5.

  10. The persistent cosmic web and its filamentary structure II: Illustrations

    E-Print Network [OSTI]

    Thierry Sousbie; Christophe Pichon; Hajime Kawahara

    2010-09-21T23:59:59.000Z

    The recently introduced discrete persistent structure extractor (DisPerSE, Soubie 2010, paper I) is implemented on realistic 3D cosmological simulations and observed redshift catalogues (SDSS); it is found that DisPerSE traces equally well the observed filaments, walls, and voids in both cases. In either setting, filaments are shown to connect onto halos, outskirt walls, which circumvent voids. Indeed this algorithm operates directly on the particles without assuming anything about the distribution, and yields a natural (topologically motivated) self-consistent criterion for selecting the significance level of the identified structures. It is shown that this extraction is possible even for very sparsely sampled point processes, as a function of the persistence ratio. Hence astrophysicists should be in a position to trace and measure precisely the filaments, walls and voids from such samples and assess the confidence of the post-processed sets as a function of this threshold, which can be expressed relative to the expected amplitude of shot noise. In a cosmic framework, this criterion is comparable to friend of friend for the identifications of peaks, while it also identifies the connected filaments and walls, and quantitatively recovers the full set of topological invariants (Betti numbers) {\\sl directly from the particles} as a function of the persistence threshold. This criterion is found to be sufficient even if one particle out of two is noise, when the persistence ratio is set to 3-sigma or more. The algorithm is also implemented on the SDSS catalogue and used to locat interesting configurations of the filamentary structure. In this context we carried the identification of an ``optically faint'' cluster at the intersection of filaments through the recent observation of its X-ray counterpart by SUZAKU. The corresponding filament catalogue will be made available online.

  11. Structure of the ESCRT-II endosomal trafficking complex

    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 InstagramStructure of All-Polymer Solar CellsMinimal

  12. Tiling groupoids and Bratteli diagrams II: structure of the orbit equivalence relation

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Tiling groupoids and Bratteli diagrams II: structure of the orbit equivalence relation A. Julien, J on the faces of the tiles of all dimensions j = 0, . . . , d - 1. We reconstruct the tiling's equivalence to a natural notion of border for its associated tiling. We define an ´etale equivalence relation RB on B

  13. Low Mach Number Modeling of Type Ia Supernovae. II. Energy Evolution

    E-Print Network [OSTI]

    Almgren, Ann S.; Bell, John B.; Rendleman, Charles A.; Zingale, Mike

    2006-01-01T23:59:59.000Z

    Number Modeling of Type Ia Supernovae. II. Energy EvolutionIa. Subject headings: supernovae: general — white dwarfs —the ignition of Type Ia supernovae (SNe Ia) is critical to

  14. Giant radio galaxies - II. Tracers of large-scale structure

    E-Print Network [OSTI]

    Malarecki, J M; Saripalli, L; Staveley-Smith, L; Subrahmanyan, R

    2015-01-01T23:59:59.000Z

    We have carried out optical spectroscopy with the Anglo-Australian Telescope for 24,726 objects surrounding a sample of 19 Giant Radio Galaxies (GRGs) selected to have redshifts in the range 0.05 to 0.15 and projected linear sizes from 0.8 to 3.2 Mpc. Such radio galaxies are ideal candidates to study the Warm-Hot Intergalactic Medium (WHIM) because their radio lobes extend beyond the ISM and halos of their host galaxies, and into the tenuous IGM. We were able to measure redshifts for 9,076 galaxies. Radio imaging of each GRG, including high-sensitivity, wideband radio observations from the Australia Telescope Compact Array for 12 GRGs and host optical spectra (presented in a previous paper, Malarecki et al. 2013), is used in conjunction with the surrounding galaxy redshifts to trace large-scale structure. We find that the mean galaxy number overdensity in volumes of ~700 Mpc$^3$ near the GRG host galaxies is ~70 indicating an overdense but non-virialized environment. A Fourier component analysis is used to qu...

  15. Models for solvated biomolecular structures

    E-Print Network [OSTI]

    Cerutti, David

    2007-01-01T23:59:59.000Z

    Point Charge / Extended (SPC/E) [15] [100] and Transferableexplicit water models). In both SPC/E and TIP3P, the siteearlier, models such as TIP3P and SPC/E describe water in a

  16. II

    Office of Legacy Management (LM)

    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 742EnergyOn AprilA group currentBradleyTableSelling7111AWell:F E ,"^ I 1' . _ .t.fiom/ I'l7aaII

  17. II

    Office of Legacy Management (LM)

    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 742EnergyOn AprilA group currentBradleyTableSelling7111AWell:F E ,"^ I 1' . _ .t.fiom/ I'l7aaII

  18. II*

    Annual Energy Outlook 2013 [U.S. Energy Information Administration (EIA)]

    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 1,006 492 742 33 111 1,613 122 40 Buildingto17 3400, U.S.MajorMarketsNov-14 Dec-14Has Hydrocarbon, a 1 II

  19. Models and Analysis of Wire Explosions Using TRAC II Simulations

    SciTech Connect (OSTI)

    Pekker, A.; Reisman, D.B.

    1999-09-10T23:59:59.000Z

    In order to understand the dynamics of Z-pinch imposions of thin wires in pulse-power accelerators, it is necessary to understand the physical process by which the initially solid wires are converted into plasma by rising current. For this purpose, we model wire explosions using TRAC II, a two-dimensional MHD code, in three distinct cases: pure tungsten, impure tungsten, and gold-plated tungsten. We compare our results--overall picture of the process, corona linear density, corona mass, and core expansion rate--to actual experiments performed at Sandia National Laboratory and Cornell University and present some explanations for the disagreements between our model and experimental observations. In Chapter 1, we discuss model results for several current waveforms (consisting of a 5 kA 50-150 ns pre-pulse and 80 kA 80 ns main pulse) for a pure tungsten wire, showing that the initial temperature of the wire does not affect the dynamics of the explosion. This suggests that different experimental results for unheated and preheated tungsten wires are due to the expulsion of impurities in the preheated wire and not to a change in the material properties of tungsten. To match the experimental set-up more accurately, we model the explosion of a tungsten wire with impurities in Chapter 2. The overall process predicted by the model agrees with experiment, namely the shunting of the current through the impurities region before tungsten expansion begins; however, quantitative results disagree with experimental observations mostly because of the extreme shunting of the current through the impurities in our model. Finally, in Chapter 3, we compare the explosions in gold-plated tungsten, pure tungsten, and pure gold wires under high (100 kA in 60 ns) and low (2 kA in 270 ns) currents, finding general agreement with experiment in the high-current case and a disagreement by a factor of ten in the low-current case. In addition, due to the similar properties of the two metals, we find no vast differences among the three cases in the high-current case, while the single-metal wire expand faster and farther than the gold-plated wire in the low-current case. We believe that the disagreement between our model and experiment can be decreased by better modeling of tungsten impurities and by improvements in the conductivity and bonding models.

  20. Crystal Structure Representations for Machine Learning Models of Formation Energies

    E-Print Network [OSTI]

    Faber, Felix; von Lilienfeld, O Anatole; Armiento, Rickard

    2015-01-01T23:59:59.000Z

    We introduce and evaluate a set of feature vector representations of crystal structures for machine learning (ML) models of formation energies of solids. ML models of atomization energies of organic molecules have been successful using a Coulomb matrix representation of the molecule. We consider three ways to generalize such representations to periodic systems: (i) a matrix where each element is related to the Ewald sum of the electrostatic interaction between two different atoms in the unit cell repeated over the lattice; (ii) an extended Coulomb-like matrix that takes into account a number of neighboring unit cells; and (iii) an Ansatz that mimics the periodicity and the basic features of the elements in the Ewald sum matrix by using a sine function of the crystal coordinates of the atoms. The representations are compared for a Laplacian kernel with Manhattan norm, trained to reproduce formation energies using a data set of 3938 crystal structures obtained from the Materials Project. For training sets consi...

  1. The Structure of Tradeoffs in Model Building

    E-Print Network [OSTI]

    Weisberg, Michael

    The Structure of Tradeoffs in Model Building John Matthewson Australia National University Michael of model building depending on their theoretical goals (1966). His own discussion argued that a three three types of tradeoff relevant for model building. After giving definitions for these, we investigate

  2. ThreadedComposite: A Mechanism for Building Concurrent and Parallel Ptolemy II Models

    E-Print Network [OSTI]

    ThreadedComposite: A Mechanism for Building Concurrent and Parallel Ptolemy II Models Edward A. Lee Electrical Engineering and Computer Sciences University of California at Berkeley Technical Report No. UCBComposite: A Mechanism for Building Concurrent and Parallel Ptolemy II Models Edward A. Lee UC Berkeley eal

  3. Fractal Inspired Models of Quark and Gluon Distributions and Longitudinal Structure Function FL(x, Q2) at small x

    E-Print Network [OSTI]

    Akbari Jahan; D. K. Choudhury

    2010-12-30T23:59:59.000Z

    In recent years, Fractal Inspired Models of quark and gluon densities at small x have been proposed. In this paper, we investigate longitudinal structure function F-L (x, Q2) within this approach. We make predictions using the QCD based approximate relation between the longitudinal structure function and the gluon density. As the Altarelli-Martinelli equation for the longitudinal structure function cannot be applied to Model I due to the presence of a singularity in the Bjorken x-space we consider Model II only. The qualitative feature of the prediction of Model II is found to be compatible with the QCD expectation.

  4. Super Models, Old King Coal II, & Civil Disobedience For fellow technocrats: "Climate simulations for 1880-2003 with GISS modelE", to appear soon

    E-Print Network [OSTI]

    Hansen, James E.

    Super Models, Old King Coal II, & Civil Disobedience Model: For fellow technocrats: "Climate" was a guise, using prurient interest to gain attention. Sorry! "Old King Coal II" and "Civil Disobedience" are accurate headings. Old King Coal II: Thanks for comments/suggestions re my "Old King Coal" e-mail. Main

  5. Solving seismological problems using sgraph program: II-waveform modeling

    SciTech Connect (OSTI)

    Abdelwahed, Mohamed F. [Geological Hazards Research Unit, King Abdulaziz University (Saudi Arabia) and National Research Institute of Astronomy and Geophysics (NRIAG), Helwan (Egypt)

    2012-09-26T23:59:59.000Z

    One of the seismological programs to manipulate seismic data is SGRAPH program. It consists of integrated tools to perform advanced seismological techniques. SGRAPH is considered a new system for maintaining and analyze seismic waveform data in a stand-alone Windows-based application that manipulate a wide range of data formats. SGRAPH was described in detail in the first part of this paper. In this part, I discuss the advanced techniques including in the program and its applications in seismology. Because of the numerous tools included in the program, only SGRAPH is sufficient to perform the basic waveform analysis and to solve advanced seismological problems. In the first part of this paper, the application of the source parameters estimation and hypocentral location was given. Here, I discuss SGRAPH waveform modeling tools. This paper exhibits examples of how to apply the SGRAPH tools to perform waveform modeling for estimating the focal mechanism and crustal structure of local earthquakes.

  6. Nickel(II) Complexes with Tetra-and Pentadentate Aminopyridine Ligands: Synthesis, Structure, Electrochemistry, and Reduction to

    E-Print Network [OSTI]

    Nazarenko, Alexander

    Nickel(II) Complexes with Tetra- and Pentadentate Aminopyridine Ligands: Synthesis, Structure, Electrochemistry, and Reduction to Nickel(I) Species Sergey V. Kryatov, B. Sharmila Mohanraj, Vladislav V. Tarasov A series of nickel(II) complexes with polydentate aminopyridine ligands N,N,N-tris-[2-(2-pyridyl

  7. Comparison of ?Z-structure function models

    SciTech Connect (OSTI)

    Rislow, Benjamin C. [Department of Physics, College of William and Mary, Williamsburg, VA 23187 (United States)

    2013-11-07T23:59:59.000Z

    The ?Z-box is an important contribution to the proton's weak charge. The ?Z-box is calculated dispersively and depends on ?Z-structure functions, F{sub 1,2,3}{sup ?Z}(x,Q{sup 2}). At present there is no data for these structure functions and they must be modeled by modifying existing fits to electromagnetic data. Each group that has studied the ?Z-box used different modifications. The results of the PVDIS experiment at Jefferson Lab may provide a first test of the validity of each group's models. I present details of the different models and their predictions for the PVDIS result.

  8. Modeling Fission Product Sorption in Graphite Structures

    SciTech Connect (OSTI)

    Szlufarska, Izabela [University of Wisconsin, Madison, WI (United States); Morgan, Dane [University of Wisconsin, Madison, WI (United States); Allen, Todd [University of Wisconsin, Madison, WI (United States)

    2013-04-08T23:59:59.000Z

    The goal of this project is to determine changes in adsorption and desorption of fission products to/from nuclear-grade graphite in response to a changing chemical environment. First, the project team will employ principle calculations and thermodynamic analysis to predict stability of fission products on graphite in the presence of structural defects commonly observed in very high- temperature reactor (VHTR) graphites. Desorption rates will be determined as a function of partial pressure of oxygen and iodine, relative humidity, and temperature. They will then carry out experimental characterization to determine the statistical distribution of structural features. This structural information will yield distributions of binding sites to be used as an input for a sorption model. Sorption isotherms calculated under this project will contribute to understanding of the physical bases of the source terms that are used in higher-level codes that model fission product transport and retention in graphite. The project will include the following tasks: Perform structural characterization of the VHTR graphite to determine crystallographic phases, defect structures and their distribution, volume fraction of coke, and amount of sp2 versus sp3 bonding. This information will be used as guidance for ab initio modeling and as input for sorptivity models; Perform ab initio calculations of binding energies to determine stability of fission products on the different sorption sites present in nuclear graphite microstructures. The project will use density functional theory (DFT) methods to calculate binding energies in vacuum and in oxidizing environments. The team will also calculate stability of iodine complexes with fission products on graphite sorption sites; Model graphite sorption isotherms to quantify concentration of fission products in graphite. The binding energies will be combined with a Langmuir isotherm statistical model to predict the sorbed concentration of fission products on each type of graphite site. The model will include multiple simultaneous adsorbing species, which will allow for competitive adsorption effects between different fission product species and O and OH (for modeling accident conditions).

  9. Wake II model for hydrodynamic forces on marine pipelines for the wave plus current case

    E-Print Network [OSTI]

    Ramirez Sabag, Said

    1999-01-01T23:59:59.000Z

    . Kostas Lambrakos, for their time and advice relating the Wake II model, necessary for the success in completing this research. I am grateful to the Instituto Mexicano del Petroleo (Mexican Institute of Petroleum) for its support during all my graduate...

  10. Aerodynamic Models for Hurricanes II. Model of the upper hurricane layer

    E-Print Network [OSTI]

    Leonov, Arkady I

    2008-01-01T23:59:59.000Z

    This second paper of the series (see the first one in [1]) models the dynamics and structure of upper hurricane layer in adiabatic approximation. Formulation of simplified aerodynamic model allows analytically express the radial istributions of pressure and wind speed components. The vertical evolution of these distributions and hurricane structure in the layer are described by a coupled set of equations for the vertical mass flux and vertical momentum balance, averaged over the eye wall cross section. Several realistic predictions of the model are demonstrated, including the change of directions for the component of radial wind speed and angular velocity of hurricane with altitude.

  11. Photometrical analysis of the Neck-Line structure of Comet Bennet 1970II

    SciTech Connect (OSTI)

    Fulle, M.; Sedmak, G.

    1988-06-01T23:59:59.000Z

    The Kimura and Liu (1977) analysis of the motion in space of cometary dust tail grains, which furnished information on the size-dependence of the dust ejection velocity from the inner coma and the size distribution on a millimetric scale, is presently applied to the Neck-Line Structure (NLS) displayed by Comet Bennett 1970II at the begining of May, 1970. Attention is given to two photographs of the comet which have been analyzed by digital image processing in order to extract reliable photometric data; the strong excess of millimetric grains noted is in agreement with the Fulle (1987) results for preperihelion times. 24 references.

  12. Feature extraction for structural dynamics model validation

    SciTech Connect (OSTI)

    Hemez, Francois [Los Alamos National Laboratory; Farrar, Charles [Los Alamos National Laboratory; Park, Gyuhae [Los Alamos National Laboratory; Nishio, Mayuko [UNIV OF TOKYO; Worden, Keith [UNIV OF SHEFFIELD; Takeda, Nobuo [UNIV OF TOKYO

    2010-11-08T23:59:59.000Z

    This study focuses on defining and comparing response features that can be used for structural dynamics model validation studies. Features extracted from dynamic responses obtained analytically or experimentally, such as basic signal statistics, frequency spectra, and estimated time-series models, can be used to compare characteristics of structural system dynamics. By comparing those response features extracted from experimental data and numerical outputs, validation and uncertainty quantification of numerical model containing uncertain parameters can be realized. In this study, the applicability of some response features to model validation is first discussed using measured data from a simple test-bed structure and the associated numerical simulations of these experiments. issues that must be considered were sensitivity, dimensionality, type of response, and presence or absence of measurement noise in the response. Furthermore, we illustrate a comparison method of multivariate feature vectors for statistical model validation. Results show that the outlier detection technique using the Mahalanobis distance metric can be used as an effective and quantifiable technique for selecting appropriate model parameters. However, in this process, one must not only consider the sensitivity of the features being used, but also correlation of the parameters being compared.

  13. Crystal structure and magnetic properties of NaCu{sup II}[(Cu{sup II}{sub 3}O)(PO{sub 4}){sub 2}Cl

    SciTech Connect (OSTI)

    Jin Tengteng [Key Laboratory of Transparent Opto-Functional Inorganic Materials, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Dingxi Rd. 1295, Shanghai 200050 (China); Liu Wei [Institute of Science and Engineering of Materials, Ocean University of China, Qingdao (China); Chen Shuang; Prots, Yurii; Schnelle, Walter [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Str. 40, 01187 Dresden (Germany); Zhao Jingtai [Key Laboratory of Transparent Opto-Functional Inorganic Materials, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Dingxi Rd. 1295, Shanghai 200050 (China); Kniep, Ruediger [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Str. 40, 01187 Dresden (Germany); Hoffmann, Stefan, E-mail: stefan.hoffmann@cpfs.mpg.de [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Noethnitzer Str. 40, 01187 Dresden (Germany)

    2012-08-15T23:59:59.000Z

    A new copper(II) oxide phosphate chloride, NaCu{sup II}[(Cu{sup II}{sub 3}O)(PO{sub 4}){sub 2}Cl], has been synthesized by flux synthesis. Single-crystal X-ray diffraction data show that the title compound crystallizes in the monoclinic system, space group P2{sub 1}/c (No. 14), with lattice parameters a=8.392(2) A, b=6.3960(10) A, c=16.670(2) A, {beta}=109.470(10) Degree-Sign , V=843.6(3) A{sup 3}, Z=4. The crystal structure is characterized by a complex chain of copper-centered polyhedra running along [0 1 0] which are connected by phosphate tetrahedra. The resulting three-dimensional polyhedra framework exhibits channels filled by additional copper and sodium atoms. Field and temperature dependent measurements of the specific heat and the magnetic susceptibility reveal low-dimensional magnetic behavior. The compound starts to decompose at 700 K under release of oxygen and evaporation of Cu{sup I}Cl as shown by simultaneous thermogravimetry and mass spectrometry. - Graphical abstract: The crystal structure of the new copper(II) phosphate chloride, NaCu{sup II}[(Cu{sup II}{sub 3}O)(PO{sub 4}){sub 2}Cl], exhibits linear chains of copper tetrahedra which show low-dimensional magnetic behavior proven by specific heat and magnetic susceptibility measurements. Highlights: Black-Right-Pointing-Pointer A new copper(II) oxide phosphate chloride, NaCu{sup II}[(Cu{sup II}{sub 3}O)(PO{sub 4}){sub 2}Cl], has been synthesized by flux synthesis. Black-Right-Pointing-Pointer The crystal structure comprises chains of Cu{sub 4}O tetrahedra. Black-Right-Pointing-Pointer Low-dimensional behavior has been proven by magnetic and specific heat measurements. Black-Right-Pointing-Pointer On heating, Cu{sup I}Cl and oxygen are released shown by simultaneous thermogravimetry and mass spectrometry.

  14. Energy policy modeling: United States and Canadian experiences. Volume II. Integrative energy policy models

    SciTech Connect (OSTI)

    Ziemba, W.T.; Schwartz, S.L. (eds.)

    1980-01-01T23:59:59.000Z

    The Canadian Energy Policy Modeling Conference, held in North Vancouver, May 18-20, 1978, was organized to assess the state of the art in energy modeling in North America. A major aim of the conference was to determine the extent to which energy modeling had and could make a contribution to the energy-policy decision-making process. Two volumes contain revised and updated versions of the major papers presented at the conference plus edited transcripts of the panel discussions and several additional papers aimed at particular topics deemed worthy of further study. For this volume, Vol. II, a separate abstract was prepared for each of 17 papers, 2 panel discussions, and three session-introduction commentaries for Energy Abstracts for Policy Analysis (EAPA); 7 abstracts will appear in Energy Research Abstracts (ERA).

  15. Modelling the Contribution Structure Underlying Requirements

    E-Print Network [OSTI]

    Gotel, Olly

    Modelling the Contribution Structure Underlying Requirements Orlena C. Z. Gotel & Anthony C, and hence trace, those who have contributed in the production and refinement of the requirements illustrate the relationship between RT and software quality. In Section 3, we show the restricted impact

  16. F2010-B-107 MODELING OF THE THS-II SERIES/PARALLEL POWER TRAIN AND

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    F2010-B-107 MODELING OF THE THS-II SERIES/PARALLEL POWER TRAIN AND ITS ENERGY MANAGEMENT SYSTEM ­ Hybrid power train, power-split eCVT, rule-based control strategy, Toyota Hybrid System, driver-based engineering intuition controller. The model encloses the modeling of the vehicle dynamics, the power train

  17. Information-Theoretic Key Agreement of Multiple Terminals -Part II: Channel Model

    E-Print Network [OSTI]

    Anantharam, Venkat

    1 Information-Theoretic Key Agreement of Multiple Terminals - Part II: Channel Model Amin Aminzadeh the channel model. In the channel model, a set of two or more terminals wish to create a shared secret key that is information-theoretically secure from an eavesdropper. The first terminal can choose a sequence of inputs

  18. Turbulence model of the cosmic structure

    E-Print Network [OSTI]

    Jose Gaite

    2012-02-14T23:59:59.000Z

    The Kolmogorov approach to turbulence is applied to the Burgers turbulence in the stochastic adhesion model of large-scale structure formation. As the perturbative approach to this model is unreliable, here is proposed a new, non-perturbative approach, based on a suitable formulation of Kolmogorov's scaling laws. This approach suggests that the power-law exponent of the matter density two-point correlation function is in the range 1--1.33, but it also suggests that the adhesion model neglects important aspects of the gravitational dynamics.

  19. NSLS-II: Nonlinear Model Calibration for Synchrotrons

    SciTech Connect (OSTI)

    Bengtsson, J.

    2010-10-08T23:59:59.000Z

    This tech note is essentially a summary of a lecture we delivered to the Acc. Phys. Journal Club Apr, 2010. However, since the estimated accuracy of these methods has been naive and misleading in the field of particle accelerators, i.e., ignores the impact of noise, we will elaborate on this in some detail. A prerequisite for a calibration of the nonlinear Hamiltonian is that the quadratic part has been understood, i.e., that the linear optics for the real accelerator has been calibrated. For synchrotron light source operations, this problem has been solved by the interactive LOCO technique/tool (Linear Optics from Closed Orbits). Before that, in the context of hadron accelerators, it has been done by signal processing of turn-by-turn BPM data. We have outlined how to make a basic calibration of the nonlinear model for synchrotrons. In particular, we have shown how this was done for LEAR, CERN (antiprotons) in the mid-80s. Specifically, our accuracy for frequency estimation was {approx} 1 x 10{sup -5} for 1024 turns (to calibrate the linear optics) and {approx} 1 x 10{sup -4} for 256 turns for tune footprint and betatron spectrum. For a comparison, the estimated tune footprint for stable beam for NSLS-II is {approx}0.1. Since the transverse damping time is {approx}20 msec, i.e., {approx}4,000 turns. There is no fundamental difference for: antiprotons, protons, and electrons in this case. Because the estimated accuracy for these methods in the field of particle accelerators has been naive, i.e., ignoring the impact of noise, we have also derived explicit formula, from first principles, for a quantitative statement. For e.g. N = 256 and 5% noise we obtain {delta}{nu} {approx} 1 x 10{sup -5}. A comparison with the state-of-the-arts in e.g. telecomm and electrical engineering since the 60s is quite revealing. For example, Kalman filter (1960), crucial for the: Ranger, Mariner, and Apollo (including the Lunar Module) missions during the 60s. Or Claude Shannon et al since the 40s for that matter. Conclusion: what's elementary in the latter is considered 'advanced', if at all, in the former. It is little surprise then that published measurements typically contains neither error bars (for the random errors) nor estimates for the systematic in the former discipline. We have also showed how to estimate the state space by turn-by-turn data from two adjacent BPMs. And how to improve the resolution of the nonlinear resonance spectrum by Fourier analyzing the linear action variables instead of the betatron motion. In fact, the state estimator could be further improved by adding a Kalman filter. For transparency, we have also summarized on how these techniques provide a framework- and method for a TQM (Total Quality Management) approach for the main ring. Of course, to make the ($2.5M) turn-by-turn data acquisition system that is being implemented (for all the BPMs) useful, a means ({approx}10% contingency for the BPM system) to drive the beam is obviously required.

  20. Make Model SPECS ACURA ILX (Model Year 2013) 2.0L 4, auto stk [P] ULEV II / Bin 5 45

    E-Print Network [OSTI]

    II / Bin 5 42 BMW 328i (Model Year 2013) 2.0L 4, auto stk [P] Bin 5 / ULEV II 42 BMW 328i (Model Year 2013) 2.0L 4, manual [P] ULEV II / Bin 5 43 BMW 328i XDRIVE (Model Year 2013) 2.0L 4, auto stk Awd [P] ULEV II / Bin 5 41 BMW 335i (Model Year 2013) 3.0L 6, auto stk [P] ULEV II / Bin 5 41 BMW 528i (Model

  1. Unbonded Post Tensioned Concrete Slabs in Fire – Part IIModelling Tendon Response and the Consequences of Localized Heating 

    E-Print Network [OSTI]

    Gales, John; Bisby, Luke; Gillie, Martin

    This is Part II of a two part paper dealing with the current state of knowledge of the fire-safe structural design and construction of unbonded post-tensioned (UPT) flat plate concrete structures. Part I provided ...

  2. Crystal Structure of the C-terminal Region of Streptococcus mutans Antigen I/II and Characterization of Salivary Agglutinin Adherence Domains

    SciTech Connect (OSTI)

    Larson, Matthew R.; Rajashankar, Kanagalaghatta R.; Crowley, Paula J.; Kelly, Charles; Mitchell, Tim J.; Brady, L. Jeannine; Deivanayagam, Champion (King); (Cornell); (UAB); (Glasgow); (Florida)

    2012-05-29T23:59:59.000Z

    The Streptococcus mutans antigen I/II (AgI/II) is a cell surface-localized protein that adheres to salivary components and extracellular matrix molecules. Here we report the 2.5 {angstrom} resolution crystal structure of the complete C-terminal region of AgI/II. The C-terminal region is comprised of three major domains: C{sub 1}, C{sub 2}, and C{sub 3}. Each domain adopts a DE-variant IgG fold, with two {beta}-sheets whose A and F strands are linked through an intramolecular isopeptide bond. The adherence of the C-terminal AgI/II fragments to the putative tooth surface receptor salivary agglutinin (SAG), as monitored by surface plasmon resonance, indicated that the minimal region of binding was contained within the first and second DE-variant-IgG domains (C{sub 1} and C{sub 2}) of the C terminus. The minimal C-terminal region that could inhibit S. mutans adherence to SAG was also confirmed to be within the C{sub 1} and C{sub 2} domains. Competition experiments demonstrated that the C- and N-terminal regions of AgI/II adhere to distinct sites on SAG. A cleft formed at the intersection between these C{sub 1} and C{sub 2} domains bound glucose molecules from the cryo-protectant solution, revealing a putative binding site for its highly glycosylated receptor SAG. Finally, electron microscopy images confirmed the elongated structure of AgI/II and enabled building a composite tertiary model that encompasses its two distinct binding regions.

  3. Coastal Structures Modeling Complex | Open Energy Information

    Open Energy Info (EERE)

    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: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand JumpConceptual Model, clickInformationNew York: Energy ResourcesCoastal Structures Modeling

  4. Structure-property-relationship of p-toluidinium tetrachloromercurate(II)

    SciTech Connect (OSTI)

    Dinesh, E-mail: phy.dinesh.ap@gmail.com [Department of Physics, Govt. G.M. Science College, Jammu -180006 (India); Kumar, Mukesh [School of Physical Sciences, Banasthali University, Banasthali, Rajasthan -304022 (India); Dalela, S. [Department of Pure and Applied Physics, University of Kota, Kota, Rajasthan -324005 (India)

    2014-04-24T23:59:59.000Z

    The single crystals of p-toluidinium tetrachloromercurate(II) hybrid materials have been grown with perfect crystal of size 0.35 × 0.30 × 0.27 mm. The hybrid material is exposed to X-rays for 3D intensity data which is used to refine the crystal structure upto reliability-factor of 0.034. The phenyl ring has planar conformation with skeletal torsion angle of 0.003(6)° and the aromatic ring (C1-C6) forms an angle of 78.7(1)° to the plane of inorganic layer. The N-H...Cl hydrogen bonded tetramer pattern is observed in p-toluidinium tetrachloromercurate(II) and the two tetramer layers are separated by a distance of 3.925(6)Å and the minimum distance between two mercury atoms is 4.112(1)Å which is quite larger for any metallophilic interaction. The inorganic layers form zig-zag ribbons which are separated by a distance of 12.987(5)Å.

  5. Low-energy fine-structure resonances in photoionization of O ii

    SciTech Connect (OSTI)

    Nahar, Sultana N.; Pradhan, Anil K. [Department of Astronomy, Ohio State University, Columbus, Ohio 43210 (United States); Montenegro, Maximiliano [Facultad de Educaci, Pontificia Universidad Catholica de Chile, Avda Vicua Mackenna 4860, Macul, Santiago (Chile); Eissner, Werner [Institut fuer Theoretische Physik, Teilinstitut 1, D-70550 Stuttgart (Germany)

    2010-12-15T23:59:59.000Z

    Resonant features in low-energy photoionization cross sections are reported in coupled-channel calculations for O ii including relativistic fine structure. The calculations reveal extensive near-threshold resonant structures in the small energy region between the fine structure levels of the ground state 2p{sup 2}({sup 3}P{sub 0,1,2}) of the residual ion O iii. Although the resonances have not yet been observed, they are similar to other experimentally observed features. They are expected to significantly enhance the very-low-temperature dielectronic recombination rates, potentially leading to the resolution of an outstanding nebular abundances anomaly. Higher energy partial and total photoionization cross sections of the ground configuration levels 2p{sup 3}({sup 4}S{sub 3/2}{sup o},{sup 2}D{sub 3/2,5/2}{sup o},{sup 2}P{sub 1/2,3/2}{sup o}) are found to be in agreement with experimental measurements on synchrotron-based photon sources [1-3], thereby identifying the excited O iii levels present in the ion beams. These are also the first results from a recently developed version of Breit-Pauli R-matrix (BPRM) codes, with inclusion of two-body magnetic interaction terms. The improved relativistic treatment could be important for other astrophysical applications and for more precise benchmarking of experimental measurements.

  6. Nickel(II) Macrocyclic Complexes with Long Alkyl Pendant Chain: Synthesis, X-ray Structure, and Anion Exchange Property in the Solid

    E-Print Network [OSTI]

    Paik Suh, Myunghyun

    Nickel(II) Macrocyclic Complexes with Long Alkyl Pendant Chain: Synthesis, X-ray Structure-747, Republic of Korea Received August 23, 2002 A nickel(II) pentaaza macrocyclic complex containing a 1 coordinate nickel(II) at the axial sites, which form -stacked TCNQ- dimers to give rise to 1-D chains

  7. Thermomechanical characterization and modeling for TSV structures

    SciTech Connect (OSTI)

    Jiang, Tengfei; Zhao, Qiu; Im, Jay; Ho, Paul S. [Microelectronics Research Center, University of Texas, Austin, TX 78712 (United States); Ryu, Suk-Kyu; Huang, Rui [Department of Aerospace Engineering and Engineering Mechanics, University of Texas, Austin, TX 78712 (United States)

    2014-06-19T23:59:59.000Z

    Continual scaling of devices and on-chip wiring has brought significant challenges for materials and processes beyond the 32-nm technology node in microelectronics. Recently, three-dimensional (3-D) integration with through-silicon vias (TSVs) has emerged as an effective solution to meet the future technology requirements. Among others, thermo-mechanical reliability is a key concern for the development of TSV structures used in die stacking as 3-D interconnects. This paper presents experimental measurements of the thermal stresses in TSV structures and analyses of interfacial reliability. The micro-Raman measurements were made to characterize the local distribution of the near-surface stresses in Si around TSVs. On the other hand, the precision wafer curvature technique was employed to measure the average stress and deformation in the TSV structures subject to thermal cycling. To understand the elastic and plastic behavior of TSVs, the microstructural evolution of the Cu vias was analyzed using focused ion beam (FIB) and electron backscattering diffraction (EBSD) techniques. Furthermore, the impact of thermal stresses on interfacial reliability of TSV structures was investigated by a shear-lag cohesive zone model that predicts the critical temperatures and critical via diameters.

  8. Fast and Robust Algorithm for Compositional Modeling: Part II--

    E-Print Network [OSTI]

    Firoozabadi, Abbas

    later) we have noticed that compositional modeling of a rich-retrograde gas condensate het- erogeneous of our study, stability analysis testing in the reduced space was formulated, and its robustness- sitional modeling, stability analysis testing in the reduction method was presented.1 In this paper, Part

  9. Optimization Online - A Non-Parametric Structural Hybrid Modeling ...

    E-Print Network [OSTI]

    Somayeh Moazeni

    2014-06-30T23:59:59.000Z

    Jun 30, 2014 ... A Non-Parametric Structural Hybrid Modeling Approach for Electricity Prices ... Keywords: Electricity market; Electricity price modeling; Energy ...

  10. Photoevaporation of protoplanetary discs II: evolutionary models and observable properties

    E-Print Network [OSTI]

    R. D. Alexander; C. J. Clarke; J. E. Pringle

    2006-03-09T23:59:59.000Z

    We present a new model for protoplanetary disc evolution. This model combines viscous evolution with photoevaporation of the disc, in a manner similar to Clarke, Gendrin & Sotomayor (2001). However in a companion paper (Alexander, Clarke & Pringle 2006a) we have shown that at late times such models must consider the effect of stellar radiation directly incident on the inner disc edge, and here we model the observational implications of this process. We find that the entire disc is dispersed on a time-scale of order $10^5$yr after a disc lifetime of a few Myr, consistent with observations of T Tauri (TT) stars. We use a simple prescription to model the spectral energy distribution of the evolving disc, and demonstrate that the model is consistent with observational data across a wide range of wavelengths. We note also that the model predicts a short ``inner hole'' phase in the evolution of all TT discs, and make predictions for future observations at mid-infrared and millimetre wavelengths.

  11. Measurement and modeling of advanced coal conversion processes, Volume II

    SciTech Connect (OSTI)

    Solomon, P.R.; Serio, M.A.; Hamblen, D.G. [and others

    1993-06-01T23:59:59.000Z

    A two dimensional, steady-state model for describing a variety of reactive and nonreactive flows, including pulverized coal combustion and gasification, is presented. The model, referred to as 93-PCGC-2 is applicable to cylindrical, axi-symmetric systems. Turbulence is accounted for in both the fluid mechanics equations and the combustion scheme. Radiation from gases, walls, and particles is taken into account using a discrete ordinates method. The particle phase is modeled in a lagrangian framework, such that mean paths of particle groups are followed. A new coal-general devolatilization submodel (FG-DVC) with coal swelling and char reactivity submodels has been added.

  12. On the modular structure of the genus-one Type II superstring low energy expansion

    E-Print Network [OSTI]

    Eric D'Hoker; Michael B. Green; Pierre Vanhove

    2015-02-24T23:59:59.000Z

    The analytic contribution to the low energy expansion of Type II string amplitudes at genus-one is a power series in space-time derivatives with coefficients that are determined by integrals of modular functions over the complex structure modulus of the world-sheet torus. These modular functions are associated with world-sheet vacuum Feynman diagrams and given by multiple sums over the discrete momenta on the torus. In this paper we exhibit exact differential and algebraic relations for a certain infinite class of such modular functions by showing that they satisfy Laplace eigenvalue equations with inhomogeneous terms that are polynomial in non-holomorphic Eisenstein series. Furthermore, we argue that the set of modular functions that contribute to the coefficients of interactions up to order D**10 R*4 are linear sums of functions in this class and quadratic polynomials in Eisenstein series and odd Riemann zeta values. Integration over the complex structure results in coefficients of the low energy expansion that are rational numbers multiplying monomials in odd Riemann zeta values.

  13. On the modular structure of the genus-one Type II superstring low energy expansion

    E-Print Network [OSTI]

    Eric D'Hoker; Michael B. Green; Pierre Vanhove

    2015-06-03T23:59:59.000Z

    The analytic contribution to the low energy expansion of Type II string amplitudes at genus-one is a power series in space-time derivatives with coefficients that are determined by integrals of modular functions over the complex structure modulus of the world-sheet torus. These modular functions are associated with world-sheet vacuum Feynman diagrams and given by multiple sums over the discrete momenta on the torus. In this paper we exhibit exact differential and algebraic relations for a certain infinite class of such modular functions by showing that they satisfy Laplace eigenvalue equations with inhomogeneous terms that are polynomial in non-holomorphic Eisenstein series. Furthermore, we argue that the set of modular functions that contribute to the coefficients of interactions up to order D**10 R*4 are linear sums of functions in this class and quadratic polynomials in Eisenstein series and odd Riemann zeta values. Integration over the complex structure results in coefficients of the low energy expansion that are rational numbers multiplying monomials in odd Riemann zeta values.

  14. Comprehensive computer model for magnetron sputtering. II. Charged particle transport

    SciTech Connect (OSTI)

    Jimenez, Francisco J., E-mail: fjimenez@ualberta.ca; Dew, Steven K. [Department of Electrical and Computer Engineering, University of Alberta, Edmonton T6G 2V4 (Canada); Field, David J. [Smith and Nephew (Alberta) Inc., Fort Saskatchewan T8L 4K4 (Canada)

    2014-11-01T23:59:59.000Z

    Discharges for magnetron sputter thin film deposition systems involve complex plasmas that are sensitively dependent on magnetic field configuration and strength, working gas species and pressure, chamber geometry, and discharge power. The authors present a numerical formulation for the general solution of these plasmas as a component of a comprehensive simulation capability for planar magnetron sputtering. This is an extensible, fully three-dimensional model supporting realistic magnetic fields and is self-consistently solvable on a desktop computer. The plasma model features a hybrid approach involving a Monte Carlo treatment of energetic electrons and ions, along with a coupled fluid model for thermalized particles. Validation against a well-known one-dimensional system is presented. Various strategies for improving numerical stability are investigated as is the sensitivity of the solution to various model and process parameters. In particular, the effect of magnetic field, argon gas pressure, and discharge power are studied.

  15. A-priori calculation of the refractive index of some simple gas hydrates of structures I and II

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    A-priori calculation of the refractive index of some simple gas hydrates of structures I and II O are given to calculate the absolute or relative refractive index of any gas hydrate, provided the host gas scattering 1. Introduction Literature is abundant on gas hydrates, which give rise to a growing attention

  16. Are collisions with neutral hydrogen important for modelling the Second Solar Spectrum of Ti I and Ca II ?

    E-Print Network [OSTI]

    M. Derouich; J. Trujillo Bueno; R. Manso Sainz

    2007-05-14T23:59:59.000Z

    The physical interpretation of scattering line polarization offers a novel diagnostic window for exploring the thermal and magnetic structure of the quiet regions of the solar atmosphere. Here we evaluate the impact of isotropic collisions with neutral hydrogen atoms on the scattering polarization signals of the 13 lines of multiplet 42 of Ti I and on those of the K line and of the IR triplet of Ca II, with emphasis on the collisional transfer rates between nearby J-levels. To this end, we calculate the linear polarization produced by scattering processes considering realistic multilevel models and solving the statistical equilibrium equations for the multipolar components of the atomic density matrix. We confirm that the lower levels of the 13 lines of multiplet 42 of Ti I are completely depolarized by elastic collisions. We find that upper-level collisional depolarization turns out to have an unnoticeable impact on the emergent linear polarization amplitudes, except for the ${\\lambda 4536$ line for which it is possible to notice a rather small depolarization caused by the collisional transfer rates. Concerning the Ca II lines, we show that the collisional rates play no role on the polarization of the upper level of the K line, while they have a rather small depolarizing effect on the atomic polarization of the metastable lower levels of the Ca II IR triplet.

  17. Modeling Degradation in Solid Oxide Electrolysis Cells - Volume II

    SciTech Connect (OSTI)

    Manohar Motwani

    2011-09-01T23:59:59.000Z

    Idaho National Laboratory has an ongoing project to generate hydrogen from steam using solid oxide electrolysis cells (SOECs). To accomplish this, technical and degradation issues associated with the SOECs will need to be addressed. This report covers various approaches being pursued to model degradation issues in SOECs. An electrochemical model for degradation of SOECs is presented. The model is based on concepts in local thermodynamic equilibrium in systems otherwise in global thermodynamic non-equilibrium. It is shown that electronic conduction through the electrolyte, however small, must be taken into account for determining local oxygen chemical potential,, within the electrolyte. The within the electrolyte may lie out of bounds in relation to values at the electrodes in the electrolyzer mode. Under certain conditions, high pressures can develop in the electrolyte just near the oxygen electrode/electrolyte interface, leading to oxygen electrode delamination. These predictions are in accordance with the reported literature on the subject. Development of high pressures may be avoided by introducing some electronic conduction in the electrolyte. By combining equilibrium thermodynamics, non-equilibrium (diffusion) modeling, and first-principles, atomic scale calculations were performed to understand the degradation mechanisms and provide practical recommendations on how to inhibit and/or completely mitigate them.

  18. II MODEL AND FEEDBACK LINEARIZING CONTROLLER 1 A Multilayer Perceptron Replaces a Feedback

    E-Print Network [OSTI]

    Amaral, José Nelson

    II MODEL AND FEEDBACK LINEARIZING CONTROLLER 1 A Multilayer Perceptron Replaces a Feedback Linearization Controller in a Nonlinear Servomechanism Jos'e F. Haffner, Ney T. Meyrer, Jos'e N. Amaral and Lu'is F. A. Pereira Abstract--- A Feedback Linearizing Controller (FLC) is used to train a multilayer

  19. Shape Memory Alloys --Part II: Modeling of Polycrystals Dimitris C. Lagoudas

    E-Print Network [OSTI]

    Popov, Peter

    Shape Memory Alloys -- Part II: Modeling of Polycrystals Dimitris C. Lagoudas Pavlin B. Entchev Peter Popov Department of Aerospace Engineering Texas A&M University College Station, TX 77843-3141 USA Alloys (SMAs). Averaging micromechanics methods based on the self-consistent approximation are used

  20. Computational insights on crystal structures of the oxygen-evolving complex of photosystem II with either Ca²? or Ca²? substituted by Sr²?

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

    Vogt, Leslie [Yale Univ., New Haven, CT (United States); Ertem, Mehmed Z. [Yale Univ., New Haven, CT (United States); Brookhaven National Lab. (BNL), Upton, NY (United States); Pal, Rhitankar [Yale Univ., New Haven, CT (United States); Brudvig, Gary W. [Yale Univ., New Haven, CT (United States); Batista, Victor S. [Yale Univ., New Haven, CT (United States)

    2015-01-27T23:59:59.000Z

    The oxygen-evolving complex of photosystem II can function with either Ca²? or Sr²? as the heterocation, but the reason for differing turnover rates remains unresolved despite reported X-ray crystal structures for both forms. Using quantum mechanics/molecular mechanics (QM/MM) calculations, we optimize structures with each cation in both the resting state (S?) and in a series of reduced states (S?, S??, and S-?). Through comparison with experimental data, we determine that X-ray crystal structures with either Ca²? or Sr²? are most consistent with the S-? state, Mn?[III,III,III,II] with O4 and O5 protonated. As expected, the QM/MM models show that Ca²?/Sr²? substitution results in elongation of the heterocation bonds and displaces terminal waters W3 and W4. The optimized structures also show that hydrogen-bonded W5 is displaced in all S states with Sr²? as the heterocation, suggesting that this water may play a critical role during water oxidation.

  1. Computational insights on crystal structures of the oxygen-evolving complex of photosystem II with either Ca²? or Ca²? substituted by Sr²?

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

    Vogt, Leslie; Ertem, Mehmed Z.; Pal, Rhitankar; Brudvig, Gary W.; Batista, Victor S.

    2015-01-27T23:59:59.000Z

    The oxygen-evolving complex of photosystem II can function with either Ca²? or Sr²? as the heterocation, but the reason for differing turnover rates remains unresolved despite reported X-ray crystal structures for both forms. Using quantum mechanics/molecular mechanics (QM/MM) calculations, we optimize structures with each cation in both the resting state (S?) and in a series of reduced states (S?, S??, and S-?). Through comparison with experimental data, we determine that X-ray crystal structures with either Ca²? or Sr²? are most consistent with the S-? state, Mn?[III,III,III,II] with O4 and O5 protonated. As expected, the QM/MM models show that Ca²?/Sr²? substitutionmore »results in elongation of the heterocation bonds and displaces terminal waters W3 and W4. The optimized structures also show that hydrogen-bonded W5 is displaced in all S states with Sr²? as the heterocation, suggesting that this water may play a critical role during water oxidation.« less

  2. Slag Behavior in Gasifiers. Part II: Constitutive Modeling of Slag

    SciTech Connect (OSTI)

    Massoudi, Mehrdad [National Energy Technology Laboratory; Wang, Ping

    2013-02-07T23:59:59.000Z

    The viscosity of slag and the thermal conductivity of ash deposits are among two of the most important constitutive parameters that need to be studied. The accurate formulation or representations of the (transport) properties of coal present a special challenge of modeling efforts in computational fluid dynamics applications. Studies have indicated that slag viscosity must be within a certain range of temperatures for tapping and the membrane wall to be accessible, for example, between 1,300 °C and 1,500 °C, the viscosity is approximately 25 Pa·s. As the operating temperature decreases, the slag cools and solid crystals begin to form. Since slag behaves as a non-linear fluid, we discuss the constitutive modeling of slag and the important parameters that must be studied. We propose a new constitutive model, where the stress tensor not only has a yield stress part, but it also has a viscous part with a shear rate dependency of the viscosity, along with temperature and concentration dependency, while allowing for the possibility of the normal stress effects. In Part I, we reviewed, identify and discuss the key coal ash properties and the operating conditions impacting slag behavior.

  3. Proposed database model and file structures for arthropod collection management

    E-Print Network [OSTI]

    Mathis, Wayne N.

    Proposed database model and file structures for arthropod collection management Ronald A for taxonomic analysis or behavioral, physiological, and ecological information. The database model described how specific computerization projects can be related to each other. The proposed database model

  4. Electromagnetic scattering from grassland Part II: Measurement and modeling results

    E-Print Network [OSTI]

    Stiles, James Marion; Ulaby, F. T.; Sarabandi, K.

    2000-01-01T23:59:59.000Z

    -InvestigatoronmanyprojectssponsoredbyNASA,JPL,ARO,ONR,ARL, and GM all related in one way or the other to microwave and millimeter wave radar remote sensing. He has published many book chapters and more than 80 papers in refereed journals on electromagnetic scattering, random media modeling, microwave measurement...LecturerAwardfromtheGerman Federal Ministry for Education, Science, and Technology. FawwazT.Ulaby(M’68–SM’74–F’80)receivedthe B.S.degreeinphysicsfromtheAmericanUniversity of Beirut, Lebanon, in 1964, and the M.S.E.E. and Ph.D.degreesinelectricalengineeringfromtheUni- versity...

  5. Effects of chronic receptor blockade on intracardiac angiotensin II and aldosterone content in an angiotensin II-infused model of hypertension

    E-Print Network [OSTI]

    Conte, Debra Ann

    2011-01-01T23:59:59.000Z

    II in Angiotensin II-Infused Rats. Hypertension 27: 658-662,II Augmentation in Angiotensin II-Infused Rats. HypertensionII in angiotensin II- infused rats. Experimental Biology and

  6. ONGOING RESEARCH PROJECTS Model of tropical forest structure and dynamics

    E-Print Network [OSTI]

    Hill, Jeffrey E.

    ONGOING RESEARCH PROJECTS Model of tropical forest structure and dynamics There is a need canopy structure and partitions dynamic rates for a tropical forest on Barro Colorado Island (BCI structure and partitions dynamic rates in a tropical forest. In Review. Journal of Ecology. #12;PPA model

  7. Modeling the Jovian subnebula: II - Composition of regular satellites ices

    E-Print Network [OSTI]

    Olivier Mousis; Yann Alibert

    2005-10-28T23:59:59.000Z

    We use the evolutionary turbulent model of Jupiter's subnebula described by Alibert et al. (2005a) to constrain the composition of ices incorporated in its regular icy satellites. We consider CO2, CO, CH4, N2, NH3, H2S, Ar, Kr, and Xe as the major volatile species existing in the gas-phase of the solar nebula. All these volatile species, except CO2 which crystallized as a pure condensate, are assumed to be trapped by H2O to form hydrates or clathrate hydrates in the solar nebula. Once condensed, these ices were incorporated into the growing planetesimals produced in the feeding zone of proto-Jupiter. Some of these solids then flowed from the solar nebula to the subnebula, and may have been accreted by the forming Jovian regular satellites. We show that ices embedded in solids entering at early epochs into the Jovian subdisk were all vaporized. This leads us to consider two different scenarios of regular icy satellites formation in order to estimate the composition of the ices they contain. In the first scenario, icy satellites were accreted from planetesimals that have been produced in Jupiter's feeding zone without further vaporization, whereas, in the second scenario, icy satellites were accreted from planetesimals produced in the Jovian subnebula. In this latter case, we study the evolution of carbon and nitrogen gas-phase chemistries in the Jovian subnebula and we show that the conversions of N2 to NH3, of CO to CO2, and of CO to CH4 were all inhibited in the major part of the subdisk. Finally, we assess the mass abundances of the major volatile species with respect to H2O in the interiors of the Jovian regular icy satellites. Our results are then compatible with the detection of CO2 on the surfaces of Callisto and Ganymede and with the presence of NH3 envisaged in subsurface oceans within Ganymede and Callisto.

  8. Tree-Structured GARCH Models Francesco Audrino and Peter Buhlmann

    E-Print Network [OSTI]

    Buehlmann, Peter

    Tree-Structured GARCH Models Francesco Audrino and Peter Buhlmann #3; ETH Zurich, Switzerland Revised Version February 2001 Abstract We propose a new GARCH model with tree-structured multiple tree where every terminal node parameterizes a (local) GARCH model for a partition cell

  9. MODELING WITH STRUCTURE OF RESINS IN ELECTRONIC , Tadahiro SHIBUTANI*

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    MODELING WITH STRUCTURE OF RESINS IN ELECTRONIC COMPONENTS Qiang YU* , Tadahiro SHIBUTANI* , Masaki model of the interfacial structure of resin in electronic components was proposed. Bimaterial model, interfacial fracture becomes one of the most important problems in the assessment of reliability

  10. Cu{sup II} coordination polymers based on 5-methoxyisophthalate and flexible N-donor ligands: Structures and magnetic properties

    SciTech Connect (OSTI)

    Chang, Xin-Hong; Qin, Jian-Hua [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); Ma, Lu-Fang, E-mail: mazhuxp@126.com [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); Wang, Li-Ya, E-mail: wlya@lynu.edu.cn [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022 (China); College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061 (China)

    2014-04-01T23:59:59.000Z

    Three Cu{sup II} coordination polymers, ([Cu{sub 2}(CH{sub 3}O-ip){sub 2}(bmib)]){sub n} (1), ([Cu{sub 2}(CH{sub 3}O-ip){sub 2}(bmib){sub 2}]){sub n} (2) and ([Cu(CH{sub 3}O-ip)(bbip)]?2H{sub 2}O){sub n} (3) (CH{sub 3}O-H{sub 2}ip is 5-methoxyisophthalic acid, bmib is 1,4-bis(2-methylimidazol-1-yl)butane and bbip is 1,3-bis(1H-benzimidazolyl)propane), have been synthesized by hydrothermal methods. Complexes 1–3 were structurally characterized by elemental analysis, infrared (IR) spectra and X-ray single-crystal diffraction. Complex 1 shows a 3D six-connected self-penetrating network based on paddlewheel secondary building units. Complex 2 has a 3-fold interpenetrating 3D diamond framework. Complex 3 possesses a 1D tube-like chain. Thermo-gravimetric and magnetic properties of 1–3 were also investigated. - Graphical abstract: Structures and magnetic properties of copper(II) coordination polymers constructed from 5-methoxyisophthalate linker and two flexible N-donor ancillary ligands. Three copper(II) coordination polymers with 5-methoxyisophthalate and two related flexible N-donor ancillary ligands have been synthesized and structurally characterized. Moreover, thermal behaviors and magnetic properties of these complexes have also been investigated. - Highlights: • Three Cu(II) coordination polymers were synthesized. • The conformations of N-donor ligands and pH value have an effect on the final structures. • The magnetic properties of 1–3 have been investigated.

  11. Mg II Selected Absorbers: Ionization structures and a Survey of Weak Systems

    E-Print Network [OSTI]

    Christopher W. Churchill

    1997-09-12T23:59:59.000Z

    First results from a study of high ionization absorption properties in roughly 30 Mg II absorption selected galaxies are presented. We have tested for correlations of Mg II, C IV, Si IV, N V, and O VI equivalent widths with the galaxy properties and Mg II gas kinematics. The results are suggestive of multi-phase halos with little to no global ionization gradient with impact parameter. C IV may arise in both the Mg II - Lyman alpha clouds and a high ionization "halo" traced by O VI. We also report on an unbiased survey for weak Mg II systems using HIRES/Keck spectra. At = 0.9, we find dN/dz = 1.6 +/- 0.1 for 0.02 = -0.3 +/- 0.4 measured for the sample. We suggest that weak Mg II absorbers comprise a substantial yet-to-be explored population. If weak systems select the LSB and/or dwarf galaxy population, then the weakest Mg II absorbers may provide one of the most sensitive tracers of chemical enrichment and evolution of the UV background from z = 2 to z = 0.

  12. A Preliminary Structural Model for the Blue Mountain Geothermal...

    Open Energy Info (EERE)

    Preliminary Structural Model for the Blue Mountain Geothermal Field, Humboldt County, Nevada Jump to: navigation, search OpenEI Reference LibraryAdd to library Conference Paper: A...

  13. A Structural Model Guide For Geothermal Exploration In Ancestral...

    Open Energy Info (EERE)

    search OpenEI Reference LibraryAdd to library Journal Article: A Structural Model Guide For Geothermal Exploration In Ancestral Mount Bao, Leyte, Philippines Abstract The...

  14. Optimization Online - A Structure-Conveying Modelling Language ...

    E-Print Network [OSTI]

    Marco Colombo

    2009-03-24T23:59:59.000Z

    Mar 24, 2009 ... A Structure-Conveying Modelling Language for Mathematical and Stochastic Programming. Marco Colombo (m.colombo ***at*** ed.ac.uk)

  15. Modeling Structural Properties of Breast Cancer Cells at NERSC

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

    Biological cells Modeling structural properties of cells Goals To advance in detection, characterization, analysis and predictions of biological cells and their inherent...

  16. antibody structural model: Topics by E-print Network

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

    for current cosmic acceleration. By deriving and solving the equations governing the evolution of the structure in the Universe, we show that this model predicts a pattern of...

  17. Temperature fluctuations in H II regions: t2 for the two-phase model

    E-Print Network [OSTI]

    Y. Zhang; B. Ercolano; X. -W. Liu

    2007-01-05T23:59:59.000Z

    Aims: We investigate temperature fluctuations in H II regions in terms of a two-phase model, which assumes that the nebular gas consists of a hot and a cold phase. Methods: We derive general formulae for T([O III), the [O III] forbidden line temperature, and T(H I), the hydrogen Balmer jump temperature, in terms of the temperatures of the hot and cold phases, T_h and T_c. Results: For large temperature differences, the values of t2 required to account for the observed difference between T([O III]) and T(H I) are much lower than those deduced using the classical formulae that assume random and small amplitude temperature fluctuations. One should therefore be cautious when using a two-phase model to account for empirically derived $t^2$ values. We present a correction of a recent work by Giammanco & Beckman, who use a two-phase model to estimate the ionization rate of H II regions by cosmicrays. We show that a very small amount of cold gas is sufficient to account for t2 values typically inferred for H II regions.

  18. Structural And Physical Characterization of Tetranuclear [Mn**II(3)Mn**IV] And [Mn**II(2)Mn**III(2)] Valence-Isomer Manganese Complexes

    SciTech Connect (OSTI)

    Zaleski, C.M.; Weng, T.-C.; Dendrinou-Samara, C.; Alexiou, M.; Kanakaraki, P.; Hsieh, W.-Y.; Kampf, J.; Penner-Hahn, J.E.; Pecoraro, V.L.; Kessissoglou, D.P.

    2009-05-28T23:59:59.000Z

    Two tetranuclear Mn complexes with an average Mn oxidation state of +2.5 have been prepared. These valence isomers have been characterized by a combination of X-ray crystallography, X-ray absorption spectroscopy, and magnetic susceptibility. The Mn{sup II}{sub 3}Mn{sup IV} tetramer has the Mn ions arranged in a distorted tetrahedron, with an S = 6 ground spin state, dominated by ferromagnetic exchange among the manganese ions. The Mn{sup II}{sub 2}Mn{sup III}{sub 2} tetramer also has a distorted tetrahedral arrangement of Mn ions but shows magnetic behavior, suggesting that it is a single-molecule magnet. The X-ray absorption near-edge structure (XANES) spectra for the two complexes are similar, suggesting that, while Mn XANES has sufficient sensitivity to distinguish between trinuclear valence isomers (Alexiou et al. Inorg. Chem. 2003, 42, 2185), similar distinctions are difficult for tetranuclear complexes such as that found in the photosynthetic oxygen-evolving complex.

  19. Robust nite-di erence modelling of complex structures1

    E-Print Network [OSTI]

    Oprsal, Ivo

    with the 1Proc. of HIGH PERFORMANCE COMPUTING IN SEISMIC MODELLING, An International Sympo- sium, Zaragoza-difference modelling of complex structures Paper No. 15 in Proc. of Int. Symposium on High Performance Computing

  20. Transient PVT measurements and model predictions for vessel heat transfer. Part II.

    SciTech Connect (OSTI)

    Felver, Todd G.; Paradiso, Nicholas Joseph; Winters, William S., Jr.; Evans, Gregory Herbert; Rice, Steven F.

    2010-07-01T23:59:59.000Z

    Part I of this report focused on the acquisition and presentation of transient PVT data sets that can be used to validate gas transfer models. Here in Part II we focus primarily on describing models and validating these models using the data sets. Our models are intended to describe the high speed transport of compressible gases in arbitrary arrangements of vessels, tubing, valving and flow branches. Our models fall into three categories: (1) network flow models in which flow paths are modeled as one-dimensional flow and vessels are modeled as single control volumes, (2) CFD (Computational Fluid Dynamics) models in which flow in and between vessels is modeled in three dimensions and (3) coupled network/CFD models in which vessels are modeled using CFD and flows between vessels are modeled using a network flow code. In our work we utilized NETFLOW as our network flow code and FUEGO for our CFD code. Since network flow models lack three-dimensional resolution, correlations for heat transfer and tube frictional pressure drop are required to resolve important physics not being captured by the model. Here we describe how vessel heat transfer correlations were improved using the data and present direct model-data comparisons for all tests documented in Part I. Our results show that our network flow models have been substantially improved. The CFD modeling presented here describes the complex nature of vessel heat transfer and for the first time demonstrates that flow and heat transfer in vessels can be modeled directly without the need for correlations.

  1. Photosystem II

    ScienceCinema (OSTI)

    James Barber

    2010-09-01T23:59:59.000Z

    James Barber, Ernst Chain Professor of Biochemistry at Imperial College, London, gives a BSA Distinguished Lecture titled, "The Structure and Function of Photosystem II: The Water-Splitting Enzyme of Photosynthesis."

  2. 1Kaiserslautern 9/05 Structural Break Detection in Time Series ModelsStructural Break Detection in Time Series Models

    E-Print Network [OSTI]

    Regressive Modeling 4 pieces, 2.58 seconds. #12;4Kaiserslautern 9/05 Introduction Examples AR GARCH Stochastic for structural break estimation Simulation results Applications Simulation results for GARCH and SSM #12. Segmented GARCH model: where 0 = 1

  3. Smart Structures: Model Development and Control Applications

    E-Print Network [OSTI]

    for smart structure which utilize piezoelectric, electrostrictive, magnetostrictive or shape memory alloys are dictated by the design requirements for the system. For aeronautic and aerospace systems, control which, in certain aerospace structures, may require the scavenging of power from other components

  4. Predictive modeling of pedestal structure in KSTAR using EPED model

    SciTech Connect (OSTI)

    Han, Hyunsun; Kim, J. Y. [National Fusion Research Institute, Daejeon 305-806 (Korea, Republic of)] [National Fusion Research Institute, Daejeon 305-806 (Korea, Republic of); Kwon, Ohjin [Department of Physics, Daegu University, Gyeongbuk 712-714 (Korea, Republic of)] [Department of Physics, Daegu University, Gyeongbuk 712-714 (Korea, Republic of)

    2013-10-15T23:59:59.000Z

    A predictive calculation is given for the structure of edge pedestal in the H-mode plasma of the KSTAR (Korea Superconducting Tokamak Advanced Research) device using the EPED model. Particularly, the dependence of pedestal width and height on various plasma parameters is studied in detail. The two codes, ELITE and HELENA, are utilized for the stability analysis of the peeling-ballooning and kinetic ballooning modes, respectively. Summarizing the main results, the pedestal slope and height have a strong dependence on plasma current, rapidly increasing with it, while the pedestal width is almost independent of it. The plasma density or collisionality gives initially a mild stabilization, increasing the pedestal slope and height, but above some threshold value its effect turns to a destabilization, reducing the pedestal width and height. Among several plasma shape parameters, the triangularity gives the most dominant effect, rapidly increasing the pedestal width and height, while the effect of elongation and squareness appears to be relatively weak. Implication of these edge results, particularly in relation to the global plasma performance, is discussed.

  5. The internal structure of neutron stars and white dwarfs, and the Jacobi virial equation. II

    E-Print Network [OSTI]

    Claret, Antonio

    2013-01-01T23:59:59.000Z

    In a previous paper we have shown that the function \\Gamma(M, EOS)=\\alpha\\beta_{GR}/\\Lambda^{0.9}(R) is constant (~ 0.4) for pre main-sequence stars (PMS), white dwarfs (WD) and for some neutron star (NS) models, \\alpha_{GR} and \\beta_{GR} being the form-factors of the gravitational potential energy and of the moment of inertia. In order to investigate the structural evolution of another kind of celestial bodies, we use the MESA code to extend these calculations to gaseous planets. We show that the mentioned function is conserved for all models during the whole planetary evolution and is independent of the planet mass. We also analyse the causes for which the mentioned function is not conserved during some stellar evolutionary phases. With respect to the pre main-sequence up to the white dwarf cooling sequences, we have found a connection between the large variations of \\Gamma(M, EOS) during the intermediary evolutionary phases and the specific nuclear power. A threshold for the specific nuclear power was fou...

  6. A computer model to compare greenhouse structures

    E-Print Network [OSTI]

    Chiou, Jiun-Shian

    1989-01-01T23:59:59.000Z

    ). Woven polypropylene ground cover 0. 00068 (4). Sand (5). Others Structure (1). Connected even span house. material wood alone wood /w iron iron alone steel & alum. alum. alone Price (sq. ft. ) (2). Barrel vault house. material wood alone... wood /w iron iron alone steel & alum. alum. alone 1. 16 (3). Saran covered structure house material 26 wood alone wood /w iron iron alone steel & alum. alum. alone (4). Lath house. material wood alone Covering system (1). Polyethylene...

  7. Template Synthesis, Properties, and Crystal Structure of a Trigonal Bipyramidal Cobalt(II)

    E-Print Network [OSTI]

    Paik Suh, Myunghyun

    template5,7,23-25 probably because cobalt(II) species are usually air-sensitive and cannot stay, purified according to literature methods,28 and deaerated immediately prior to use. Measurements. Infrared on a Shimadzu 260 UV/vis spectrophotometer. Conductance measure- ments were performed by using a SUNTEX SC-170

  8. X-Ray Spectroscopy of II Pegasi: Coronal Temperature Structure, Abundances, and Variability

    E-Print Network [OSTI]

    Huenemoerder, David P.

    We have obtained high-resolution X-ray spectra of the coronally active binary II Pegasi (HD 224085), covering the wavelength range of 1.5-25 Å. For the first half of our 44 ks observation, the source was in a quiescent ...

  9. Aromatic carboxylate effect on dimensionality of three bis(benzimidazole)-based cobalt(II) coordination polymers: Syntheses, structures and properties

    SciTech Connect (OSTI)

    Zhang, Ju-Wen; Gong, Chun-Hua; Hou, Li-Li; Tian, Ai-Xiang; Wang, Xiu-Li, E-mail: wangxiuli@bhu.edu.cn

    2013-09-15T23:59:59.000Z

    Three new metal-organic coordination polymers [Co(4-bbc){sub 2}(bbbm)] (1), [Co(3,5-pdc)(bbbm)]·2H{sub 2}O (2) and [Co(1,4-ndc)(bbbm)] (3) (4-Hbbc=4-bromobenzoic acid, 3,5-H{sub 2}pdc=3,5-pyridinedicarboxylic acid, 1,4-H{sub 2}ndc=1,4-naphthalenedicarboxylic acid and bbbm=1,1-(1,4-butanediyl)bis-1H-benzimidazole) were hydrothermally synthesized and structurally characterized. Polymer 1 is a 1D chain formed by the bbbm ligands and Co{sup II} ions. Polymer 2 exhibits a 2D network with a (3·4·5)(3{sup 2}·4·5·6{sup 2}·7{sup 4}) topology. Polymer 3 possesses a 3D three-fold interpenetrating framework. The versatile structures of title polymers indicate that the aromatic carboxylates have an important influence on the dimensionality of 1–3. Moreover, the thermal stability, electrochemical and luminescent properties of 1–3 were investigated. - graphical abstract: Three bis(benzimidazole)-based cobalt(II) coordination polymers tuned by aromatic carboxylates were hydrothermally synthesized and structurally characterized. The aromatic carboxylates play a key role in the dimensionality of three polymers. The electrochemical and luminescent properties of three polymers were investigated. Display Omitted - Highlights: • Three bis(benzimidazole)-based cobalt(II) coordination polymers tuned by aromatic carboxylates were obtained. • The aromatic carboxylates have an important influence on the dimensionality of three polymers. • The electrochemical and luminescent properties of three polymers were investigated.

  10. Phase II Transport Model of Corrective Action Unit 98: Frenchman Flat, Nevada Test Site, Nye County, Nevada, Revision 1

    SciTech Connect (OSTI)

    Gregg Ruskuaff

    2010-01-01T23:59:59.000Z

    This document, the Phase II Frenchman Flat transport report, presents the results of radionuclide transport simulations that incorporate groundwater radionuclide transport model statistical and structural uncertainty, and lead to forecasts of the contaminant boundary (CB) for a set of representative models from an ensemble of possible models. This work, as described in the Federal Facility Agreement and Consent Order (FFACO) Underground Test Area (UGTA) strategy (FFACO, 1996; amended 2010), forms an essential part of the technical basis for subsequent negotiation of the compliance boundary of the Frenchman Flat corrective action unit (CAU) by Nevada Division of Environmental Protection (NDEP) and National Nuclear Security Administration Nevada Site Office (NNSA/NSO). Underground nuclear testing via deep vertical shafts was conducted at the Nevada Test Site (NTS) from 1951 until 1992. The Frenchman Flat area, the subject of this report, was used for seven years, with 10 underground nuclear tests being conducted. The U.S. Department of Energy (DOE), NNSA/NSO initiated the UGTA Project to assess and evaluate the effects of underground nuclear tests on groundwater at the NTS and vicinity through the FFACO (1996, amended 2010). The processes that will be used to complete UGTA corrective actions are described in the “Corrective Action Strategy” in the FFACO Appendix VI, Revision No. 2 (February 20, 2008).

  11. Iterative model-building, structure refinement, and density modification with the PHENIX AutoBuild Wizard

    E-Print Network [OSTI]

    Terwilliger, T. C.; Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545, USA; Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720, USA; Department of Haematology, University of Cambridge, Cambridge CB2 0XY, England

    2008-01-01T23:59:59.000Z

    Iterative model-building, structure refinement, and densitytool for iterative model- building, structure refinement andusing RESOLVE or TEXTAL model- building, RESOLVE statistical

  12. On the Identification of Nonparametric Structural Models

    E-Print Network [OSTI]

    Judea Pearl

    2011-01-01T23:59:59.000Z

    Definitions and Notation Models, Graphs, and Theories Wedistribution PT(X) Definition 1 Each theory in M correspondsfollowing definition of identifiability: any two theories is

  13. Learning Structural Changes of Gaussian Graphical Models in Controlled Experiments

    E-Print Network [OSTI]

    Zhang, Bai

    2012-01-01T23:59:59.000Z

    Graphical models are widely used in scienti fic and engineering research to represent conditional independence structures between random variables. In many controlled experiments, environmental changes or external stimuli can often alter the conditional dependence between the random variables, and potentially produce significant structural changes in the corresponding graphical models. Therefore, it is of great importance to be able to detect such structural changes from data, so as to gain novel insights into where and how the structural changes take place and help the system adapt to the new environment. Here we report an effective learning strategy to extract structural changes in Gaussian graphical model using l1-regularization based convex optimization. We discuss the properties of the problem formulation and introduce an efficient implementation by the block coordinate descent algorithm. We demonstrate the principle of the approach on a numerical simulation experiment, and we then apply the algorithm to...

  14. Artificial Neural Networks and Hidden Markov Models for Predicting the Protein Structures: The Secondary Structure

    E-Print Network [OSTI]

    1 Artificial Neural Networks and Hidden Markov Models for Predicting the Protein Structures advice on the development of this project #12;2 Artificial Neural Networks and Hidden Markov Models learning methods: artificial neural networks (ANN) and hidden Markov models (HMM) (Rost 2002; Karplus et al

  15. A computer model to compare greenhouse structures 

    E-Print Network [OSTI]

    Chiou, Jiun-Shian

    1989-01-01T23:59:59.000Z

    lath fences. (c). welded wire fabric bench with steel, galvanized steel tubing, or wooden framework and supports. (d). Wooden step-bench. (e). Others. The price of each bench is listed in square foot units. 2. Ground cover: (a). Concrete. (b... (semi-iron), iron alone (steel), steel and aluminum (aluminum alloy), and aluminum. There are five different designs for connected houses: conventional even span houses, barrel vault houses, saran-covered structure houses, and lath houses (1). Most...

  16. Reduced Order Structural Modeling of Wind Turbine Blades

    E-Print Network [OSTI]

    Jonnalagadda, Yellavenkatasunil

    2011-10-21T23:59:59.000Z

    Conventional three dimensional structural analysis methods prove to be expensive for the preliminary design of wind turbine blades. However, wind turbine blades are large slender members with complex cross sections. They can be accurately modeled...

  17. Computational and physical models of RNA structure Ralf Bundschuh

    E-Print Network [OSTI]

    Bundschuh, Ralf

    Partition function Definition The partition function of an RNA molecule with energy function E[S] is given;Molten RNA Energy model Energetics in molten phase Definition In the molten phase of RNA every base can;Boltzmann partition function Secondary structure Definition of RNA secondary structure Definition An RNA

  18. On the Vacuum Structure of the 3-2 Model

    E-Print Network [OSTI]

    Tomer Shacham

    2012-05-27T23:59:59.000Z

    The 3-2 model of dynamical supersymmetry breaking is revisited, with some incidentally new observations on the vacuum structure. Extra matter is then added, and the vacuum structure is further studied. The parametric dependence of the location of the vacuum provides a consistency check of Seiberg duality.

  19. Scientific uncertainties in atmospheric mercury models III: Boundary and initial conditions, model grid resolution, and Hg(II) reduction mechanism

    SciTech Connect (OSTI)

    Lin, Che-Jen [ORNL; Pongprueksa, Pruek [Lamar University; Lindberg, Steven Eric [ORNL; Jang, Carey [U.S. Environmental Protection Agency, Raleigh, North Carolina; Braverman, Thomas [U.S. Environmental Protection Agency, Raleigh, North Carolina; Bullock, Russell O [NOAA; Ho, Thomas [ORNL; Chu, Hsing-Wei [Lamar University

    2008-03-01T23:59:59.000Z

    In this study, the model response in terms of simulated mercury concentration and deposition to boundary condition (BC), initial condition (IC), model grid resolution (12 km versus 36 km), and two alternative Hg(II) reduction mechanisms, was investigated. The model response to the change of gaseous elemental mercury (GEM) concentration from 0 to 2 ngm3 in IC/BC is found to be very linear (r240.99) based on the results of sensitivity simulations in July 2001. An increase of 1 ngm3 of GEM in BC resulted in an increase of 0.81 ngm3 in the monthly average of total mercury concentration, and 1270 ngm2 in the monthly total deposition. IC has similar but weaker effects compared to those of BC. An increase of 1 ngm3 of GEM in IC resulted in an increase of 0.14 ngm3 in the monthly average of total mercury concentration, and 250 ngm2 in the monthly total deposition. Varying reactive gaseous mercury (RGM) or particulate mercury (PHg) in BC/IC has much less significant impact. Simulation results at different grid resolutions show good agreement (slope 0.950 1.026, r 0.816 0.973) in mercury concentration, dry deposition, and total deposition. The agreement in wet deposition is somewhat weaker (slope 0.770 0.794, r 0.685 0.892) due to the difference in emission dilution and simulated precipitation that subsequently change reaction rates in the aqueous phase. Replacing the aqueous Hg(II)-HO2 reduction by either RGM reduction by CO (51018cm3 molecule1 s1) or photoreduction of RGM (1105 s1) gives significantly better model agreement with the wet deposition measured by Mercury Deposition Network (MDN). Possible ranges of the reduction rates are estimated based on model sensitivity results. The kinetic estimate requires further verification by laboratory studies.

  20. Bounds on neutrino masses from leptogenesis in type-II seesaw models

    SciTech Connect (OSTI)

    Sahu, Narendra; Sankar, S. Uma [Department of Physics, Indian Institute of Technology, Bombay, Mumbai 400076 (India)

    2005-01-01T23:59:59.000Z

    The presence of the triplet {delta}{sub L} in left-right symmetric theories leads to type-II seesaw mechanism for the neutrino masses. In these models, assuming a normal mass hierarchy for the heavy Majorana neutrinos, we derive a lower bound on the mass of the lightest of heavy Majorana neutrinos from the leptogenesis constraint. From this bound we establish a consistent picture for the hierarchy of heavy Majorana neutrinos in a class of left-right symmetric models in which we identify the neutrino Dirac mass matrix with that of Fritzsch type charged lepton mass matrix. It is shown that these values are compatible with the current neutrino oscillation data.

  1. Structure formation in modified gravity models alternative to dark energy

    E-Print Network [OSTI]

    Kazuya Koyama

    2006-01-10T23:59:59.000Z

    We study structure formation in phenomenological models in which the Friedmann equation receives a correction of the form $H^{\\alpha}/r_c^{2-\\alpha}$, which realize an accelerated expansion without dark energy. In order to address structure formation in these model, we construct simple covariant gravitational equations which give the modified Friedmann equation with $\\alpha=2/n$ where $n$ is an integer. For $n=2$, the underlying theory is known as a 5D braneworld model (the DGP model). Thus the models interpolate between the DGP model ($n=2, \\alpha=1$) and the LCDM model in general relativity ($n \\to \\infty, \\alpha \\to 0$). Using the covariant equations, cosmological perturbations are analyzed. It is shown that in order to satisfy the Bianchi identity at a perturbative level, we need to introduce a correction term $E_{\\mu \

  2. Structure formation in modified gravity models alternative to dark energy

    E-Print Network [OSTI]

    Koyama, K

    2006-01-01T23:59:59.000Z

    We study structure formation in phenomenological models in which the Friedmann equation receives a correction of the form $H^{\\alpha}/r_c^{2-\\alpha}$, which realize an accelerated expansion without dark energy. In order to address structure formation in these model, we construct simple covariant gravitational equations which give the modified Friedmann equation with $\\alpha=2/n$ where $n$ is an integer. For $n=2$, the underlying theory is known as a 5D braneworld model (the DGP model). Thus the models interpolate between the DGP model ($n=2, \\alpha=1$) and the LCDM model in general relativity ($n \\to \\infty, \\alpha \\to 0$). Using the covariant equations, cosmological perturbations are analyzed. It is shown that in order to satisfy the Bianchi identity at a perturbative level, we need to introduce a correction term $E_{\\mu \

  3. Alternatives to traditional model comparison strategies for covariance structure models

    E-Print Network [OSTI]

    Preacher, K. J.; Cai, Li; MacCallum, R. C.

    2007-01-01T23:59:59.000Z

    involving an extension of recently introduced methods to nested model scenarios. Following our discussion of power, we further explore the potential value of adopting a model selection approach that avoids hypoth- a105 ?Chapter3?Preacher? ? 2007/2/12 ? 15... is literally true, there is an obvious logical problem in testing the null hypothesis that a model fits data perfectly in the population. Yet, this is precisely the hypothesis tested by the popular LR test of model a105 ?Chapter3?Preacher? ? 2007/2/12 ? 15...

  4. Model for heat-up of structures in VICTORIA

    SciTech Connect (OSTI)

    Bixler, N.E.

    1993-12-01T23:59:59.000Z

    VICTORIA is a mechanistic computer code that treats fission product behavior in the reactor coolant system during a severe accident. During an accident, fission products that deposit on structural surfaces produce heat loads that can cause fission products to revaporize and possibly cause structures, such as a pipe, to fail. This mechanism had been lacking from the VICTORIA model. This report describes the structural heat-up model that has recently been implemented in the code. A sample problem shows that revaporization of fission products can occur as structures heat up due to radioactive decay. In the sample problem, the mass of deposited fission products reaches a maximum, then diminishes. Similarly, temperatures of the deposited film and adjoining structure reach a maximum, then diminish.

  5. A covariant model for the nucleon spin structure

    E-Print Network [OSTI]

    Ramalho, G

    2015-01-01T23:59:59.000Z

    We present the results of the covariant spectator quark model applied to the nucleon structure function $f(x)$ measured in unpolarized deep inelastic scattering, and the structure functions $g_1(x)$ and $g_2(x)$ measured in deep inelastic scattering using polarized beams and targets ($x$ is the Bjorken scaling variable). The nucleon is modeled by a valence quark-diquark structure with $S,P$ and $D$ components. The shape of the wave functions and the relative strength of each component are fixed by making fits to the deep inelastic scattering data for the structure functions $f(x)$ and $g_1(x)$. The model is then used to make predictions on the function $g_2(x)$ for the proton and neutron.

  6. Graph/Network Visualization Data model: graph structures (relations,

    E-Print Network [OSTI]

    Fang, Shiaofen

    of physics #12;8 The Spring Model Using springs to represent node-node relations. Minimizing energy1 1 Graph/Network Visualization Data model: graph structures (relations, knowledge) and networks hierarchies #12;7 Sugiyama : Building Hierarchy Domain knowledge based. Designing heuristic, e.g. minimizing

  7. CDS Calibration with tractable structural models under uncertain credit quality

    E-Print Network [OSTI]

    Brigo, Damiano

    CDS Calibration with tractable structural models under uncertain credit quality Damiano Brigo-varying volatility and characterized by high tractability. The models can be calibrated exactly to credit spreads to exact calibration of Parmalat Credit Default Swap (CDS) data during the months preceding default

  8. Fast Bootstrap for Model Structure Selection A. Lendasse, V. Wertz

    E-Print Network [OSTI]

    Verleysen, Michel

    Fast Bootstrap for Model Structure Selection A. Lendasse, V. Wertz Cesame, UCL, av. Georges Lema Introduction In this paper we propose an effective procedure to reduce the computation time of a bootstrap approximation of the gene- ralization error in a family of nonlinear regression models. The bootstrap [1

  9. Compromise between neutrino masses and collider signatures in the type-II seesaw model

    SciTech Connect (OSTI)

    Chao Wei; Luo Shu; Xing Zhizhong; Zhou Shun [Institute of High Energy Physics, Chinese Academy of Sciences, P.O. Box 918, Beijing 100049 (China)

    2008-01-01T23:59:59.000Z

    A natural extension of the standard SU(2){sub L}xU(1){sub Y} gauge model to accommodate massive neutrinos is to introduce one Higgs triplet and three right-handed Majorana neutrinos, leading to a 6x6 neutrino mass matrix which contains three 3x3 submatrices, M{sub L}, M{sub D} and M{sub R}. We show that three light Majorana neutrinos (i.e., the mass eigenstates of {nu}{sub e}, {nu}{sub {mu}}, and {nu}{sub {tau}}) are exactly massless in this model, if and only if M{sub L}=M{sub D}M{sub R}{sup -1}M{sub D}{sup T} exactly holds. This no-go theorem implies that small but nonvanishing neutrino masses may result from a significant but incomplete cancellation between M{sub L} and M{sub D}M{sub R}{sup -1}M{sub D}{sup T} terms in the Type-II seesaw formula, provided three right-handed Majorana neutrinos are of O(1) TeV and experimentally detectable at the LHC. We propose three simple Type-II seesaw scenarios with the A{sub 4}xU(1){sub X} flavor symmetry and its explicit breaking to interpret the observed neutrino mass spectrum and neutrino mixing pattern. Such a TeV-scale neutrino model can be tested in two complementary ways: (1) searching for possible collider signatures of lepton number violation induced by the right-handed Majorana neutrinos and doubly-charged Higgs particles; and (2) searching for possible consequences of unitarity violation of the 3x3 neutrino mixing matrix in the future long-baseline neutrino oscillation experiments.

  10. Model for dynamic self-assembled magnetic surface structures.

    SciTech Connect (OSTI)

    Belkin, M.; Glatz, A.; Snezhko, A.; Aranson, I. S.; Materials Science Division; Northwestern Univ.

    2010-07-07T23:59:59.000Z

    We propose a first-principles model for the dynamic self-assembly of magnetic structures at a water-air interface reported in earlier experiments. The model is based on the Navier-Stokes equation for liquids in shallow water approximation coupled to Newton equations for interacting magnetic particles suspended at a water-air interface. The model reproduces most of the observed phenomenology, including spontaneous formation of magnetic snakelike structures, generation of large-scale vortex flows, complex ferromagnetic-antiferromagnetic ordering of the snake, and self-propulsion of bead-snake hybrids.

  11. Emergency Response Equipment and Related Training: Airborne Radiological Computer System (Model II)

    SciTech Connect (OSTI)

    David P. Colton

    2007-02-28T23:59:59.000Z

    The materials included in the Airborne Radiological Computer System, Model-II (ARCS-II) were assembled with several considerations in mind. First, the system was designed to measure and record the airborne gamma radiation levels and the corresponding latitude and longitude coordinates, and to provide a first overview look of the extent and severity of an accident's impact. Second, the portable system had to be light enough and durable enough that it could be mounted in an aircraft, ground vehicle, or watercraft. Third, the system must control the collection and storage of the data, as well as provide a real-time display of the data collection results to the operator. The notebook computer and color graphics printer components of the system would only be used for analyzing and plotting the data. In essence, the provided equipment is composed of an acquisition system and an analysis system. The data can be transferred from the acquisition system to the analysis system at the end of the data collection or at some other agreeable time.

  12. 4.462 / 4.441 Building Technologies II: Building Structural Systems I, Spring 2003

    E-Print Network [OSTI]

    Ochsendorf, John Allen

    This course serves as an introduction to the history, theory, and construction of basic structural systems with an introduction to energy issues in buildings. Emphasis is placed on developing an understanding of basic ...

  13. Self-Consistent Model of Roton Cluster Excitations in Liquid Helium II

    E-Print Network [OSTI]

    V. I. Kruglov; M. J. Collett

    2006-05-18T23:59:59.000Z

    We have proposed a model of roton cluster excitations in liquid helium~II based on a Schr\\"odinger-type equation with a self-consistent confining potential. We have derived an equation for the number of atoms in roton excitations, which can be treated as quantum $3{\\rm D}$ solitons, depending on vibrational quantum numbers. It is shown that the smallest roton cluster is in the symmetric vibrational quantum state and consists of 13 helium atoms. We have also used a modified Born approximation to calculate the $s$-scattering length for helium atoms. This allows us to calculate all parameters of Landau's roton excitation spectrum, in agreement to high accuracy with experimental measurements from neutron scattering.

  14. Sorption Speciation of Nickel(II) onto Ca-Montmorillonite: Batch, EXAFS Techniques and Modeling

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    management and remediation methods for contaminated environments. Sorption of Ni(II) on clay minerals has of sorption sites (such as exchange sites, amphoteric edge sites). Ni(II) sorption mechanisms on this mineral to clearly identify the adsorbed Ni(II) species on clay minerals, and to evaluate the interaction of Ni

  15. Swift heavy ion irradiation of Pt nanocrystals: II. Structural changes and H desorption

    SciTech Connect (OSTI)

    Giulian, R.; Araujo, L.L.; Kluth, P.; Sprouster, D.J.; Schnohr, C.S.; Byrne, A.P.; Ridgway, M.C. (ANU)

    2014-09-24T23:59:59.000Z

    The structural properties and H desorption from embedded Pt nanocrystals (NCs) following irradiation with swift heavy ions were investigated as a function of energy and fluence. From x-ray absorption near-edge spectroscopy analysis, Pt-H bonding was identified in NCs annealed in a forming gas (95% N{sub 2} + 5% H{sub 2}) ambient. The H content decreased upon irradiation and the desorption process was NC-size dependent such that larger NCs required a higher fluence to achieve a H-free state. Pt-H bonding and NC dissolution both perturbed the NC structural parameters (coordination number, bond-length and mean-square relative displacement) as determined with extended x-ray absorption fine structure measurements.

  16. Fe(II)-catalyzed Recrystallization of Goethite Revisited. | EMSL

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

    structural Fe in Fe(III) oxides and aqueous Fe(II) with no formation of secondary minerals or change in particle size or shape. Here we derive a mass balance model to quantify...

  17. Bridge Piers with Structural Fuses and Bi-Steel Columns. II: Analytical Investigation

    E-Print Network [OSTI]

    Bruneau, Michel

    , and to quantify the link ductility, lateral stiffness and strength. Strengths and stiffnesses equations keywords: Structural fuses; Buckling restrained braces; Steel plate shear links; Seismic; Bridges; Finite in replaceable fuses. Different types of fuses were investigated [buckling re- strained braces (BRBs) and steel

  18. Modeling of fluidized-bed combustion of coal: Phase II, final reports. Volume V. Appendix: stability and instability in fluidized-bed combustion

    SciTech Connect (OSTI)

    Louis, J.F.; Tung, S.E.

    1980-10-01T23:59:59.000Z

    This document is the fifth of the seven volumes series of our Phase II Final Report. The material developed in this volume has not been incorporated into the system model. It will be used as a precursor of a transient model to be developed in the next phase of our model work. There have been various fluidized combustor models of differing complexity and scope published in the literature. Most of these models have identified and predicted - often in satisfactory agreement with results from pilot units - the key steady state combustor characteristics such as the mass of carbon in the bed (carbon loading), the combustion efficiency, the sulfur retention by the solid sorbent and the pollutant (mainly NO/sub x/) emissions. These models, however, cannot be in most instances successfully used to study the extinction and ignition characteristics of the combustor because they are isothermal in structure in the sense that the bed temperature is not an output variable but rather an input one and must be a priori specified. In order to remedy these inadequacies of the previous models, we here present a comprehensive account of the formulation and some typical results of a new nonisothermal model which has been developed in order to study, among other things, the ignition and extinction characteristics of the AFBC units. This model is able to predict the temperature patterns in the bed, the carbon loading, the combustion efficiency and the O/sub 2/ and CO concentration profiles in the combustor for the different design or operational characteristics.

  19. Mechanical modeling of the growth of salt structures

    SciTech Connect (OSTI)

    Alfaro, R.A.M.

    1993-05-01T23:59:59.000Z

    A 2D numerical model for studying the morphology and history of salt structures by way of computer simulations is presented. The model is based on conservation laws for physical systems, a fluid marker equation to keep track of the salt/sediments interface, and two constitutive laws for rocksalt. When buoyancy alone is considered, the fluid-assisted diffusion model predicts evolution of salt structures 2.5 times faster than the power-law creep model. Both rheological laws predict strain rates of the order of 4.0 {times} 10{sup {minus}15}s{sup {minus}1} for similar structural maturity level of salt structures. Equivalent stresses and viscosities predicted by the fluid-assisted diffusion law are 10{sup 2} times smaller than those predicted by the power-law creep rheology. Use of East Texas Basin sedimentation rates and power-law creep rheology indicate that differential loading is an effective mechanism to induce perturbations that amplify and evolve to mature salt structures, similar to those observed under natural geological conditions.

  20. PHASE STRUCTURE OF TWISTED EGUCHI-KAWAI MODEL.

    SciTech Connect (OSTI)

    ISHIKAWA,T.; AZEYANAGI, T.; HANADA, M.; HIRATA, T.

    2007-07-30T23:59:59.000Z

    We study the phase structure of the four-dimensional twisted Eguchi-Kawai model using numerical simulations. This model is an effective tool for studying SU(N) gauge theory in the large-N limit and provides a nonperturbative formulation of the gauge theory on noncommutative spaces. Recently it was found that its Z{sub n}{sup 4} symmetry, which is crucial for the validity of this model, can break spontaneously in the intermediate coupling region. We investigate in detail the symmetry breaking point from the weak coupling side. Our simulation results show that the continuum limit of this model cannot be taken.

  1. Modeling H2 adsorption in carbon-based structures

    E-Print Network [OSTI]

    Lamonte, Kevin Anthony

    2009-05-15T23:59:59.000Z

    MODELING H2 ADSORPTION IN CARBON-BASED STRUCTURES A Thesis by KEVIN ANTHONY LAMONTE 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 2008 Major... Subject: Chemical Engineering MODELING H2 ADSORPTION IN CARBON-BASED STRUCTURES A Thesis by KEVIN ANTHONY LAMONTE Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements for the degree of MASTER...

  2. Search for Low Mass Exotic mesonic structures. Part II: attempts to understand the experimental results

    E-Print Network [OSTI]

    B. Tatischeff; E. Tomasi-Gustafsson

    2007-10-09T23:59:59.000Z

    Our previous paper, part I of the same study, shows the different experimental spectra used to conclude on the genuine existence of narrow, weakly excited mesonic structures, having masses below and a little above the pion (M=139.56 MeV) mass. This work \\cite{previous} was instigated by the observation, in the $\\Sigma^{+}$ disintegration: $\\Sigma^{+}\\to$pP$^{0}$, P$^{0}\\to\\mu^{-}\\mu^{+}$ \\cite{park}, of a narrow range of dimuon masses. The authors conclude on the existence of a neutral intermediate state P$_{0}$, with a mass M=214.3 MeV $\\pm$ 0.5 MeV. We present here some attempts to understand the possible nature of the structures observed in part I.

  3. Conventional Facilities Chapter 5: Structural Engineering 5-1 NSLS-II Preliminary Design Report

    E-Print Network [OSTI]

    Ohta, Shigemi

    .1.2 DOE Orders DOE O5480.4 ­ Environmental Protection, Safety and Health Protection Standards DOE O413.3A420.1B ­ Facility Safety DOE O420.2B ­ Safety of Accelerator Facilities 5.1.3 Codes, Standards STRUCTURAL ENGINEERING 5.1 Design Criteria 5.1.1 Codes and Standards The latest edition of the codes

  4. Model for Dynamic Self-Assembled Magnetic Surface Structures

    E-Print Network [OSTI]

    M. Belkin; A. Glatz; A. Snezhko; I. S. Aranson

    2010-02-02T23:59:59.000Z

    We propose a first-principles model for self-assembled magnetic surface structures on the water-air interface reported in earlier experiments \\cite{snezhko2,snezhko4}. The model is based on the Navier-Stokes equation for liquids in shallow water approximation coupled to Newton equations for interacting magnetic particles suspended on the water-air interface. The model reproduces most of the observed phenomenology, including spontaneous formation of magnetic snake-like structures, generation of large-scale vortex flows, complex ferromagnetic-antiferromagnetic ordering of the snake, and self-propulsion of bead-snake hybrids. The model provides valuable insights into self-organization phenomena in a broad range of non-equilibrium magnetic and electrostatic systems with competing interactions.

  5. Risk aggregation in Solvency II: How to converge the approaches of the internal models and those of the standard formula?

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    of the standard formula? Laurent Devineau Université de Lyon, Université Lyon 1, Laboratoire de Science the Solvency II economic capital: the use of a standard formula or the use of an internal model (global demonstrate that the standard formula can be considered as a first order approximation of the result

  6. Tests of an Ensemble Kalman Filter for Mesoscale and Regional-Scale Data Assimilation. Part II: Imperfect Model Experiments

    E-Print Network [OSTI]

    Meng, Zhiyong

    Tests of an Ensemble Kalman Filter for Mesoscale and Regional-Scale Data Assimilation. Part II In Part I of this two-part work, the feasibility of using an ensemble Kalman filter (EnKF) for mesoscale that using an ensemble Kalman filter (EnKF) in the context of a perfect model (i.e., both the truth

  7. Inclusive Search for Standard Model Higgs Boson Production in the WW Decay Channel Using the CDF II Detector

    E-Print Network [OSTI]

    Xie, Si

    We present a search for standard model (SM) Higgs boson production using pp? collision data at ?s=1.96??TeV, collected with the CDF II detector and corresponding to an integrated luminosity of 4.8??fb[superscript -1]. We ...

  8. Viscoelastic Model for Lung Parenchyma for Multi-Scale Modeling of Respiratory System, Phase II: Dodecahedral Micro-Model

    SciTech Connect (OSTI)

    Freed, Alan D.; Einstein, Daniel R.; Carson, James P.; Jacob, Rick E.

    2012-03-01T23:59:59.000Z

    In the first year of this contractual effort a hypo-elastic constitutive model was developed and shown to have great potential in modeling the elastic response of parenchyma. This model resides at the macroscopic level of the continuum. In this, the second year of our support, an isotropic dodecahedron is employed as an alveolar model. This is a microscopic model for parenchyma. A hopeful outcome is that the linkage between these two scales of modeling will be a source of insight and inspiration that will aid us in the final year's activity: creating a viscoelastic model for parenchyma.

  9. Forward Modeling of Active Region Coronal Emissions. II. Implications for Coronal Heating This article has been downloaded from IOPscience. Please scroll down to see the full text article.

    E-Print Network [OSTI]

    McTiernan, James M.

    Forward Modeling of Active Region Coronal Emissions. II. Implications for Coronal Heating of Contents and more related content is available Home Search Collections Journals About Contact us My IOPscience #12;FORWARD MODELING OF ACTIVE REGION CORONAL EMISSIONS. II. IMPLICATIONS FOR CORONAL HEATING L. L

  10. Transport-theoretic model for the electron-proton-hydrogen atom auroa. II. Model results

    SciTech Connect (OSTI)

    Strickland, D.J. [Computational Physics, Inc., Fairfax, VA (United States); Daniell, R.E. Jr. [Computational Physics, Inc., Newton, MA (United States); Basu, B. [Hanscom Air Force Base, MA (United States)] [and others

    1993-12-01T23:59:59.000Z

    In a companion paper, a self-consistent transport-theoretic model for the combined electron-proton-hydrogen atom aurora was described. In this paper, numberical results based on the model are presented. This is done for the pure electron aurora, the pure proton-hydrogen atom aurora, and finally for the combined aurora. Adopting commonly used types of energy distributions for the incident particle (electron and proton) fluxes, the authors give numerical solutions for the precipitating electron, proton, and hydrogen atom differential number fluxes. Results are also given for ionization yields and emission yields of the following features: N{sub 2}{sup +} first negative group (3914 {Angstrom}), N{sub 2} second positive group (3371 {Angstrom}), selected N{sub 2} Lyman-Birge-Hopfields bands (1325, 1354, 1383, 1493, and all bands between 1700 and 1800 {Angstrom}), O I (1356 {Angstrom}), L{sub {alpha}} (1216 {Angstrom}), H{sub {beta}} (4861 {Angstrom}), and H{sub {alpha}} (6563 {Angstrom}). The yield at 1493 {Angstrom} also contains a contribution from N I (1493 {Angstrom}), which in fact dominates LBH emission. A major new result of this study is that the secondary electron flux produced by the proton-hydrogen atom aurora is much softer than that produced by the electron aurora. This increased softness is due to the fact that (for energies of aurora interest) cross sections for secondary electron flux produced by the proton-hydrogen atom aurora is much softer than that produced by the electron aurora. This increased softness is due to the fact that (for energies of auroral interest) cross sections for secondary electron production by proton and hydrogen atom impact decrease exponentially with increasing secondary electron energy, whereas the cross sections for electron impact decrease as an inverse power law with increasing secondary energy.

  11. Band structures of II-VI semiconductors using Gaussian basis functions with separable ab initio pseudopotentials: Application to prediction of band offsets

    E-Print Network [OSTI]

    Goddard III, William A.

    -74), Division of Chemistry and Chemical Engineering (CN9043), California Institute of Technology, Pasadena of pseudopotentials PP signifi- cantly reduces numerical errors since the energy spectra width is greatly reduced due general cases; 3 to provide an electronic structure database for II-VI semiconductors for further studies

  12. Knowledge Structures and Didactic Model Selection in Learning Object Navigation

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Knowledge Structures and Didactic Model Selection in Learning Object Navigation Dietrich Albert' of the content of the learning objects, and (2) a `didactic preference level' of the specific preferences constraints and the didactic constraints are available. 1 Introduction According to the SCORM (Shareable

  13. A lattice model to simulate ice-structure interaction

    E-Print Network [OSTI]

    Boyer, Edmond

    A lattice model to simulate ice-structure interaction O. Dorival, A. V. Metrikine, A. Simone of Technology P. O. Box 5048, 2600 GA Delft, Netherlands Abstract The interaction between ice sheets, due to the complexity of ice material the use of small-scale experiments is problematic if one aims

  14. MULTILEVEL FAST MULTIPOLE METHOD FOR MODELING PERMEABLE STRUCTURES

    E-Print Network [OSTI]

    Sarabandi, Kamal

    MULTILEVEL FAST MULTIPOLE METHOD FOR MODELING PERMEABLE STRUCTURES USING CONFORMAL FINITE ELEMENTS #12;Copyright c Kubilay Sertel All Rights Reserved 2003 #12;ABSTRACT MULTILEVEL FAST MULTIPOLE METHOD fast multipole method for impen- etrable targets in the context of flat-triangular geometry

  15. Modeling emergent large-scale structures of barchan dune fields

    E-Print Network [OSTI]

    Claudin, Philippe

    that cannot be readily explained by examining the dynamics at the scale of single dunes, or by appealingModeling emergent large-scale structures of barchan dune fields S. Worman , A.B. Murray , R for a range of field-scale phenomena including isolated patches of dunes and heterogeneous arrangements

  16. Modelling the human rhesus proteins: implications for structure and function

    E-Print Network [OSTI]

    Merrick, Mike

    D and RhAG using the structure of the Escherichia coli ammonia channel AmtB as a template, together, slime moulds and marine sponges (Huang & Liu, 2001). Rh proteins show sequence homology to ammonium mechanism. The E. coli AmtB protein is a homotrimer and our models provoke a reassessment of the widely

  17. THE CONSTRUCTION AND EVALUATION OF STATISTICAL MODELS OF MELODIC STRUCTURE

    E-Print Network [OSTI]

    Pearce, Marcus T.

    THE CONSTRUCTION AND EVALUATION OF STATISTICAL MODELS OF MELODIC STRUCTURE IN MUSIC PERCEPTION and composition is to construct systems of symbolic rules and constraints on the basis of extensive music at the Royal College of Music who went out of their way to help me in recruiting judges for the experiments

  18. POSITION PAPER Modelling the Contribution Structure Underlying Requirements

    E-Print Network [OSTI]

    Finkelstein, Anthony

    POSITION PAPER Modelling the Contribution Structure Underlying Requirements Orlena C. Z. Gotel, and hence trace, those who have contributed in the production and refinement of the requirements the restricted impact that conventional notions of RT can have on quality, and explain why extensions

  19. Models for Offender Target Location Selection with Explicit Dependency Structures

    E-Print Network [OSTI]

    O'Leary, Michael

    Models for Offender Target Location Selection with Explicit Dependency Structures Mike O'Leary April 30 - May 1, 2012 O'Leary & Tucker (Towson University) Target Location Selection QMDNS 2012 1 / 54 in this study We thank Phil Canter from the Baltimore County Police Department for his assistance. O'Leary

  20. SEMINARIOS INTERUNIVERSITARIOS MECNICA Y MATERIALES STRUCTURAL MODELING OF BIOSOLIDS UNDER FINITE STRAINS

    E-Print Network [OSTI]

    Ariza Moreno, Pilar

    SEMINARIOS INTERUNIVERSITARIOS MECÁNICA Y MATERIALES STRUCTURAL MODELING OF BIOSOLIDS UNDER FINITE the detailed structure of a biosolid in a material model. We focus on the micro- structure of arterial walls

  1. Three tetranuclear copper(II) cluster-based complexes constructed from 4-amino-1,2,4-triazole and different aromatic carboxylates: Assembly, structures, electrochemical and magnetic properties

    SciTech Connect (OSTI)

    Wang, Xiu-Li, E-mail: wangxiuli@bhu.edu.cn [Department of Chemistry, Bohai University, Liaoning Province Silicon Materials Engineering Technology Research Centre, Jinzhou 121000 (China)] [Department of Chemistry, Bohai University, Liaoning Province Silicon Materials Engineering Technology Research Centre, Jinzhou 121000 (China); Zhao, Wei; Zhang, Ju-Wen; Lu, Qi-Lin [Department of Chemistry, Bohai University, Liaoning Province Silicon Materials Engineering Technology Research Centre, Jinzhou 121000 (China)] [Department of Chemistry, Bohai University, Liaoning Province Silicon Materials Engineering Technology Research Centre, Jinzhou 121000 (China)

    2013-02-15T23:59:59.000Z

    Three new tetranuclear copper(II) cluster-based complexes constructed from 4-amino-1,2,4-triazole (atrz) and three types of aromatic carboxylates, [Cu{sub 4}({mu}{sub 3}-OH){sub 2}(atrz){sub 2}(DNBA){sub 6}] (1), [Cu{sub 4}({mu}{sub 3}-OH){sub 2}(atrz){sub 2}(1,3-BDC){sub 3}]{center_dot}2H{sub 2}O (2) and [Cu{sub 4}({mu}{sub 3}-OH){sub 2}(atrz){sub 2}(SIP){sub 2}]{center_dot}4H{sub 2}O (3) (HDNBA=3,5-dinitrobenzoic acid, 1,3-H{sub 2}BDC=1,3-benzenedicarboxylic acid and NaH{sub 2}SIP=sodium 5-sulfoisophthalate), have been hydrothermally synthesized and structurally characterized. Complex 1 displays a single-molecular Cu{sup II}{sub 4} cluster structure, which is further connected by the intermolecular hydrogen-bonding interactions to form a 2D supramolecular layer. In 2, there also exist tetranuclear Cu{sup II}{sub 4} clusters, which are linked by the 1,3-BDC anions to give a 3D NaCl-type framework. In 3, the Cu{sup II}{sub 4} clusters are connected by the carboxyl and sulfo groups of SIP anions to generate 3D (4,8)-connected framework with a (4{sup 10}{center_dot}6{sup 14}{center_dot}8{sup 4})(4{sup 5}{center_dot}6){sub 2} topology. The atrz ligand conduces to the construction of tetranuclear copper(II) clusters and the carboxylates with different non-carboxyl substituent show important effects on the final structures of the title complexes. The electrochemical and magnetic properties of 1-3 have been investigated. - Graphical abstract: Three tetranuclear copper(II) cluster-based complexes based on different carboxylates have been synthesized under hydrothermal conditions. The carboxylate anions play a key role in the formation of three different structures. Highlights: Black-Right-Pointing-Pointer Three new tetranuclear copper(II) cluster-based complexes have been obtained. Black-Right-Pointing-Pointer The atrz conduces to the construction of tetranuclear copper(II) clusters. Black-Right-Pointing-Pointer Carboxylates show important effect on the structures of title complexes. Black-Right-Pointing-Pointer Magnetic properties and electrochemical behaviors have been reported.

  2. Discrete-Time Dataflow Models for Visual Simulation in Ptolemy II

    E-Print Network [OSTI]

    in Ptolemy II is a timed extension of the Synchronous Dataflow (SDF) domain. Although not completely backward compatible with SDF, DT keeps most of the desirable properties of SDF like static scheduling, regular in Ptolemy II 3.2 Synchronous Dataflow (SDF) Domain 3.3 Discrete Event (DE) Domain 3.4 Continuous Time (CT

  3. Freezing lines of colloidal Yukawa spheres. II. Local structure and characteristic lengths

    SciTech Connect (OSTI)

    Gapinski, Jacek, E-mail: gapinski@amu.edu.pl; Patkowski, Adam [Molecular Biophysics Division, Faculty of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Pozna? (Poland); NanoBioMedical Center, A. Mickiewicz University, Umultowska 85, 61-614 Pozna? (Poland); Nägele, Gerhard [Institute of Complex Systems (ICS-3), Forschungszentrum Jülich, D-52425 Jülich (Germany)

    2014-09-28T23:59:59.000Z

    Using the Rogers-Young (RY) integral equation scheme for the static pair correlation functions combined with the liquid-phase Hansen-Verlet freezing rule, we study the generic behavior of the radial distribution function and static structure factor of monodisperse charge-stabilized suspensions with Yukawa-type repulsive particle interactions at freezing. In a related article, labeled Paper I [J. Gapinski, G. Nägele, and A. Patkowski, J. Chem. Phys. 136, 024507 (2012)], this hybrid method was used to determine two-parameter freezing lines for experimentally controllable parameters, characteristic of suspensions of charged silica spheres in dimethylformamide. A universal scaling of the RY radial distribution function maximum is shown to apply to the liquid-bcc and liquid-fcc segments of the universal freezing line. A thorough analysis is made of the behavior of characteristic distances and wavenumbers, next-neighbor particle coordination numbers, osmotic compressibility factor, and the Ravaché-Mountain-Streett minimum-maximum radial distribution function ratio.

  4. Analytic Model of the Universal Structure of Turbulent Boundary Layers

    E-Print Network [OSTI]

    Victor S. L'vov; Itamar Procaccia; Oleksii Rudenko

    2006-06-21T23:59:59.000Z

    Turbulent boundary layers exhibit a universal structure which nevertheless is rather complex, being composed of a viscous sub-layer, a buffer zone, and a turbulent log-law region. In this letter we present a simple analytic model of turbulent boundary layers which culminates in explicit formulae for the profiles of the mean velocity, the kinetic energy and the Reynolds stress as a function of the distance from the wall. The resulting profiles are in close quantitative agreement with measurements over the entire structure of the boundary layer, without any need of re-fitting in the different zones.

  5. Effects of chronic receptor blockade on intracardiac angiotensin II and aldosterone content in an angiotensin II-infused model of hypertension

    E-Print Network [OSTI]

    Conte, Debra Ann

    2011-01-01T23:59:59.000Z

    During Ang II-Induced Hypertension: Role of AT1 Receptor.Hypertension 39: 116-121, 2002. Zou L, Hymel A, Imig J, andAngiotensin II-Infused Rats. Hypertension 27: 658-662, 1996.

  6. APOLLO II

    SciTech Connect (OSTI)

    Sanchez, R.; Mondot, J.; Stankovski, Z.; Cossic, A.; Zmijarevic, I.

    1988-11-01T23:59:59.000Z

    APOLLO II is a new, multigroup transport code under development at the Commissariat a l'Energie Atomique. The code has a modular structure and uses sophisticated software for data structuralization, dynamic memory management, data storage, and user macrolanguage. This paper gives an overview of the main methods used in the code for (a) multidimensional collision probability calculations, (b) leakage calculations, and (c) homogenization procedures. Numerical examples are given to demonstrate the potential of the modular structure of the code and the novel multilevel flat-flux representation used in the calculation of the collision probabilities.

  7. Final Report: Phase II Nevada Water Resources Data, Modeling, and Visualization (DMV) Center

    SciTech Connect (OSTI)

    Jackman, Thomas [Desert Research Institute] [Desert Research Institute; Minor, Timothy [Desert Research Institute] [Desert Research Institute; Pohll, Gregory [Desert Research Institute] [Desert Research Institute

    2013-07-22T23:59:59.000Z

    Water is unquestionably a critical resource throughout the United States. In the semi-arid west -- an area stressed by increase in human population and sprawl of the built environment -- water is the most important limiting resource. Crucially, science must understand factors that affect availability and distribution of water. To sustain growing consumptive demand, science needs to translate understanding into reliable and robust predictions of availability under weather conditions that could be average but might be extreme. These predictions are needed to support current and long-term planning. Similar to the role of weather forecast and climate prediction, water prediction over short and long temporal scales can contribute to resource strategy, governmental policy and municipal infrastructure decisions, which are arguably tied to the natural variability and unnatural change to climate. Change in seasonal and annual temperature, precipitation, snowmelt, and runoff affect the distribution of water over large temporal and spatial scales, which impact the risk of flooding and the groundwater recharge. Anthropogenic influences and impacts increase the complexity and urgency of the challenge. The goal of this project has been to develop a decision support framework of data acquisition, digital modeling, and 3D visualization. This integrated framework consists of tools for compiling, discovering and projecting our understanding of processes that control the availability and distribution of water. The framework is intended to support the analysis of the complex interactions between processes that affect water supply, from controlled availability to either scarcity or deluge. The developed framework enables DRI to promote excellence in water resource management, particularly within the Lake Tahoe basin. In principle, this framework could be replicated for other watersheds throughout the United States. Phase II of this project builds upon the research conducted during Phase I, in which the hydrologic framework was investigated and the development initiated. Phase II concentrates on practical implementation of the earlier work but emphasizes applications to the hydrology of the Lake Tahoe basin. Phase 1 efforts have been refined and extended by creating a toolset for geographic information systems (GIS) that is usable for disparate types of geospatial and geo-referenced data. The toolset is intended to serve multiple users for a variety of applications. The web portal for internet access to hydrologic and remotely sensed product data, prototyped in Phase I, has been significantly enhanced. The portal provides high performance access to LANDSAT-derived data using techniques developed during the course of the project. The portal is interactive, and supports the geo-referenced display of hydrologic information derived from remotely sensed data, such as various vegetative indices used to calculate water consumption. The platform can serve both internal and external constituencies using inter-operating infrastructure that spans both sides of the DRI firewall. The platform is intended grow its supported data assets and to serve as a template for replication to other geographic areas. An unanticipated development during the project was the use of ArcGIS software on a new computer system, called the IBM PureSytems, and the parallel use of the systems for faster, more efficient image processing. Additional data, independent of the portal, was collected within the Sagehen basin and provides detailed information regarding the processes that control hydrologic responses within mountain watersheds. The newly collected data include elevation, evapotranspiration, energy balance and remotely sensed snow-pack data. A Lake Tahoe basin hydrologic model has been developed, in part to help predict the hydrologic impacts of climate change. The model couples both the surface and subsurface hydrology, with the two components having been independently calibrated. Results from the coupled simulations involving both surface water and groundwater processes

  8. The case against scaling defect models of cosmic structure formation

    E-Print Network [OSTI]

    Andreas Albrecht; Richard A. Battye; James Robinson

    1997-07-11T23:59:59.000Z

    We calculate predictions from defect models of structure formation for both the matter and Cosmic Microwave Background (CMB) over all observable scales. Our results point to a serious problem reconciling the observed large-scale galaxy distribution with the COBE normalization, a result which is robust for a wide range of defect parameters. We conclude that standard scaling defect models are in conflict with the data, and show how attempts to resolve the problem by considering non-scaling defects would require radical departures from the standard scaling picture.

  9. Fine-structure constant constraints on Bekenstein-type models

    E-Print Network [OSTI]

    P. M. M. Leal; C. J. A. P. Martins; L. B. Ventura

    2014-07-15T23:59:59.000Z

    Astrophysical tests of the stability of dimensionless fundamental couplings, such as the fine-structure constant $\\alpha$, are an area of much increased recent activity, following some indications of possible spacetime variations at the few parts per million level. Here we obtain updated constraints on the Bekenstein-Sandvik-Barrow-Magueijo model, which is arguably the simplest model allowing for $\\alpha$ variations. Recent accurate spectroscopic measurements allow us to improve previous constraints by about an order of magnitude. We briefly comment on the dependence of the results on the data sample, as well as on the improvements expected from future facilities.

  10. Structure formation and CMBR anisotropy spectrum in the inflessence model

    E-Print Network [OSTI]

    A. A. Sen; V. F. Cardone; S. Capozziello; A. Troisi

    2006-07-25T23:59:59.000Z

    The inflessence model has recently been proposed in an attempt to explain both early inflation and present day accelerated expansion within a single mechanism. The model has been successfully tested against the Hubble diagram of Type Ia Supernovae, the shift parameter, and the acoustic peak parameter. As a further mandatory test, we investigate here structure formation in the inflessence model determining the evolution of matter density contrast $\\delta \\equiv \\delta \\rho_M/\\rho_M$ in the linear regime. We compare the growth factor $D(a) \\equiv \\delta/a$ and the growth index $f(z) \\equiv d\\ln{\\delta}/d\\ln{a}$ to these same quantities for the successful concordance $\\Lambda$CDM model with a particular emphasis on the role of the inflessence parameters $(\\gamma, z_Q)$. We also evaluate the anisotropy spectrum of the cosmic microwave background radiation (CMBR) to check whether the inflessence model may be in agreement with the observations. We find that, for large values of $(\\gamma, z_Q)$, structure formation proceeds in a similar way to that in the $\\Lambda$CDM scenario, and it is also possible to nicely fit the CMBR spectrum.

  11. Reduced order modeling of fluid/structure interaction.

    SciTech Connect (OSTI)

    Barone, Matthew Franklin; Kalashnikova, Irina; Segalman, Daniel Joseph; Brake, Matthew Robert

    2009-11-01T23:59:59.000Z

    This report describes work performed from October 2007 through September 2009 under the Sandia Laboratory Directed Research and Development project titled 'Reduced Order Modeling of Fluid/Structure Interaction.' This project addresses fundamental aspects of techniques for construction of predictive Reduced Order Models (ROMs). A ROM is defined as a model, derived from a sequence of high-fidelity simulations, that preserves the essential physics and predictive capability of the original simulations but at a much lower computational cost. Techniques are developed for construction of provably stable linear Galerkin projection ROMs for compressible fluid flow, including a method for enforcing boundary conditions that preserves numerical stability. A convergence proof and error estimates are given for this class of ROM, and the method is demonstrated on a series of model problems. A reduced order method, based on the method of quadratic components, for solving the von Karman nonlinear plate equations is developed and tested. This method is applied to the problem of nonlinear limit cycle oscillations encountered when the plate interacts with an adjacent supersonic flow. A stability-preserving method for coupling the linear fluid ROM with the structural dynamics model for the elastic plate is constructed and tested. Methods for constructing efficient ROMs for nonlinear fluid equations are developed and tested on a one-dimensional convection-diffusion-reaction equation. These methods are combined with a symmetrization approach to construct a ROM technique for application to the compressible Navier-Stokes equations.

  12. Structure formation in inhomogeneous Early Dark Energy models

    SciTech Connect (OSTI)

    Batista, R.C. [Escola de Ciências e Tecnologia, Universidade Federal do Rio Grande do Norte, Caixa Postal 1524, 59072-970, Natal, Rio Grande do Norte (Brazil); Pace, F., E-mail: rbatista@ect.ufrn.br, E-mail: francesco.pace@port.ac.uk [Institute of Cosmology and Gravitation, University of Portsmouth, Dennis Sciama Building, Portsmouth, PO1 3FX (United Kingdom)

    2013-06-01T23:59:59.000Z

    We study the impact of Early Dark Energy fluctuations in the linear and non-linear regimes of structure formation. In these models the energy density of dark energy is non-negligible at high redshifts and the fluctuations in the dark energy component can have the same order of magnitude of dark matter fluctuations. Since two basic approximations usually taken in the standard scenario of quintessence models, that both dark energy density during the matter dominated period and dark energy fluctuations on small scales are negligible, are not valid in such models, we first study approximate analytical solutions for dark matter and dark energy perturbations in the linear regime. This study is helpful to find consistent initial conditions for the system of equations and to analytically understand the effects of Early Dark Energy and its fluctuations, which are also verified numerically. In the linear regime we compute the matter growth and variation of the gravitational potential associated with the Integrated Sachs-Wolf effect, showing that these observables present important modifications due to Early Dark Energy fluctuations, though making them more similar to the ?CDM model. We also make use of the Spherical Collapse model to study the influence of Early Dark Energy fluctuations in the nonlinear regime of structure formation, especially on ?{sub c} parameter, and their contribution to the halo mass, which we show can be of the order of 10%. We finally compute how the number density of halos is modified in comparison to the ?CDM model and address the problem of how to correct the mass function in order to take into account the contribution of clustered dark energy. We conclude that the inhomogeneous Early Dark Energy models are more similar to the ?CDM model than its homogeneous counterparts.

  13. Flavor structure in D-brane models: Majorana neutrino masses

    E-Print Network [OSTI]

    Yuta Hamada; Tatsuo Kobayashi; Shohei Uemura

    2014-06-11T23:59:59.000Z

    We study the flavor structure in intersecting D-brane models. We study anomalies of the discrete flavor symmetries. We analyze the Majorana neutrino masses, which can be generated by D-brane instanton effects. It is found that a certain pattern of mass matrix is obtained and the cyclic permutation symmetry remains unbroken. As a result, trimaximal mixing matrix can be realized if Dirac neutrino mass and charged lepton mass matrices are diagonal.

  14. The Structure of the Homunculus: I. Shape and Latitude Dependence from H2 and [Fe II] Velocity Maps of Eta Carinae

    E-Print Network [OSTI]

    Nathan Smith

    2006-02-21T23:59:59.000Z

    High resolution long-slit spectra obtained with the Phoenix spectrograph on Gemini South provide our most accurate probe of the three dimensional structure of the Homunculus around eta Car. The new near-infrared spectra dramatically confirm the double-shell structure inferred previously from thermal dust emission, resolving the nebula into a very thin outer shell seen in H2 21218, and a warmer, thicker inner layer seen in [Fe II] 16435. The thin H2 skin hints that the most important mass loss during the 19th century eruption had a very short duration of less than 5 yr. H2 emission traces the majority of the mass in the nebula, and has an average density of order 10^6.5 cm-3. This emission, in turn, yields our first definitive picture of the exact shape of the nebula, plus a distance of 2350pm50 pc and an inclination angle of 41deg (the polar axis is tilted 49deg from the plane of the sky). The distribution of the H2 emission provides the first measure of the latitude dependence of the speed, mass loss, and kinetic energy associated with eta Car's 19th century explosion. Almost 75 percent of the total mass and more than 90 percent of the kinetic energy in the ejecta were released at high latitudes. This rules out a model for the bipolar shape wherein an otherwise spherical explosion was pinched at the waist by a circumstellar torus. Also, the ejecta could not have been deflected toward polar trajectories by a companion star, since the kinetic energy of the polar ejecta is greater than the binding energy of the putative binary system. Instead, most of the mass appears to have been directed poleward by the explosion itself. [abridged

  15. Thermo-mechanical structural modelling of FRP composite sandwich panels exposed to fire

    E-Print Network [OSTI]

    Ramroth, William T.

    2006-01-01T23:59:59.000Z

    CALIFORNIA, SAN DIEGO Thermo-mechanical Structural ModellingABSTRACT OF THE DISSERTATION Thermo-mechanical Structuralpolymer matrix), and thermo-mechanical (structural)

  16. Fluid--Structure Interaction : : Physiologic Simulation of Pulsatile Ventricular Assist Devices using Isogeometric Analysis

    E-Print Network [OSTI]

    Long, Christopher Curtis

    2013-01-01T23:59:59.000Z

    for prebending of wind turbine blades. 89:323–336, 2012. [wind turbine rotors at full scale. Part II: Fluid– structure interaction modeling with composite blades.

  17. Synthesis, crystal structure, and magnetic properties of bis(aqua)[?-(terepthalato-?o,?o´)]copper(II)monohydrate [Cu(C?O?)(OH?)?]·H?O

    SciTech Connect (OSTI)

    Nfor, Emmanuel N., E-mail: nforemman@gmail.com [Department of Chemistry, University of Buea, PO Box 63, Buea, SWR (Cameroon); Majoumo-Mbe, Felicite [Department of Chemistry, University of Buea, PO Box 63, Buea, SWR (Cameroon); Ndifon, Peter T. [Department of Inorganic Chemistry, Coordination Chemistry Laboratory, University of Yaounde I, PO Box 812, Yaounde (Cameroon); Duke, Emmanuel O. [Department of Pure and Applied Chemistry, University of Calabar, PMB 1115, Calabar, CRS (Nigeria); Mainsah, Evans N. [Department of Chemistry, University of Buea, PO Box 63, Buea, SWR (Cameroon); Offiong, Offiong E.; Eno, Ededet A. [Department of Pure and Applied Chemistry, University of Calabar, PMB 1115, Calabar, CRS (Nigeria)

    2013-05-01T23:59:59.000Z

    A novel one dimensional Cu(II) coordination polymer [Cu(C?O?)(OH?)?] ·H?O 1 has been synthesized and characterized by elemental analysis, IR spectroscopy, X-ray crystal diffraction and magnetic measurements. Single-crystal structural analysis shows that complex 1 consist of 1D Cu(II) chain containing threefold bridging ligands, one (syn–syn) carboxylate and two water molecules. The magnetic study of 1 has been investigated, indicating an overall antiferromagnetic interaction in the complex. - Graphical abstract: The complex [Cu(C?O?)(OH?)?] ·H?O was prepared by the reaction of solid copper(II)basic carbonate with an aqueous solution of sodium terephthalate under heating at 50–60 {sup o}C after which it was allowed to crystallize at room temperature. The structure of the complex is distorted octahedral. Magnetic study of the complex reveals antiferromagnetic behaviour. Highlights: • A novel copper(II) coordination polymer with terepthalate dianion was grown in an aqueous solution. • The single crystal growth temperature was 25 °C for period of two weeks. • The magnetic property of the complex was studied using SQUID. • The complex showed antiferromagnetic properties.

  18. Ultrafast Structural Dynamics in Combustion Relevant Model Systems

    SciTech Connect (OSTI)

    Weber, Peter M. [Brown University

    2014-03-31T23:59:59.000Z

    The research project explored the time resolved structural dynamics of important model reaction system using an array of novel methods that were developed specifically for this purpose. They include time resolved electron diffraction, time resolved relativistic electron diffraction, and time resolved Rydberg fingerprint spectroscopy. Toward the end of the funding period, we also developed time-resolved x-ray diffraction, which uses ultrafast x-ray pulses at LCLS. Those experiments are just now blossoming, as the funding period expired. In the following, the time resolved Rydberg Fingerprint Spectroscopy is discussed in some detail, as it has been a very productive method. The binding energy of an electron in a Rydberg state, that is, the energy difference between the Rydberg level and the ground state of the molecular ion, has been found to be a uniquely powerful tool to characterize the molecular structure. To rationalize the structure sensitivity we invoke a picture from electron diffraction: when it passes the molecular ion core, the Rydberg electron experiences a phase shift compared to an electron in a hydrogen atom. This phase shift requires an adjustment of the binding energy of the electron, which is measurable. As in electron diffraction, the phase shift depends on the molecular, geometrical structure, so that a measurement of the electron binding energy can be interpreted as a measurement of the molecule’s structure. Building on this insight, we have developed a structurally sensitive spectroscopy: the molecule is first elevated to the Rydberg state, and the binding energy is then measured using photoelectron spectroscopy. The molecule’s structure is read out as the binding energy spectrum. Since the photoionization can be done with ultrafast laser pulses, the technique is inherently capable of a time resolution in the femtosecond regime. For the purpose of identifying the structures of molecules during chemical reactions, and for the analysis of molecular species in the hot environments of combustion processes, there are several features that make the Rydberg ionization spectroscopy uniquely useful. First, the Rydberg electron’s orbit is quite large and covers the entire molecule for most molecular structures of combustion interest. Secondly, the ionization does not change vibrational quantum numbers, so that even complicated and large molecules can be observed with fairly well resolved spectra. In fact, the spectroscopy is blind to vibrational excitation of the molecule. This has the interesting consequence for the study of chemical dynamics, where the molecules are invariably very energetic, that the molecular structures are observed unobstructed by the vibrational congestion that dominates other spectroscopies. This implies also that, as a tool to probe the time-dependent structural dynamics of chemically interesting molecules, Rydberg spectroscopy may well be better suited than electron or x-ray diffraction. With recent progress in calculating Rydberg binding energy spectra, we are approaching the point where the method can be evolved into a structure determination method. To implement the Rydberg ionization spectroscopy we use a molecular beam based, time-resolved pump-probe multi-photon ionization/photoelectron scheme in which a first laser pulse excites the molecule to a Rydberg state, and a probe pulse ionizes the molecule. A time-of-flight detector measures the kinetic energy spectrum of the photoelectrons. The photoelectron spectrum directly provides the binding energy of the electron, and thereby reveals the molecule’s time-dependent structural fingerprint. Only the duration of the laser pulses limits the time resolution. With a new laser system, we have now reached time resolutions better than 100 fs, although very deep UV wavelengths (down to 190 nm) have slightly longer instrument functions. The structural dynamics of molecules in Rydberg-excited states is obtained by delaying the probe ionization photon from the pump photon; the structural dynamics of molecules in their ground state or e

  19. On the estimation of galaxy structural parameters: the Sersic Model

    E-Print Network [OSTI]

    Ignacio Trujillo; Alister W. Graham; Nicola Caon

    2001-02-22T23:59:59.000Z

    This paper addresses some questions which have arisen from the use of the S\\'ersic r^{1/n} law in modelling the luminosity profiles of early type galaxies. The first issue deals with the trend between the half-light radius and the structural parameter n. We show that the correlation between these two parameters is not only real, but is a natural consequence from the previous relations found to exist between the model-independent parameters: total luminosity, effective radius and effective surface brightness. We also define a new galaxy concentration index which is largely independent of the image exposure depth, and monotonically related with n. The second question concerns the curious coincidence between the form of the Fundamental Plane and the coupling between _e and r_e when modelling a light profile. We explain, through a mathematical analysis of the S\\'ersic law, why the quantity r_e_e^{0.7} appears almost constant for an individual galaxy, regardless of the value of n (over a large range) adopted in the fit to the light profile. Consequently, Fundamental Planes of the form r_e_e^{0.7} propto sigma_0^x (for any x, and where sigma_0 is the central galaxy velocity dispersion) are insensitive to galaxy structure. Finally, we address the problematic issue of the use of model-dependent galaxy light profile parameters versus model-independent quantities for the half-light radii, mean surface brightness and total galaxy magnitude. The former implicitly assume that the light profile model can be extrapolated to infinity, while the latter quantities, in general, are derived from a signal-to-noise truncated profile. We quantify (mathematically) how these parameters change as one reduces the outer radius of an r^{1/n} profile, and reveal how these can vary substantially when n>4.

  20. Copper(II) complexes with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid: Syntheses, crystal structures and antifungal activities

    SciTech Connect (OSTI)

    Xiong, Pingping [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi'an 710069 (China); Li, Jie [Key Laboratory of Resource Biology and Biotechnology in Western China (Ministry of Education), Shaanxi Provincial Key Laboratory of Biotechnology, Xi'an 710069 (China); Bu, Huaiyu, E-mail: 7213792@qq.com [Key Laboratory of Resource Biology and Biotechnology in Western China (Ministry of Education), Shaanxi Provincial Key Laboratory of Biotechnology, Xi'an 710069 (China); Wei, Qing [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi'an 710069 (China); Zhang, Ruolin [Key Laboratory of Resource Biology and Biotechnology in Western China (Ministry of Education), Shaanxi Provincial Key Laboratory of Biotechnology, Xi'an 710069 (China); Chen, Sanping, E-mail: sanpingchen@126.com [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi'an 710069 (China)

    2014-07-01T23:59:59.000Z

    Reaction of Cu(II) with an asymmetric semi-rigid organic ligand 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid (HL), yielded five compounds, [Cu{sub 0.5}L]{sub n} (1), [Cu(HL){sub 2}Cl{sub 2}]{sub n} (2), [Cu(HL){sub 2}Cl{sub 2}(H{sub 2}O)] (3), [Cu(L){sub 2}(H{sub 2}O)]{sub n} (4) and [Cu(L)(phen)(HCO{sub 2})]{sub n} (5), which have been fully characterized by infrared spectroscopy, elemental analysis, and single-crystal X-ray diffraction. As for compounds 1, 2 and 5, Cu(II) is bridged through HL, Cl{sup -}, and formic acid, respectively, featuring 1D chain-structure. In compound 3, Cu(II) with hexahedral coordination sphere is assembled through hydrogen-bonding into 3D supramolecular framework. In compound 4, 1D chain units –Cu–O–Cu–O– are ligand-bridged into a 3D network. All compounds were tested on fungi (Fusarium graminearum, Altemaria solani, Macrophoma kawatsukai, Alternaria alternata and Colletotrichum gloeosporioides). Compound 1 exhibits a better antifungal effect compared to other compounds. An effect of structure on the antifungal activity has also been correlated. - Graphical abstract: Copper(II) compounds with 4-(1H-1, 2, 4-trizol-1-ylmethyl) benzoic acid, were prepared, structurally characterized and investigated for antifungal activity. - Highlights: • The title compounds formed by thermodynamics and thermokinetics. • The five compounds show higher inhibition percentage than reactants. • The structure effect on the antifungal activity.

  1. Impact of Not Fully Addressing Cross-Classified Multilevel Structure in Testing Measurement Invariance and Conducting Multilevel Mixture Modeling within Structural Equation Modeling Framework

    E-Print Network [OSTI]

    Im, Myung

    2014-07-25T23:59:59.000Z

    data as hierarchical structure data in two different analytical settings under the structural equation modeling (SEM) framework. Study 1 evaluated the performance of conventional multilevel confirmatory factor analysis (MCFA) which assumes hierarchical...

  2. 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 ...

  3. Two-Factor Model of Soil Suction from Capillarity, Shrinkage, Adsorbed Film, and Intra-aggregate Structure

    E-Print Network [OSTI]

    V. Y. Chertkov

    2014-04-21T23:59:59.000Z

    The objective of this work is to derive the soil water retention from the soil structure without curve-fitting and only using the physical parameters found irrespective of an experimental retention curve. Two key points underlie the work: (i) the soil suction at drying coincides with that of the soil intra-aggregate matrix and contributive clay; and (ii) both the soil suction and volume shrinkage at drying depend on the same soil water content. In addition the two following results are used: (i) the available two-factor (capillarity and shrinkage) model of clay suction enables one to connect a clay suction and clay water content using the clay matrix structure; and (ii) the recent reference shrinkage curve model based on the concepts of intra-aggregate soil structure permits one to connect the soil water content at shrinkage with the water content of the contributive clay. With that the available two-factor model was essentially modified and, in particular, the effect of adsorbed water film was taken into account. The developed model includes the following input parameters: the solid density, relative volume of contributive-clay solids, relative volume of contributive clay in the oven-dried state, soil clay content, aggregate/intra-aggregate mass ratio, and specific volume of lacunar pores in the aggregates at maximum swelling. The validation of the model is based on available data of water retention and the above input parameters for six soils. A promising agreement between the predicted and observed water retention curves was found.

  4. A 'BOOSTED FIREBALL' MODEL FOR STRUCTURED RELATIVISTIC JETS

    SciTech Connect (OSTI)

    Duffell, Paul C.; MacFadyen, Andrew I., E-mail: pcd233@nyu.edu, E-mail: macfadyen@nyu.edu [Center for Cosmology and Particle Physics, New York University, NY (United States)

    2013-10-10T23:59:59.000Z

    We present a model for relativistic jets which generates a particular angular distribution of Lorentz factor and energy per solid angle. We consider a fireball with specific internal energy E/M launched with bulk Lorentz factor ? {sub B}. In its center-of-momentum frame the fireball expands isotropically, converting its internal energy into radially expanding flow with asymptotic Lorentz factor ?{sub 0} ? E/M. In the lab frame the flow is beamed, expanding with Lorentz factor ? = 2?{sub 0}? {sub B} in the direction of its initial bulk motion and with characteristic opening angle ?{sub 0} ? 1/? {sub B}. The flow is jet-like with ??{sub 0} ? 2?{sub 0} such that jets with ? > 1/?{sub 0} are naturally produced. The choice ?{sub 0} ? ? {sub B} ? 10 yields a jet with ? ? 200 on-axis and angular structure characterized by opening angle ?{sub 0} ? 0.1 of relevance for cosmological gamma-ray bursts (GRBs), while ? {sub B} ?> 1 may be relevant for low-luminosity GRBs. The model produces a family of outflows, of relevance for different relativistic phenomena with structures completely determined by ?{sub 0} and ? {sub B}. We calculate the energy per unit solid angle for the model and use it to compute light curves for comparison with the widely used top-hat model. The jet break in the boosted fireball light curve is greatly subdued when compared to the top-hat model because the edge of the jet is smoother than for a top-hat. This may explain missing jet breaks in afterglow light curves.

  5. Forest and Agricultural Sector Optimization Model (FASOM): Model structure and policy applications. Forest Service research paper

    SciTech Connect (OSTI)

    Adams, D.M.; Alig, R.J.; Callaway, J.M.; McCarl, B.A.; Winnett, S.M.

    1996-09-01T23:59:59.000Z

    The Forest and Agricultural Sector Opimization Model (FASOM) is a dynamic, nonlinear programming model of the forest and agricultural sectors in the United States. The FASOM model initially was developed to evaluate welfare and market impacts of alternative policies for sequestering carbon in trees but also has been applied to a wider range of forest and agricultural sector policy scenarios. The authors describe the model structure and give selected examples of policy applications. A summary of the data sources, input data file format, and the methods used to develop the input data files also are provided.

  6. Weak solutions for a fluid-elastic structure interaction model

    E-Print Network [OSTI]

    Esteban, Maria J.

    on @(S(0),4) where nL denotes the outward normal to @ S(0), {,_i}i2INis an orthonormal basis of L2( S(0)) and {~i}i2INis a non negative non decreasing sequence of eigenvalues. The regularity

  7. A detail study of defect models for cosmic structure formation

    E-Print Network [OSTI]

    A. Albrecht; R. A. Battye; J. Robinson

    1997-11-27T23:59:59.000Z

    We calculate predictions from wide class of `active' models of cosmic structure formation which allows us to scan the space of possible defect models. We calculate the linear cold dark matter power spectrum and Cosmic Microwave Background (CMB) anisotropies over all observable scales using a full linear Einstein-Boltzmann code. Our main result, which has already been reported, points to a serious problem reconciling the observed amplitude of the large-scale galaxy distribution with the COBE normalization. Here, we describe our methods and results in detail. The problem is present for a wide range of defect parameters, which can be used to represent potential differences among defect models, as well as possible systematic numerical errors. We explicitly examine the impact of varying the defect model parameters and we show how the results substantiate these conclusions. The standard scaling defect models are in serious conflict with the current data, and we show how attempts to resolve the problem by considering non-scaling defects or modified stress-energy components would require radical departures from what has become the standard picture.

  8. FLUID FLOW MODELING OF RESIN TRANSFER MOLDING FOR COMPOSITE MATERIAL WIND TURBINE BLADE STRUCTURES

    E-Print Network [OSTI]

    FLUID FLOW MODELING OF RESIN TRANSFER MOLDING FOR COMPOSITE MATERIAL WIND TURBINE BLADE STRUCTURES.............................................................................................................7 Composite Materials...................................................................................................7 Material Properties

  9. Modeling level structures of odd-odd deformed nuclei

    SciTech Connect (OSTI)

    Hoff, R.W.; Kern, J.; Piepenbring, R.; Boisson, J.P.

    1984-09-07T23:59:59.000Z

    A technique for modeling quasiparticle excitation energies and rotational parameters in odd-odd deformed nuclei has been 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 were derived from empirical data on single-particle excitations in neighboring odd-mass nuclei. Calculated configuration-specific values for the Gallagher-Moszkowski splittings were 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. Corresponding average deviations for five rare-earth nuclei are 47 keV and 7%. Several applications of this modeling technique are discussed. 18 refs., 5 figs., 4 tabs.

  10. A Stochastic Age-Structured Population Model of Striped Bass (Morone saxatilis) in the Potomac River'

    E-Print Network [OSTI]

    Cohen, Joel E.

    -structured population model of striped bass (Morone saatilis) in the Potomac River. Can. J. Fish. Aquat. Sci. 40A Stochastic Age-Structured Population Model of Striped Bass (Morone saxatilis) in the Potomac. CHRISTENSEN.AND C. P. GOODYEAR.1983. A stochastic age-structured population model of striped bass (Morone sn

  11. 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.

  12. Constraining the reservoir model of an injected CO2 plume with crosswell CASSM at the Frio-II brine plot

    SciTech Connect (OSTI)

    Daley, T.M.; Ajo-Franklin, J.; Doughty, C.A.

    2011-02-15T23:59:59.000Z

    Crosswell CASSM (continuous active-source seismic monitoring) data was acquired as part of the Frio-II brine pilot CO{sub 2} injection experiment. To gain insight into the CO{sub 2} plume evolution, we have integrated the 3D multiphase flow modeling code TOUGH2 with seismic simulation codes via a petrophysical model that predicts seismic velocity for a given CO{sub 2} saturation. Results of forward seismic modeling based on the CO{sub 2} saturation distribution produced by an initial TOUGH2 model compare poorly with the CASSM data, indicating that the initial flow model did not capture the actual CO{sub 2} plume dynamics. Updates to the TOUGH2 model required to better match the CASSM field data indicate vertical flow near the injection well, with increased horizontal plume growth occurring at the top of the reservoir sand. The CASSM continuous delay time data are ideal for constraining the modeled spatiotemporal evolution of the CO{sub 2} plume and allow improvement in reservoir model and estimation of CO{sub 2} plume properties.

  13. Comparing Model-based and Design-based Structural Equation Modeling Approaches in Analyzing Complex Survey Data 

    E-Print Network [OSTI]

    Wu, Jiun-Yu

    2011-10-21T23:59:59.000Z

    Conventional statistical methods assuming data sampled under simple random sampling are inadequate for use on complex survey data with a multilevel structure and non-independent observations. In structural equation modeling ...

  14. 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

  15. PSMG–A Parallel Structured Model Generator for Mathematical ...

    E-Print Network [OSTI]

    2014-10-09T23:59:59.000Z

    elling and generating large scale nested structured problems, including .... statements to describe repeated common structures that build up the full problem.

  16. Why Basin And Range Systems Are Hard To Find Ii- Structural Model...

    Open Energy Info (EERE)

    geothermal reservoir definition and development. Authors David D. Blackwell, Richard P. Smith, Al Waibel, Maria C. Richards and Patrick Stepp Published GRC, 2009 DOI Not Provided...

  17. Why Basin and Range Systems are Hard to Find II- Structural Model...

    Open Energy Info (EERE)

    geothermal reservoir definition and development. Authors David D. Blackwell, Richard P. Smith, Al Waibel, Maria C. Richards and Patrick Stepp Conference GRC Annual Meeting; Reno,...

  18. Why Basin and Range Systems are Hard to Find II- Structural Model of the

    Open Energy Info (EERE)

    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: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov YouKizildere IRaghuraji Agro IndustriesTown ofNationwideWTEDBird, Idaho: EnergyWhitman County,Whittingham, New

  19. Why Basin And Range Systems Are Hard To Find Ii- Structural Model Of The

    Open Energy Info (EERE)

    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: Alternative Fuels Data Center Home Page onYou are now leaving Energy.gov You are now leaving Energy.gov You are beingZealand Jump to:Ezfeedflag JumpID-fTri GlobalJump to:Westwood Renewables Jump to:meaningWillowTailIIProducing

  20. Exciton Bose condensation : the ground state of an electron-hole gas II. Spin states, screening and band structure effects

    E-Print Network [OSTI]

    Boyer, Edmond

    1083 Exciton Bose condensation : the ground state of an electron-hole gas II. Spin states, incorporant la condensation de Bose des paires électron-trou. Nous étudions en détail la limite diluée, et incorporates Bose condensation of bound electron-hole pairs. We discuss in detail the low density limit

  1. Computer-Aided Civil and Infrastructure Engineering 21 (2006) 242257 Structural Model Updating and Health Monitoring

    E-Print Network [OSTI]

    Heaton, Thomas H.

    2006-01-01T23:59:59.000Z

    practical for health monitoring of real structures. The approach also inherits the advantages of Bayesian in structural health monitoring (Natke and Yao, 1988; Hjelmstad and Shin, 1997; Lam et al., 1998; Beck et al of structural health monitoring, linear struc- tural models are often used for model updating (Vanik et al

  2. Fluid transport in branched structures with temporary closures: A model for quasistatic lung inflation

    E-Print Network [OSTI]

    Alencar, Adriano Mesquita

    Fluid transport in branched structures with temporary closures: A model for quasistatic lung a model system relevant to the inflation of a mammalian lung, an asymmetric bifurcating structure description of the underlying branching structure of the lung, by analyzing experimental pressure-volume data

  3. 1 Intevep/2002/papers/FoamyOil-Pt2/nucleation_5-03.doc Modeling Foamy Oil Flow in Porous Media II

    E-Print Network [OSTI]

    Joseph, Daniel D.

    the assumption that the bubbles move with the oil. The main novel features of theory are an equilibrium equation1 · Intevep/2002/papers/FoamyOil-Pt2/nucleation_5-03.doc Modeling Foamy Oil Flow in Porous Media II presented a model of the flow of foamy oil in porous media in situations in which the bubbles do

  4. Crystal structures of bis(cyanido)bis(N,N Prime -diethylthiourea-{kappa}S) mercury(II) and bis(cyanido)bis(N,N Prime -dipropylthiourea-{kappa}S) mercury(II)

    SciTech Connect (OSTI)

    Ahmad, Saeed, E-mail: saeed_a786@hotmail.com; Sadaf, Haseeba [University of Engineering and Technology, Department of Chemistry (Pakistan)] [University of Engineering and Technology, Department of Chemistry (Pakistan); Altaf, Muhammad; Stoeckli-Evans, Helen [University of Neuchatel, Institute of Physics (Switzerland)] [University of Neuchatel, Institute of Physics (Switzerland); Seerat-ur-Rehman [University of Engineering and Technology, Department of Chemistry (Pakistan)] [University of Engineering and Technology, Department of Chemistry (Pakistan); Bashir, Sarfaraz Ahmed [Government College Asghar Mall, Department of Chemistry (Pakistan)] [Government College Asghar Mall, Department of Chemistry (Pakistan)

    2013-09-15T23:59:59.000Z

    Two mercury(II) complexes containing cyanide and, N,N Prime -diethylthiourea (detu) and N,N Prime -dipropylthiourea (dprtu) ligands, [(detu){sub 2}Hg(CN){sub 2}] (1) and [(dprtu){sub 2}Hg(CN){sub 2}] (2), respectively, have been prepared and characterized by X-ray crystallography. In the both complexes Hg atom lies on a 2-fold rotation axis, and is coordinated to the sulfur atoms of two thiourea ligands and to two cyanide carbon atoms. Both have a distorted tetrahedral environment with bond angles about the Hg atoms in the range of 93.41(4) Degree-Sign -146.75(19) Degree-Sign . In the crystal structures symmetry related molecules are linked via N-H-N hydrogen bonds resulting in the formation of a two-dimensional network in 1, while in 2 a double stranded one-dimensional chain is formed.

  5. A Model for Structure and Thermodynamics of ssDNA and dsDNA Near...

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

    Structure and Thermodynamics of ssDNA and dsDNA Near a Surface:A Coarse Grained Approach. A Model for Structure and Thermodynamics of ssDNA and dsDNA Near a Surface:A Coarse...

  6. Performance Assessment of Different Control Structures for Generic Reactive Distillation Using Linear and Nonlinear Process Models

    E-Print Network [OSTI]

    Al-Arfaj, Muhammad A.

    compares the closed-loop performance of three control structures using an approximate linear model. Responses based on the linear model for various control structures show a good agreement when compared of the linear model is shown to be better in a single-end control system than in a dual-end control system

  7. Pictures: A simple structured graphics model Sigbjorn Finne and Simon Peyton Jones,

    E-Print Network [OSTI]

    Jones, Simon Peyton

    Pictures: A simple structured graphics model Sigbjorn Finne and Simon Peyton Jones, Department­independent model for de­ scribing two­dimensional graphics using a functional language. Graphical scenes the geometric composition of arbitrary pictures. The structured graphics model presented has been implemented

  8. SEMANTIC STRUCTURED LANGUAGE MODELS Hakan Erdogan, Ruhi Sarikaya, Yuqing Gao and Michael Picheny

    E-Print Network [OSTI]

    Erdogan, Hakan

    SEMANTIC STRUCTURED LANGUAGE MODELS Hakan Erdogan, Ruhi Sarikaya, Yuqing Gao and Michael Picheny,sarikaya,yuqing,picheny}@us.ibm.com ABSTRACT In this study, we propose two novel semantic language model- ing techniques for spoken dialog systems. These methods are called semantic concept based language modeling and seman- tic structured

  9. CONTROL-ORIENTED MODELING OF A SOLID-OXIDE FUEL CELL STACK USING AN LPV MODEL STRUCTURE

    E-Print Network [OSTI]

    Sanandaji, Borhan M.

    CONTROL-ORIENTED MODELING OF A SOLID-OXIDE FUEL CELL STACK USING AN LPV MODEL STRUCTURE Borhan M dynamic model of a solid oxide fuel cell stack. Using a detailed physical model as a starting point, we (usually air) on the cathode side. Solid-oxide fuel cells (SOFCs) utilize a ceramic oxygen-ion conducting

  10. Optics elements for modeling electrostatic lenses and accelerator components II. Acceleration columns

    SciTech Connect (OSTI)

    Gillespie, G.H., Brown, T.A.

    1998-05-01T23:59:59.000Z

    A set of optical models for a variety of electrostatic lenses and accelerator columns has been developed for the computer code TRACE 3-D. TRACE 3-D is an envelope (matrix) code including space charge that is often used to model bunched beams in magnetic transport systems and radiofrequency (RF) accelerators when the effects of beam current may be important. Several new matrix models have been developed that allow the code to be used for modeling beam lines and accelerators with electrostatic components. The new models include a number of options for: (1) einzel lenses, (2) accelerator columns, (3) electrostatic deflectors (prisms), and (4) an electrostatic quadrupole. A prescription for setting up the initial beam appropriate to modeling 2-D (continuous) beams has also been developed. The new models for (2) are described in this paper, selected comparisons with other calculations are presented, and a beamline application is summarized.

  11. Smog Check II Evaluation Part II: Overview of Vehicle

    E-Print Network [OSTI]

    Denver, University of

    Smog Check II Evaluation Part II: Overview of Vehicle Emissions . . . . . . . . . . . . Prepared in Later Sections ____________________ 1 3. Older Vehicles Have Higher Emissions on Average _____________ 3 4. The Vehicle Fleet Is Dominated by Newer Vehicles______________ 8 5. More Recent Vehicle Models

  12. Modeling Structural Changes in Market Demand and Supply

    E-Print Network [OSTI]

    Park, Beom Su

    2011-10-21T23:59:59.000Z

    Economic events may cause structural changes in markets. To know the effect of the economic event we should analyze the structural changes in the market demand and supply. The purpose of this dissertation is to analyze the effect of selected...

  13. STRUCTURED DISCRIMINATIVE MODELS FOR NOISE ROBUST CONTINUOUS SPEECH RECOGNITION

    E-Print Network [OSTI]

    Gales, Mark

    conditional random fields (SCRF) [1], assume a word-level structure. The use of multiple feature streams

  14. A spatially structured metapopulation model with patch dynamics

    E-Print Network [OSTI]

    2007-08-22T23:59:59.000Z

    Sep 30, 2005 ... creation) and metapopulation dynamics (patch colonization and extinction). ... genetic structure (Gaines and Lyons, 1997), and commu-.

  15. MID-INFRARED EXTINCTION MAPPING OF INFRARED DARK CLOUDS. II. THE STRUCTURE OF MASSIVE STARLESS CORES AND CLUMPS

    SciTech Connect (OSTI)

    Butler, Michael J. [Department of Astronomy, University of Florida, Gainesville, FL 32611 (United States); Tan, Jonathan C. [Departments of Astronomy and Physics, University of Florida, Gainesville, FL 32611 (United States)

    2012-07-20T23:59:59.000Z

    We develop the mid-infrared extinction (MIREX) mapping technique of Butler and Tan (Paper I), presenting a new method to correct for the Galactic foreground emission based on observed saturation in independent cores. Using Spitzer GLIMPSE 8 {mu}m images, this allows us to accurately probe mass surface densities, {Sigma}, up to {approx_equal} 0.5 g cm{sup -2} with 2'' resolution and mitigate one of the main sources of uncertainty associated with Galactic MIREX mapping. We then characterize the structure of 42 massive starless and early-stage cores and their surrounding clumps, selected from 10 infrared dark clouds, measuring {Sigma}{sub cl}(r) from the core/clump centers. We first assess the properties of the core/clump at a scale where the total enclosed mass as projected on the sky is M{sub cl} = 60 M{sub Sun }. We find that these objects have a mean radius of R{sub cl} {approx_equal} 0.1 pc, mean {Sigma}{sub cl} = 0.3 g cm{sup -} and, if fitted by a power-law (PL) density profile {rho}{sub cl}{proportional_to}r{sup -k{sub {rho}}{sub ,}{sub c}{sub l}}, a mean value of k{sub {rho},cl} = 1.1. If we assume a core is embedded in each clump and subtract the surrounding clump envelope to derive the core properties, then we find a mean core density PL index of k{sub {rho},c} = 1.6. We repeat this analysis as a function of radius and derive the best-fitting PL plus uniform clump envelope model for each of the 42 core/clumps. The cores have typical masses of M{sub c} {approx} 100 M{sub Sun} and {Sigma}-bar{sub c} {approx} 0.1 g cm{sup -2}, and are embedded in clumps with comparable mass surface densities. We also consider Bonnor-Ebert density models, but these do not fit the observed {Sigma} profiles as well as PLs. We conclude that massive starless cores exist and are well described by singular polytropic spheres. Their relatively low values of {Sigma} and the fact that they are IR dark may imply that their fragmentation is inhibited by magnetic fields rather than radiative heating. Comparing to massive star-forming cores and clumps, there is tentative evidence for an evolution toward higher densities and steeper density profiles as star formation proceeds.

  16. Microscale and mesoscale discrete models for dynamic fracture of structures built of brittle material

    E-Print Network [OSTI]

    Microscale and mesoscale discrete models for dynamic fracture of structures built of brittle are derived either at microscale with random distribution of material properties or at a mesoscale

  17. Black liquor combustion validated recovery boiler modeling: Final year report. Volume 2 (Appendices I, section 5 and II, section 1)

    SciTech Connect (OSTI)

    Grace, T.M.; Frederick, W.J.; Salcudean, M.; Wessel, R.A.

    1998-08-01T23:59:59.000Z

    This project was initiated in October 1990, with the objective of developing and validating a new computer model of a recovery boiler furnace using a computational fluid dynamics (CFD) code specifically tailored to the requirements for solving recovery boiler flows, and using improved submodels for black liquor combustion based on continued laboratory fundamental studies. The key tasks to be accomplished were as follows: (1) Complete the development of enhanced furnace models that have the capability to accurately predict carryover, emissions behavior, dust concentrations, gas temperatures, and wall heat fluxes. (2) Validate the enhanced furnace models, so that users can have confidence in the predicted results. (3) Obtain fundamental information on aerosol formation, deposition, and hardening so as to develop the knowledge base needed to relate furnace model outputs to plugging and fouling in the convective sections of the boiler. (4) Facilitate the transfer of codes, black liquid submodels, and fundamental knowledge to the US kraft pulp industry. Volume 2 contains the last section of Appendix I, Radiative heat transfer in kraft recovery boilers, and the first section of Appendix II, The effect of temperature and residence time on the distribution of carbon, sulfur, and nitrogen between gaseous and condensed phase products from low temperature pyrolysis of kraft black liquor.

  18. ES2A7 -Fluid Mechanics Example Classes Model Answers to Example Questions (Set II)

    E-Print Network [OSTI]

    Thomas, Peter J.

    of msvp = 2 -1 . Calculate the mean model wind tunnel speed if the model is made to 1/10 scale. Assume in a wind tunnel. The airspeed range to be investigated is at the docking end of its range, a maximum -=-=-= --- Question 4: Sliding Board #12;A board with an area slides down an inclined ramp as is schematically

  19. Improved angular momentum evolution model for solar-like stars II. Exploring the mass dependence

    E-Print Network [OSTI]

    Gallet, Florian

    2015-01-01T23:59:59.000Z

    We developed angular momentum evolution models for 0.5 and 0.8 $M_{\\odot}$ stars. The parametric models include a new wind braking law based on recent numerical simulations of magnetised stellar winds, specific dynamo and mass-loss rate prescriptions, as well as core/envelope decoupling. We compare model predictions to the distributions of rotational periods measured for low mass stars belonging to star forming regions and young open clusters. Furthermore, we explore the mass dependence of model parameters by comparing these new models to the solar-mass models we developed earlier. Rotational evolution models are computed for slow, median, and fast rotators at each stellar mass. The models reproduce reasonably well the rotational behaviour of low-mass stars between 1~Myr and 8-10~Gyr, including pre-main sequence to zero-age main sequence spin up, prompt zero-age main sequence spin down, and early-main sequence convergence of the surface rotation rates. Fast rotators are found to have systematically shorter di...

  20. Nonisothermal Modeling of Polymer Electrolyte Fuel Cells II. Parametric Study of Low-Humidity Operation

    E-Print Network [OSTI]

    combustion engine as the power plant for automotive drivetrains. In this appli- cation, it is very becomes a central task in PEFC computer simulations, which requires an accu- rate and detailed membrane electrode assembly MEA model. Many numerical models have been developed to simulate the effects of various

  1. Inclusive Search for Standard Model Higgs Boson Production in the WW Decay Channel using the CDF II Detector

    E-Print Network [OSTI]

    The CDF Collaboration; T. Aaltonen

    2010-02-17T23:59:59.000Z

    We present a search for standard model (SM) Higgs boson production using ppbar collision data at sqrt(s) = 1.96 TeV, collected with the CDF II detector and corresponding to an integrated luminosity of 4.8 fb-1. We search for Higgs bosons produced in all processes with a significant production rate and decaying to two W bosons. We find no evidence for SM Higgs boson production and place upper limits at the 95% confidence level on the SM production cross section (sigma(H)) for values of the Higgs boson mass (m_H) in the range from 110 to 200 GeV. These limits are the most stringent for m_H > 130 GeV and are 1.29 above the predicted value of sigma(H) for mH = 165 GeV.

  2. Modeling Elasto-Plastic Behavior of Polycrystalline Grain Structure of Steels at Mesoscopic Level

    E-Print Network [OSTI]

    Cizelj, Leon

    Modeling Elasto-Plastic Behavior of Polycrystalline Grain Structure of Steels at Mesoscopic Level. The constitutive model of crystal grains utilizes anisotropic elasticity and crystal plasticity. Commercially be considered macroscopically homogeneous. Elastic and rate independent plastic deformation modes are considered

  3. A Hidden Markov Chain Model for the Term Structure of Bond Credit Risk Spreads 

    E-Print Network [OSTI]

    Thomas, L; Allen, David E; Morkel-Kingsbury, N

    1998-01-01T23:59:59.000Z

    This paper provides a Markov chain model for the term structure and credit risk spreads of bond processes. It allows dependency between the stochastic process modeling the interest rate and the Markov chain process describing ...

  4. On a tensor-based finite element model for the analysis of shell structures 

    E-Print Network [OSTI]

    Arciniega Aleman, Roman Augusto

    2006-04-12T23:59:59.000Z

    In the present study, we propose a computational model for the linear and nonlinear analysis of shell structures. We consider a tensor-based finite element formulation which describes the mathematical shell model in a ...

  5. A comparison of structural and non-structural econometric models in the Toronto office market

    E-Print Network [OSTI]

    Gole, Kimberly

    2014-01-01T23:59:59.000Z

    This thesis aims to compare five systems of econometric equations to describe the Toronto office market. It compares four structural systems differing in their demand equations and a non-structural system that does not ...

  6. Studies of crack dynamics in clay soil II. A physically based model for

    E-Print Network [OSTI]

    Hoffmann, Heiko

    ; accepted 20 July 2004 Available online 23 August 2004 Abstract The temporal dynamics of soil structure are capable of treating water and solute transport within macro- pores and within the surrounding soil matrix, 1976; Gerke and van Genuchten, 1993; Jarvis, 1994). Assessing preferential flow requires information

  7. Detailed modeling of spectroscopic data: Modeling support for ORNL PMI WORK: TEXTORALT-II, TORE SUPRA, ATF

    SciTech Connect (OSTI)

    Hogan, J.; Klepper, C.; Hillis, D.; Uckan, T.

    1988-01-01T23:59:59.000Z

    This paper contains vugraphs on particle source effects on confinement time scaling. Detailed modeling of H/sub ..cap alpha../ intensity spatial distribution is discussed. (LSP)

  8. Model documentation natural gas transmission and distribution model (NGTDM) of the national energy modeling system. Volume II: Model developer`s report

    SciTech Connect (OSTI)

    Not Available

    1995-01-03T23:59:59.000Z

    To partially fulfill the requirements for {open_quotes}Model Acceptance{close_quotes} as stipulated in EIA Standard 91-01-01 (effective February 3, 1991), the Office of Integrated Analysis and Forecasting has conducted tests of the Natural Gas Transmission and Distribution Model (NGTDM) for the specific purpose of validating the forecasting model. This volume of the model documentation presents the results of {open_quotes}one-at-a-time{close_quotes} sensitivity tests conducted in support of this validation effort. The test results are presented in the following forms: (1) Tables of important model outputs for the years 2000 and 2010 are presented with respect to change in each input from the reference case; (2) Tables of percent changes from base case results for the years 2000 and 2010 are presented for important model outputs; (3) Tables of conditional sensitivities (percent change in output/percent change in input) for the years 2000 and 2010 are presented for important model outputs; (4) Finally, graphs presenting the percent change from base case results for each year of the forecast period are presented for selected key outputs. To conduct the sensitivity tests, two main assumptions are made in order to test the performance characteristics of the model itself and facilitate the understanding of the effects of the changes in the key input variables to the model on the selected key output variables: (1) responses to the amount demanded do not occur since there are no feedbacks of inputs from other NEMS models in the stand-alone NGTDM run. (2) All the export and import quantities from and to Canada and Mexico, and liquefied natural gas (LNG) imports and exports are held fixed (i.e., there are no changes in imports and exports between the reference case and the sensitivity cases) throughout the forecast period.

  9. Dynamics of an age-structured metapopulation model

    E-Print Network [OSTI]

    2005-10-28T23:59:59.000Z

    address the temporal dynamics that characterize local popu- lations in ... this metapopulation framework, two structures have emerged as being critical in the ...

  10. Publications by number 1. Synthesis of rhodium (II) pyrazolate complexes. Crystal structure of tetra--3,5-

    E-Print Network [OSTI]

    Alvarez, Pedro J.

    (dimethylphosphino)ethane. X- ray crystal structure of trans-[CrIVCl(NEt)(dmpe)2]CF3SO3, trans- [CrIV(N=CHMe)2(dimpe)2](BPh4

  11. Structural health monitoring with piezoelectric wafer active sensors predictive modeling and simulation

    E-Print Network [OSTI]

    Giurgiutiu, Victor

    Structural health monitoring with piezoelectric wafer active sensors ­ predictive modeling of the state of the art in structural health monitoring with piezoelectric wafer active sensors and follows with conclusions and suggestions for further work Key Words: structural health monitoring, SHM, nondestructive

  12. FINITE ELEMENT MODEL-BASED STRUCTURAL HEALTH MONITORING (SHM) SYSTEMS FOR COMPOSITE MATERIAL UNDER

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    FINITE ELEMENT MODEL-BASED STRUCTURAL HEALTH MONITORING (SHM) SYSTEMS FOR COMPOSITE MATERIAL UNDER). To design a Structural Health Monitoring (SHM) system, it is important to understand phenomenologically Workshop on Structural Health Monitoring July 8-11, 2014. La Cité, Nantes, France Copyright © Inria (2014

  13. MODELLING OF CONCRETE STRUCTURES AFFECTED BY INTERNAL SWELLING REACTIONS: COUPLINGS BETWEEN

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Page 1 MODELLING OF CONCRETE STRUCTURES AFFECTED BY INTERNAL SWELLING REACTIONS: COUPLINGS BETWEEN of the affected concrete that generally leads to cracking and decrease of its mechanical properties of the concrete works and structural integrity. To manage with considered suffering structures, it is necessary

  14. Ultrafast Structural Dynamics Inside Planar Phospholipid Multibilayer Model Cell Membranes Measured with 2D IR

    E-Print Network [OSTI]

    Fayer, Michael D.

    Ultrafast Structural Dynamics Inside Planar Phospholipid Multibilayer Model Cell Membranes Measured diffusion caused by the structural dynamics of the membrane from 200 fs to 200 ps as a function structure and an abrupt change in dynamics at 35% cholesterol. The dynamics are independent of cholesterol

  15. AIP/123-QED Fuzzy structure theory modeling of sound-insulation layers in complex

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    AIP/123-QED Fuzzy structure theory modeling of sound-insulation layers in complex vibroacoustic France (Dated: September 11, 2008) Fuzzy structure theory for sound-insulation layers 1 hal-00684495 is proposed in developing an elas- toacoustic element useful to model sound-insulation layers for compu

  16. Methods Mol Biol . Author manuscript 3D structural models of transmembrane proteins

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    proteins is a major research area. Due to the lack of available 3D structures, automatic homology modelingMethods Mol Biol . Author manuscript Page /1 9 3D structural models of transmembrane proteins: Alexandre De Brevern Abstract Summary Transmembrane proteins

  17. Integer Programming Model for Automated Structure-based NMR Richard Jang , Xin Gao , and Ming Li

    E-Print Network [OSTI]

    Waterloo, University of

    Integer Programming Model for Automated Structure-based NMR Assignment Richard Jang , Xin Gao. The core of the solution is a novel integer linear programming model, which is a general framework for many N2L 6P7 Technical Report CS-2009-32 Abstract. We introduce the "Automated Structure-based Assignment

  18. A structural risk-neutral model for pricing and hedging power derivatives

    E-Print Network [OSTI]

    Nicolas Langrené§ October 12, 2010 Abstract We develop a structural risk-neutral model for energy market makes such a market incomplete. We follow a local risk minimization approach to price and hedge energyA structural risk-neutral model for pricing and hedging power derivatives René Aïd Luciano Campi

  19. Pulsations of rapidly rotating stars: II. Realistic modelling for intermediate-mass stars

    E-Print Network [OSTI]

    Ouazzani, Rhita-Maria; Dupret, Marc-Antoine

    2015-01-01T23:59:59.000Z

    Very high precision seismic space missions such as CoRoT and Kepler provide the means for testing the modelling of transport processes in stellar interiors. For some stars, such as $\\delta$ Scuti $\\gamma$ Doradus and Be stars, for instance, the observed pulsation spectra are modified by rotation to such an extent that it prevents any fruitful interpretation. Our aim is to characterise acoustic pulsation spectra of realistic stellar models in order to be able to interpret asteroseismic data from such stars. The 2-dimensional oscillation code ACOR, which treats rotation in a non-perturbative manner, is used to study pulsation spectra of highly distorted evolved models of stars. 2D models of stars are obtained by a self-consistent method which distorts spherically averaged stellar models a posteriori, at any stage of evolution, and for any type of rotation law. Four types of modes are calculated in a very dense frequency spectrum, among which are island modes. The regularity of the island modes spectrum is confi...

  20. Modeling of the AISI Two-Zone Smelter, Part II: Physical Modeling and the AISI Pilot Plant Trials

    SciTech Connect (OSTI)

    Keller, Joseph George; Zhang, X.; Fuehan, R. J.; Vassilicos, A.; Sarma, B.

    2001-06-01T23:59:59.000Z

    Physical modeling experiments were conducted for the American Iron and Steel Institute (AISI) two-zone smelter process. The effects of geometrical and operating parameters on backmixing flow rates were investigated. It was found that the driving force for a backmixing flow in the AISI smelter comes from gas stirring in a liquid bath. The backmixing flow rate in the AISI smelter is proportional to a bath depth and an opening area of a barrier. Based on the results of the physical modeling experiments, a dimensional analysis was performed to extrapolate the water modeling results to the operating conditions in the AISI pilot plant. Copper tracer trials were conducted at the AISI pilot plant to investigate the backmixing flow of the AISI two-zone smelter process. The results obtained from the pilot plant trials and the water modeling experiments were compared.

  1. Viscous boundary layers of radiation-dominated, relativistic jets. II. The free-streaming jet model

    E-Print Network [OSTI]

    Coughlin, Eric R

    2015-01-01T23:59:59.000Z

    We analyze the interaction of a radiation-dominated jet and its surroundings using the equations of radiation hydrodynamics in the viscous limit. In a previous paper we considered the two-stream scenario, which treats the jet and its surroundings as distinct media interacting through radiation viscous forces. Here we present an alternative boundary layer model, known as the free-streaming jet model -- where a narrow stream of fluid is injected into a static medium -- and present solutions where the flow is ultrarelativistic and the boundary layer is dominated by radiation. It is shown that these jets entrain material from their surroundings and that their cores have a lower density of scatterers and a harder spectrum of photons, leading to observational consequences for lines of sight that look "down the barrel of the jet." These jetted outflow models may be applicable to the jets produced during long gamma-ray bursts and super-Eddington phases of tidal disruption events.

  2. Fluctuating Currents in Stochastic Thermodynamics II. Energy Conversion and Nonequilibrium Response in Kinesin Models

    E-Print Network [OSTI]

    Altaner, Bernhard; Vollmer, Jürgen

    2015-01-01T23:59:59.000Z

    Unlike macroscopic engines, the molecular machinery of living cells is strongly affected by fluctuations. Stochastic Thermodynamics uses Markovian jump processes to model the random transitions between the chemical and configurational states of these biological macromolecules. A recently developed theoretical framework [Wachtel, Vollmer, Altaner: "Fluctuating Currents in Stochastic Thermodynamics I. Gauge Invariance of Asymptotic Statistics"] provides a simple algorithm for the determination of macroscopic currents and correlation integrals of arbitrary fluctuating currents. Here, we use it to discuss energy conversion and nonequilibrium response in different models for the molecular motor kinesin. Methodologically, our results demonstrate the effectiveness of the algorithm in dealing with parameter-dependent stochastic models. For the concrete biophysical problem our results reveal two interesting features in experimentally accessible parameter regions: The validity of a non-equilibrium Green--Kubo relation ...

  3. Inter-cage dynamics in structure I, II, and H fluoromethane hydrates as studied by NMR and molecular dynamics simulations

    SciTech Connect (OSTI)

    Trueba, Alondra Torres [Steacie Institute for Molecular Sciences, National Research Council Canada, Ottawa, Ontario, K1A 0R6 (Canada); Eindhoven University of Technology, Department of Chemical Engineering and Chemistry, Separation Technology Group, Den Dolech 2, 5612 AZ Eindhoven (Netherlands); Kroon, Maaike C. [Eindhoven University of Technology, Department of Chemical Engineering and Chemistry, Separation Technology Group, Den Dolech 2, 5612 AZ Eindhoven (Netherlands); Peters, Cor J. [Eindhoven University of Technology, Department of Chemical Engineering and Chemistry, Separation Technology Group, Den Dolech 2, 5612 AZ Eindhoven (Netherlands); The Petroleum Institute, Chemical Engineering Department, P. O. Box 2533, Abu Dhabi (United Arab Emirates); Moudrakovski, Igor L.; Ratcliffe, Christopher I.; Ripmeester, John A., E-mail: John.Ripmeester@nrc-cnrc.gc.ca [Steacie Institute for Molecular Sciences, National Research Council Canada, Ottawa, Ontario, K1A 0R6 (Canada); Alavi, Saman [Steacie Institute for Molecular Sciences, National Research Council Canada, Ottawa, Ontario, K1A 0R6 (Canada); Department of Chemistry, University of Ottawa, Ottawa, Ontario K1N 6N5 (Canada)

    2014-06-07T23:59:59.000Z

    Prospective industrial applications of clathrate hydrates as materials for gas separation require further knowledge of cavity distortion, cavity selectivity, and defects induction by guest-host interactions. The results presented in this contribution show that under certain temperature conditions the guest combination of CH{sub 3}F and a large polar molecule induces defects on the clathrate hydrate framework that allow intercage guest dynamics. {sup 13}C NMR chemical shifts of a CH{sub 3}F/CH{sub 4}/TBME sH hydrate and a temperature analysis of the {sup 2}H NMR powder lineshapes of a CD{sub 3}F/THF sII and CD{sub 3}F/TBME sH hydrate, displayed evidence that the populations of CH{sub 4} and CH{sub 3}F in the D and D{sup ?} cages were in a state of rapid exchange. A hydrogen bonding analysis using molecular dynamics simulations on the TBME/CH{sub 3}F and TBME/CH{sub 4} sH hydrates showed that the presence of CH{sub 3}F enhances the hydrogen bonding probability of the TBME molecule with the water molecules of the cavity. Similar results were obtained for THF/CH{sub 3}F and THF/CH{sub 4} sII hydrates. The enhanced hydrogen bond formation leads to the formation of defects in the water hydrogen bonding lattice and this can enhance the migration of CH{sub 3}F molecules between adjacent small cages.

  4. Transport Phenomena in Polymer Electrolyte Membranes II. Binary Friction Membrane Model

    E-Print Network [OSTI]

    Struchtrup, Henning

    is derived to represent conditions found in alternating current ac impedance conductivity measurements the conditions of ac impedance conductivity measurements. Using em- pirically fitted transport parameters dynamic models required for fundamental simulation of in situ processes that are difficult to ob- serve

  5. Y. Tang W.W. Hsieh Hybrid coupled models of the tropical Pacific: II ENSO prediction

    E-Print Network [OSTI]

    Hsieh, William

    skills shifted eastward in the 1990s. A nonlinear canonical correlation analysis of the zonal wind stress have to be parameterized; (3) proper initialization of the coupled model is difficult; and (4) the cost understanding of the coupled mechanisms and lower computing cost than a full CGCM (Blanke et al. 1997), and (3

  6. A moving boundary model motivated by electric breakdown: II. Initial value problem

    E-Print Network [OSTI]

    Kao, Chiu-Yen

    undercooling [6, 7, 8], and void migration in a conductor [9, 10, 11]. More recently, it has been shown. In a limiting case, most of these models reduce to the classic Saffman-Taylor problem [1], which is known tension regular- ization, though only recently some mathematically rigorous results [23, 24] are available

  7. Proc. SPIE 8396, Geospatial InfoFusion II, 83960N (May 1, 2012); doi:10.1117/12.920878 Modeling spatial uncertainties in geospatial data fusion and mining

    E-Print Network [OSTI]

    Kovalerchuk, Boris

    ., Seattle, WA, 98178 ABSTRACT Geospatial data analysis relies on Spatial Data Fusion and Mining (SDFMProc. SPIE 8396, Geospatial InfoFusion II, 83960N (May 1, 2012); doi:10.1117/12.920878 Modeling spatial uncertainties in geospatial data fusion and mining Boris Kovalerchuka* , Leonid Perlovskyb

  8. Aerosol cluster impact and break-up : II. Atomic and Cluster Scale Models.

    SciTech Connect (OSTI)

    Lechman, Jeremy B.; Takato, Yoichi (State University of New York at Buffalo, Buffalo, NY)

    2010-09-01T23:59:59.000Z

    Understanding the interaction of aerosol particle clusters/flocs with surfaces is an area of interest for a number of processes in chemical, pharmaceutical, and powder manufacturing as well as in steam-tube rupture in nuclear power plants. Developing predictive capabilities for these applications involves coupled phenomena on multiple length and timescales from the process macroscopic scale ({approx}1m) to the multi-cluster interaction scale (1mm-0.1m) to the single cluster scale ({approx}1000 - 10000 particles) to the particle scale (10nm-10{micro}m) interactions, and on down to the sub-particle, atomic scale interactions. The focus of this report is on the single cluster scale; although work directed toward developing better models of particle-particle interactions by considering sub-particle scale interactions and phenomena is also described. In particular, results of mesoscale (i.e., particle to single cluster scale) discrete element method (DEM) simulations for aerosol cluster impact with rigid walls are presented. The particle-particle interaction model is based on JKR adhesion theory and is implemented as an enhancement to the granular package in the LAMMPS code. The theory behind the model is outlined and preliminary results are shown. Additionally, as mentioned, results from atomistic classical molecular dynamics simulations are also described as a means of developing higher fidelity models of particle-particle interactions. Ultimately, the results from these and other studies at various scales must be collated to provide systems level models with accurate 'sub-grid' information for design, analysis and control of the underlying systems processes.

  9. Modeling the structure of coal water slurry (CWS) sprays

    E-Print Network [OSTI]

    Prithiviraj, Manikandan

    1993-01-01T23:59:59.000Z

    This thesis describes a model of coal water slurry (CWS) sprays and presents new experimental data for CWS viscosities. The model is based on the aerodynamic theory of spray atomization which has been successfully used for Diesel sprays. However...

  10. Investigation of Vortex Structures in Gas-Discharge Nonneutral Electron Plasma: II. Vortex Formation, Evolution and Dynamics

    E-Print Network [OSTI]

    Kervalishvili, N A

    2015-01-01T23:59:59.000Z

    The results of experimental investigations of inhomogeneities of gas-discharge nonneutral electron plasma obtained by using the nonperturbing experimental methods [N.A. Kervalishvili, arXiv:1502.02516 [physics.plasm-ph] (2015)] have been presented. Inhomogeneities are the dense solitary vortex structures stretched along the magnetic field, the lifetime of which is much greater than the time of electron-neutral collisions. The processes of formation, evolution and dynamics of vortex structures were studied. The periodic sequence of these processes is described for different geometries of discharge device.

  11. A series of Cd(II) complexes with {pi}-{pi} stacking and hydrogen bonding interactions: Structural diversities by varying the ligands

    SciTech Connect (OSTI)

    Wang Xiuli, E-mail: wangxiuli@bhu.edu.c [Faculty of Chemistry and Chemical Engineering, Bohai University, Jinzhou 121000 (China); Zhang Jinxia; Liu Guocheng; Lin Hongyan [Faculty of Chemistry and Chemical Engineering, Bohai University, Jinzhou 121000 (China)

    2011-02-15T23:59:59.000Z

    Seven new Cd(II) complexes consisting of different phenanthroline derivatives and organic acid ligands, formulated as [Cd(PIP){sub 2}(dnba){sub 2}] (1), [Cd(PIP)(ox)].H{sub 2}O (2), [Cd(PIP)(1,4-bdc)(H{sub 2}O)].4H{sub 2}O (3), [Cd(3-PIP){sub 2}(H{sub 2}O){sub 2}].4H{sub 2}O (4), [Cd{sub 2}(3-PIP){sub 4}(4,4'-bpdc)(H{sub 2}O){sub 2}].5H{sub 2}O (5), [Cd(3-PIP)(nip)(H{sub 2}O)].H{sub 2}O (6), [Cd{sub 2}(TIP){sub 4}(4,4'-bpdc)(H{sub 2}O){sub 2}].3H{sub 2}O (7) (PIP=2-phenylimidazo[4,5-f]1,10-phenanthroline, 3-PIP=2-(3-pyridyl)imidazo[4,5-f]1,10-phenanthroline, TIP=2-(2-thienyl)imidazo[4,5-f]1,10-phenanthroline, Hdnba=3,5-dinitrobenzoic acid, H{sub 2}ox=oxalic acid, 1,4-H{sub 2}bdc=benzene-1,4-dicarboxylic acid, 4,4'-H{sub 2}bpdc=biphenyl-4,4'-dicarboxylic acid, H{sub 2}nip=5-nitroisophthalic acid) have been synthesized under hydrothermal conditions. Complexes 1 and 4 possess mononuclear structures; complexes 5 and 7 are isostructural and have dinuclear structures; complexes 2 and 3 feature 1D chain structures; complex 6 contains 1D double chain, which are further extended to a 3D supramolecular structure by {pi}-{pi} stacking and hydrogen bonding interactions. The N-donor ligands with extended {pi}-system and organic acid ligands play a crucial role in the formation of the final supramolecular frameworks. Moreover, thermal properties and fluorescence of 1-7 are also investigated. -- Graphical abstract: Seven new supramolecular architectures have been successfully isolated under hydrothermal conditions by reactions of different phen derivatives and Cd(II) salts together with organic carboxylate anions auxiliary ligands. Display Omitted Research highlights: {yields} Complexes 1-7 are 0D or 1D polymeric structure, the {pi}-{pi} stacking and H-bonding interactions extend the complexes into 3D supramolecular network. To our knowledge, systematic study on {pi}-{pi} stacking and H-bonding interactions in cadmium(II) complexes are still limited. {yields} The structural differences among the title complexes indicate the importance of N-donor chelating ligands for the creation of molecular architectures. {yields} The thermal and fluorescence properties of title complexes have also been reported.

  12. Novel Geometrical Models of Relativistic Stars. II. Incompressible Stars and Heavy Black Dwarfs

    E-Print Network [OSTI]

    P. P. Fiziev

    2004-09-20T23:59:59.000Z

    In a series of articles we describe a novel class of geometrical models of relativistic stars. Our approach to the static spherically symmetric solutions of Einstein equations is based on a careful physical analysis of radial gauge conditions. It turns out that there exist heavy black dwarfs: relativistic stars with arbitrary large mass, which are to have arbitrary small radius and arbitrary small luminosity. In the present article we mathematically prove this new phenomena, using a detailed consideration of incompressible GR stars. We study the whole two parameter family of solutions of extended TOV equations for incompressible stars. This example is used to illustrate most of the basic features of the new geometrical models of relativistic stars. Comparison with newest observational data is discussed

  13. ISO-SWS calibration and the accurate modelling of cool-star atmospheres - II. General results

    E-Print Network [OSTI]

    L. Decin; B. Vandenbussche; C. Waelkens; K. Eriksson; B. Gustafsson; B. Plez; A. J. Sauval; K. Hinkle

    2002-07-29T23:59:59.000Z

    The fine calibration of the ISO-SWS detectors (Infrared Space Observatory - Short Wavelength Spectrometer) has proven to be a delicate problem. We therefore present a detailed spectroscopic study in the 2.38 -- 12 micron wavelength range of a sample of 16 A0 -- M2 stars used for the calibration of ISO-SWS. By investigating the discrepancies between the ISO-SWS data of these sources, the theoretical predictions of their spectra, the high-resolution FTS-KP (Kitt Peak) spectrum of Alpha Boo and the solar FTS-ATMOS (Atmospheric Trace Molecule Spectroscopy) spectrum, both calibration problems and problems in computing the theoretical models and the synthetic spectra are revealed. The underlying reasons for these problems are sought for and the impact on the further calibration of ISO-SWS and on the theoretical modelling is discussed extensively.

  14. A Compromise between Neutrino Masses and Collider Signatures in the Type-II Seesaw Model

    E-Print Network [OSTI]

    Wei Chao; Shu Luo; Zhi-zhong Xing; Shun Zhou

    2007-09-07T23:59:59.000Z

    A natural extension of the standard $SU(2)_{\\rm L} \\times U(1)_{\\rm Y}$ gauge model to accommodate massive neutrinos is to introduce one Higgs triplet and three right-handed Majorana neutrinos, leading to a $6\\times 6$ neutrino mass matrix which contains three $3\\times 3$ sub-matrices $M_{\\rm L}$, $M_{\\rm D}$ and $M_{\\rm R}$. We show that three light Majorana neutrinos (i.e., the mass eigenstates of $\

  15. Cloning Hubble Deep Fields II: Models for Evolution by Bright Galaxy Image Transformation

    E-Print Network [OSTI]

    Rychard J. Bouwens; Tom Broadhurst; Joseph Silk

    1998-10-29T23:59:59.000Z

    In a companion paper we outlined a methodology for generating parameter-free, model-independent ``no-evolution'' fields of faint galaxy images, demonstrating the need for significant evolution in the HDF at faint magnitudes. Here we incorporate evolution into our procedure, by transforming the input bright galaxy images with redshift, for comparison with the HDF at faint magnitudes. Pure luminosity evolution is explored assuming that galaxy surface brightness evolves uniformly, at a rate chosen to reproduce the I-band counts. This form of evolution exacerbates the size discrepancy identified by our no-evolution simulations, by increasing the area of a galaxy visible to a fixed isophote. Reasonable dwarf-augmented models are unable to generate the count excess invoking moderate rates of stellar evolution. A plausible fit to the counts and sizes is provided by `mass-conserving' density-evolution, consistent with small-scale hierarchical growth, where the product of disk area and space density is conserved with redshift. Here the increased surface brightness generated by stellar evolution is accomodated by the reduced average galaxy size, for a wide range of geometries. These models are useful for assessing the limitations of the HDF images, by calculating their rates of incompleteness and the degree of over-counting. Finally we demonstrate the potential for improvement in quantifying evolution at fainter magnitudes using the HST Advanced Camera, with its superior UV and optical performance.

  16. Rate of reduction of ore-carbon composites: Part II. Modeling of reduction in extended composites

    SciTech Connect (OSTI)

    Fortini, O.M.; Fruehan, R.J. [US Steel Research & Technological Center, Monroeville, PA (United States)

    2005-12-01T23:59:59.000Z

    A new process for ironmaking was proposed using a rotary hearth furnace and an iron bath smelter to produce iron employing wood charcoal as an energy source and reductant. This paper examines reactions in composite pellet samples with sizes close to sizes used in industrial practice (10 to 16 min in diameter). A model was constructed using the combined kinetic mechanism developed in Part I of this series of articles along with equations for the computation of pellet temperature and shrinkage during the reaction. The analysis of reaction rates measured for pellets with wood charcoal showed that heat transfer plays a significant role in their overall rate of reaction at elevated temperatures. The slower rates measured in pellets containing coal char show that the intrinsic kinetics of carbon oxidation is more significant than heat transfer. Model calculations suggest that the rates are highly sensitive to the thermal conductivity of pellets containing wood charcoal and are less sensitive to the external conditions of heat transfer. It was seen that the changes in pellet surface area and diameter due to shrinkage introduce little change on reaction rates. The model developed provides an adequate description of pellets of wood charcoal up to circa 90% of reduction. Experimentally determined rates of reduction of iron oxide by wood charcoal were approximately 5 to 10 times faster than rates measured in pellets with coal char.

  17. THE PROPAGATION OF UNCERTAINTIES IN STELLAR POPULATION SYNTHESIS MODELING. II. THE CHALLENGE OF COMPARING GALAXY EVOLUTION MODELS TO OBSERVATIONS

    SciTech Connect (OSTI)

    Conroy, Charlie; Gunn, James E. [Department of Astrophysical Sciences, Princeton University, Princeton, NJ 08544 (United States); White, Martin [Departments of Physics and Astronomy, University of California Berkeley, CA 94720 (United States)

    2010-01-01T23:59:59.000Z

    Models for the formation and evolution of galaxies readily predict physical properties such as star formation rates, metal-enrichment histories, and, increasingly, gas and dust content of synthetic galaxies. Such predictions are frequently compared to the spectral energy distributions of observed galaxies via the stellar population synthesis (SPS) technique. Substantial uncertainties in SPS exist, and yet their relevance to the task of comparing galaxy evolution models to observations has received little attention. In the present work, we begin to address this issue by investigating the importance of uncertainties in stellar evolution, the initial stellar mass function (IMF), and dust and interstellar medium (ISM) properties on the translation from models to observations. We demonstrate that these uncertainties translate into substantial uncertainties in the ultraviolet, optical, and near-infrared colors of synthetic galaxies. Aspects that carry significant uncertainties include the logarithmic slope of the IMF above 1 M{sub sun}, dust attenuation law, molecular cloud disruption timescale, clumpiness of the ISM, fraction of unobscured starlight, and treatment of advanced stages of stellar evolution including blue stragglers, the horizontal branch, and the thermally pulsating asymptotic giant branch. The interpretation of the resulting uncertainties in the derived colors is highly non-trivial because many of the uncertainties are likely systematic, and possibly correlated with the physical properties of galaxies. We therefore urge caution when comparing models to observations.

  18. Modeling and identification of parallel nonlinear systems: Structural classification and parameter estimation methods

    SciTech Connect (OSTI)

    Chen, H.W. (Los Alamos National Lab., NM (United States). Biophysics Group M715)

    1995-01-01T23:59:59.000Z

    Structural classification and parameter estimation (SCPE) methods are used for studying single-input single-output (SISO) parallel linear-nonlinear-linear (LNL), linear-nonlinear (LN), and nonlinear-linear (NL) system models from input-output (I-O) measurements. The uniqueness of the I-O mappings (see the definition of the I-O mapping in Section 3-A) of some model structures is discussed. The uniqueness of the I-O mappings (see the definition of the I-O mapping in Section 3-A) of some model structures is discussed. The uniqueness of I-O mappings of different models tells them in what conditions different model structures can be differentiated from one another. Parameter uniqueness of the I-O mapping of a given structural model is also discussed, which tells the authors in what conditions a given model's parameters can be uniquely estimated from I-O measurements. These methods are then generalized so that they can be used to study single-input multi-output (SIMO), multi-input single-output (MISO), as well as multi-input multi-output (MIMO) nonlinear system models. Parameter estimation of the two-input single-output nonlinear system model (denoted as the 2f-structure in 2 cited references), which was left unsolved previously, can now be obtained using the newly derived algorithms. Applications of SCPE methods for modeling visual cortical neurons, system fault detection, modeling and identification of communication networks, biological systems, and natural and artificial neural networks are also discussed. The feasibility of these methods is demonstrated using simulated examples. SCPE methods presented in this paper can be further developed to study more complicated block-structures models, and will therefore have future potential for modeling and identifying highly complex multi-input multi-output nonlinear systems.

  19. Optimization Online - PSMG-A Parallel Structured Model Generator ...

    E-Print Network [OSTI]

    Feng Qiang

    2014-10-10T23:59:59.000Z

    Oct 10, 2014 ... As far as we are aware, PSMG is the first processor for an algebraic modelling language that is capable of generating the problem in parallel.

  20. A Non-Parametric Structural Hybrid Modeling Approach for ...

    E-Print Network [OSTI]

    2014-05-05T23:59:59.000Z

    May 5, 2014 ... themselves to a particular parametric form. Keywords: Electricity market; Electricity price modeling; Energy trading; Supply stack. 1. Introduction.

  1. Experimentally validated finite element model of electrocaloric multilayer ceramic structures

    SciTech Connect (OSTI)

    Smith, N. A. S., E-mail: nadia.smith@npl.co.uk, E-mail: maciej.rokosz@npl.co.uk, E-mail: tatiana.correia@npl.co.uk; Correia, T. M., E-mail: nadia.smith@npl.co.uk, E-mail: maciej.rokosz@npl.co.uk, E-mail: tatiana.correia@npl.co.uk [National Physical Laboratory, Hampton Road, TW11 0LW Middlesex (United Kingdom); Rokosz, M. K., E-mail: nadia.smith@npl.co.uk, E-mail: maciej.rokosz@npl.co.uk, E-mail: tatiana.correia@npl.co.uk [National Physical Laboratory, Hampton Road, TW11 0LW Middlesex (United Kingdom); Department of Materials, Imperial College London, London SW7 2AZ (United Kingdom)

    2014-07-28T23:59:59.000Z

    A novel finite element model to simulate the electrocaloric response of a multilayer ceramic capacitor (MLCC) under real environment and operational conditions has been developed. The two-dimensional transient conductive heat transfer model presented includes the electrocaloric effect as a source term, as well as accounting for radiative and convective effects. The model has been validated with experimental data obtained from the direct imaging of MLCC transient temperature variation under application of an electric field. The good agreement between simulated and experimental data, suggests that the novel experimental direct measurement methodology and the finite element model could be used to support the design of optimised electrocaloric units and operating conditions.

  2. Interactive physically-based structural modeling of hydrocarbon systems Mael Bosson a,

    E-Print Network [OSTI]

    Redon, Stephane - NRIA Grenoble

    using scripts and/or modeling tools. For many systems, however, these building methods may models of hydrocarbon systems. As the user edits the geometry of the system, atomic positions are alsoInteractive physically-based structural modeling of hydrocarbon systems Mael Bosson a, , Sergei

  3. Identification of a sound-insulation layer modelled by fuzzy structure theory -Experimental validation

    E-Print Network [OSTI]

    Boyer, Edmond

    Identification of a sound-insulation layer modelled by fuzzy structure theory - Experimental.fernandez@univ-paris-est.fr Abstract One proposes a novel approach to model sound-insulation layers based on the use of the fuzzy in computational models. The keypoint of the method is the construction of a mean elastoacoustic sound-insulation

  4. Sound-insulation layers low-frequency modeling, using the fuzzy structure theory

    E-Print Network [OSTI]

    Boyer, Edmond

    09NVC-0163 Sound-insulation layers low-frequency modeling, using the fuzzy structure theory Laurent [20,200] Hz, sound-insulation layer modeling remains a critical topic. Recent work allows- insulation layer. Nevertheless, such an approach requires a FE model of sound-insulation layer, which may

  5. Non-chiral fusion rules, structure constants of D_m minimal models

    E-Print Network [OSTI]

    A. Rida; T. Sami

    1999-10-07T23:59:59.000Z

    We present a technique to construct, for $D_{m}$ unitary minimal models, the non-chiral fusion rules which determines the operator content of the operator product algebra. Using these rules we solve the bootstrap equations and therefore determine the structure constants of these models. Through this approach we emphasize the role played by some discrete symmetries in the classification of minimal models.

  6. Anisotropic damage modelling of biaxial behaviour and rupture of concrete structures

    E-Print Network [OSTI]

    Boyer, Edmond

    Anisotropic damage modelling of biaxial behaviour and rupture of concrete structures Ragueneau F with damage induced anisotropy modelling for concrete-like materials. A thermodynamics based constitutive relationship is presented coupling anisotropic damage and elasticity. The biaxial behaviour of such a model

  7. Key to images: [1] Model system: fission yeast [2] Cryo-EM structure

    E-Print Network [OSTI]

    Brierley, Andrew

    Key to images: [1] Model system: fission yeast [2] Cryo-EM structure of the MCM helicase [3 combing [8] Model system: Xenopus [9] Extreme environments [10] Model system: C.elegans. Background image of the evolution of the replication machinery highlighted. BSRC B306 Email: sam31@st-and.ac.uk 1 2 3 4 5 6 7 8 9 10

  8. Relation Between Structure, Function, and Imaging in a Three-Dimensional Model of the Lung

    E-Print Network [OSTI]

    Lutchen, Kenneth

    Relation Between Structure, Function, and Imaging in a Three-Dimensional Model of the Lung NORA T morphometric mod- els to predict function relations in the lung. These models, however, are not anatomically explicit. We have advanced a three-dimensional airway tree model to relate dynamic lung function

  9. Electron spin and the origin of Bio-homochirality II. Prebiotic inorganic-organic reaction model

    E-Print Network [OSTI]

    Wang, Wei

    2014-01-01T23:59:59.000Z

    The emergence of biomolecular homochirality is a critically important question about life phenomenon and the origins of life. In a previous paper (arXiv:1309.1229), I tentatively put forward a new hypothesis that the emergence of a single chiral form of biomolecules in living organisms is specifically determined by the electron spin state during their enzyme-catalyzed synthesis processes. However, how a homochirality world of biomolecules could have formed in the absence of enzymatic networks before the origins of life remains unanswered. Here I discussed the electron spin properties in Fe3S4, ZnS, and transition metal doped dilute magnetic ZnS, and their possible roles in the prebiotic synthesis of chiral molecules. Since the existence of these minerals in hydrothermal vent systems is matter of fact, the suggested prebiotic inorganic-organic reaction model, if can be experimentally demonstrated, may help explain where and how life originated on early Earth.

  10. Synthesis and X-ray structure analysis of a new binuclear Schiff base Co(II) complex with the ligand N,N'-bis(3-methoxysalicylidene)-1,4-butanediamine

    SciTech Connect (OSTI)

    Nasr-Esfahani, M., E-mail: m-nasresfahani@iaun.ac.ir [Islamic Azad University, Najafabad Branch, Department of Materials Science and Engineering (Iran, Islamic Republic of)

    2009-12-15T23:59:59.000Z

    The title binuclear complex, tris[N,N-bis(3-methoxysalicylidene)-1,4-diaminobutane] dicobalt(II), C{sub 60}H{sub 70}Co{sub 2}N{sub 6}O{sub 15}, was prepared by the reaction of the tetradentate Schiff base ligand bis(3-methoxysalicylidene)-1,4-diaminobutane and Co(CH{sub 3}COO){sub 2} . 4H{sub 2}O in a ethanol solution and structurally characterized by single-crystal X-ray diffraction. This complex has a dinuclear structure where two Co(II) ions are bridged by one N{sup 0},N'-bis(3-methoxysalicylidene)-1,4-diaminobutane. The two Co(II) ions, have two distorted octahedral coordination involving two O and two N atoms.

  11. A survey of air flow models for multizone structures

    SciTech Connect (OSTI)

    Feustel, H.E.; Dieris, J.

    1991-03-01T23:59:59.000Z

    Air flow models are used to simulate the rates of incoming and outgoing air flows for a building with known leakage under given weather and shielding conditions. Additional information about the flow paths and air-mass flows inside the building can only by using multizone air flow models. In order to obtain more information on multizone air flow models, a literature review was performed in 1984. A second literature review and a questionnaire survey performed in 1989, revealed the existence of 50 multizone air flow models, all developed since 1966, two of which are still under development. All these programs use similar flow equations for crack flow but differ in the versatility to describe the full range of flow phenomena and the algorithm provided for solving the set of nonlinear equations. This literature review was found that newer models are able to describe and simulate the ventilation systems and interrelation of mechanical and natural ventilation. 27 refs., 2 figs., 1 tab.

  12. Bachelor Thesis Modeling the interface of oxide hetero-structures

    E-Print Network [OSTI]

    Pfeifer, Holger

    composition at the SrTiO3-YBa2Cu2O7- La0.67Ca0.33MnO3 (Superconductor-Ferromagnet ) and LaSrAlO4-LaNiO3-LaAlO3 structures have been shown to have interesting properties including magnetism, superconductivity, metal

  13. Photon storage in Lambda-type optically dense atomic media. II. Free-space model

    E-Print Network [OSTI]

    Alexey V. Gorshkov; Axel Andre; Mikhail D. Lukin; Anders S. Sorensen

    2007-09-08T23:59:59.000Z

    In a recent paper [Gorshkov et al., Phys. Rev. Lett. 98, 123601 (2007)], we presented a universal physical picture for describing a wide range of techniques for storage and retrieval of photon wave packets in Lambda-type atomic media in free space, including the adiabatic reduction of the photon group velocity, pulse-propagation control via off-resonant Raman techniques, and photon-echo based techniques. This universal picture produced an optimal control strategy for photon storage and retrieval applicable to all approaches and yielded identical maximum efficiencies for all of them. In the present paper, we present the full details of this analysis as well some of its extensions, including the discussion of the effects of non-degeneracy of the two lower levels of the Lambda system. The analysis in the present paper is based on the intuition obtained from the study of photon storage in the cavity model in the preceding paper [Gorshkov et al., Phys. Rev. A 76, 033804 (2007)].

  14. Lattice model of linear telechelic polymer melts. II. Influence of chain stiffness on basic thermodynamic properties

    E-Print Network [OSTI]

    Wen-Sheng Xu; Karl F. Freed

    2015-06-26T23:59:59.000Z

    The lattice cluster theory (LCT) for semiflexible linear telechelic melts, developed in paper I, is applied to examine the influence of chain stiffness on the average degree of self-assembly and the basic thermodynamic properties of linear telechelic polymer melts. Our calculations imply that chain stiffness promotes self-assembly of linear telechelic polymer melts that assemble on cooling when either polymer volume fraction $\\phi$ or temperature $T$ is high, but opposes self-assembly when both $\\phi$ and $T$ are sufficiently low. This allows us to identify a boundary line in the $\\phi$-$T$ plane that separates two regions of qualitatively different influence of chain stiffness on self-assembly. The enthalpy and entropy of self-assembly are usually treated as adjustable parameters in classical Flory-Huggins type theories for the equilibrium self-assembly of polymers, but they are demonstrated here to strongly depend on chain stiffness. Moreover, illustrative calculations for the dependence of the entropy density of linear telechelic polymer melts on chain stiffness demonstrate the importance of including semiflexibility within the LCT when exploring the nature of glass formation in models of linear telechelic polymer melts.

  15. Structural Properties of Tetra-tert-butyl Zinc(II) Phthalocyanine Isomers on a Au(111) Z. T. Deng, H. M. Guo, W. Guo, L. Gao, Z. H. Cheng, D. X. Shi, and H.-J. Gao*

    E-Print Network [OSTI]

    Gao, Hongjun

    . Deng, H. M. Guo, W. Guo, L. Gao, Z. H. Cheng, D. X. Shi, and H.-J. Gao* Beijing National LaboratoryStructural Properties of Tetra-tert-butyl Zinc(II) Phthalocyanine Isomers on a Au(111) Surface Z. T

  16. array ii comparing: Topics by E-print Network

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

    I I I I IIIIIIIIIIIIIIIIIIIII I II I I I II I I I II I I 292 STEAM RECEIVER MODELS FOR SOLAR DISH CONCENTRATORS: TWO MODELS COMPARED Energy Storage, Conversion and Utilization...

  17. Computational tools for modeling and measuring chromosome structure

    E-Print Network [OSTI]

    Ross, Brian Christopher

    2012-01-01T23:59:59.000Z

    DNA conformation within cells has many important biological implications, but there are challenges both in modeling DNA due to the need for specialized techniques, and experimentally since tracing out in vivo conformations ...

  18. Engineering change modelling using a function-behaviour-structure scheme

    E-Print Network [OSTI]

    Hamraz, Bahram

    2013-11-12T23:59:59.000Z

    an FBS Linkage model is demonstrated. The method’s potential benefits are discussed. Finally, the application of the method to two industrial case studies involving a diesel engine and a scanning electron microscope is presented. The method evaluation...

  19. Numerical and physical modeling of hydraulic structures Hydraulic structures are used to control the flow of water in hydropower developments, urban

    E-Print Network [OSTI]

    Barthelat, Francois

    Numerical and physical modeling of hydraulic structures Hydraulic structures are used to control, their solution is found either by physical hydraulic modeling or, more recently, by numerical modeling significantly reduce turbine efficiency and cause premature mechanical failure when they occur at hydropower

  20. Essays on empirical time series modeling with causality and structural change 

    E-Print Network [OSTI]

    Kim, Jin Woong

    2006-10-30T23:59:59.000Z

    In this dissertation, three related issues of building empirical time series models for financial markets are investigated with respect to contemporaneous causality, dynamics, and structural change. In the first essay, nation-wide industry...

  1. Green Water Flow Kinematics and Impact Pressure on a Three Dimensional Model Structure

    E-Print Network [OSTI]

    Ariyarathne, Hanchapola Appuhamilage Kusalika Suranjani

    2011-10-21T23:59:59.000Z

    Flow kinematics of green water due to plunging breaking waves interacting with a simplified, three-dimensional model structure was investigated in laboratory. Two breaking wave conditions were tested: one with waves impinging and breaking...

  2. 1Banff 6/06 Structural Break Detection in Time Series ModelsStructural Break Detection in Time Series Models

    E-Print Network [OSTI]

    breaks in this series? #12;5Banff 6/06 Introduction Examples AR GARCH Stochastic volatility State space Simulation results Applications Simulation results for GARCH and SV models #12;6Banff 6/06 Examples 1 ),,( 1 jjpj K #12;7Banff 6/06 Examples (cont) 2. Segmented GARCH model: where 0 = 1

  3. 1NCAR-IMAGe 2006 Structural Break Detection in Time Series ModelsStructural Break Detection in Time Series Models

    E-Print Network [OSTI]

    -202 Any breaks in this series? #12;5NCAR-IMAGe 2006 Introduction Examples AR GARCH Stochastic volatility break estimation Simulation results Applications Simulation results for GARCH and SV models #12;6NCAR-tjptjptjjt tYYY jj GARCH model

  4. Automated Eukaryotic Gene Structure Annotation Using EVidenceModeler and the Program to Assemble Spliced Alignments

    SciTech Connect (OSTI)

    Haas, B J; Salzberg, S L; Zhu, W; Pertea, M; Allen, J E; Orvis, J; White, O; Buell, C R; Wortman, J R

    2007-12-10T23:59:59.000Z

    EVidenceModeler (EVM) is presented as an automated eukaryotic gene structure annotation tool that reports eukaryotic gene structures as a weighted consensus of all available evidence. EVM, when combined with the Program to Assemble Spliced Alignments (PASA), yields a comprehensive, configurable annotation system that predicts protein-coding genes and alternatively spliced isoforms. Our experiments on both rice and human genome sequences demonstrate that EVM produces automated gene structure annotation approaching the quality of manual curation.

  5. A Dimensionless Model for Predicting the Mass-Transfer Area of Structured Packing

    E-Print Network [OSTI]

    Eldridge, R. Bruce

    area Introduction Packing is commonly used in absorption and distillation columns to promote efficient structured packings was measured in a 0.427 m ID column via absorption of CO2 from air into 0.1 kmol/m3 Na structured packing area model is especially critical for the analysis and design of these processes. Wang et

  6. COMMENTS ON STRUCTURAL CONDITION ANALYSIS BASED ON STRAIN MEASUREMENTS ON TRIPOD MODEL

    E-Print Network [OSTI]

    Boyer, Edmond

    depth of 50 m. Bigger size wind turbines are now designed in order to produce more electrical power thanCOMMENTS ON STRUCTURAL CONDITION ANALYSIS BASED ON STRAIN MEASUREMENTS ON TRIPOD MODEL S. Opoka1, M strain can be valuable indicator of such changes. KEYWORDS : offshore support structure, wind turbine

  7. Merchant Commodity Storage and Term Structure Model Error Nicola Secomandi,1

    E-Print Network [OSTI]

    Sadeh, Norman M.

    the futures term structure affect the valuation and hedging of natural gas storage. We find that even small impact on storage valuation and hedging. In particular, theoretically equivalent hedging strategies haveMerchant Commodity Storage and Term Structure Model Error Nicola Secomandi,1 Guoming Lai,2 Fran

  8. Prediction Intervals for NAR Model Structures Using a Bootstrap De Brabanter J.,

    E-Print Network [OSTI]

    Prediction Intervals for NAR Model Structures Using a Bootstrap Method De Brabanter J structure. Our approach relies on the external bootstrap procedure [1]. This method is contrasted. In this paper, an external bootstrap method will be proposed for this purpose. The bootstrap is a computer

  9. DAMAGE DETECTION BASED ON STRUCTURAL RESPONSE TO TEMPERATURE CHANGES AND MODEL UPDATING

    E-Print Network [OSTI]

    Boyer, Edmond

    DAMAGE DETECTION BASED ON STRUCTURAL RESPONSE TO TEMPERATURE CHANGES AND MODEL UPDATING Marian The paper proposes use of measured structural response to temperature loads for purposes of damage identification. As opposed to the most common approaches, which rely on suppressing temperature effects in damage

  10. Reviewing progress in PJM's capacity market structure via the new reliability pricing model

    SciTech Connect (OSTI)

    Sener, Adil Caner; Kimball, Stefan

    2007-12-15T23:59:59.000Z

    The Reliability Pricing Model introduces significant changes to the capacity market structure of PJM. The main feature of the RPM design is a downward-sloping demand curve, which replaces the highly volatile vertical demand curve. The authors review the latest RPM structure, results of the auctions, and the future course of the implementation process. (author)

  11. MODELLING RADIATIVELY ACTIVE WATER-ICE CLOUDS: IMPACT ON THE THERMAL STRUCTURE AND WATER CYCLE.

    E-Print Network [OSTI]

    Madeleine, Jean-Baptiste

    MODELLING RADIATIVELY ACTIVE WATER-ICE CLOUDS: IMPACT ON THE THERMAL STRUCTURE AND WATER CYCLE. J. The essential role of water-ice clouds in shaping the thermal structure of the martian atmosphere has been long presumed [1] but neglected in GCMs because of the lack of observations and difficulty to predict

  12. Accepted in Methods Mol Biol. 2010 3D-structural models of transmembrane proteins.

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    of transmembrane proteins is a major research area. Due to the lack of available 3D structures, automatic homology1 Accepted in Methods Mol Biol. 2010 3D-structural models of transmembrane proteins. Alexandre G proteins are macromolecules implicated in major biological process and diseases. Due to their specific

  13. Constitutive model for predicting dynamic interactions between soil ejecta and structural panels

    E-Print Network [OSTI]

    Wadley, Haydn

    Blast loading a b s t r a c t A constitutive model is developed for the high-rate deformation that the deflections and reaction forces induced by the blast are smaller and the incidence of tearing is diminished to the structure (relative to a thicker solid plate) through a fluid/structure interaction (FSI) effect (Deshpande

  14. Adaptive modeling of environmental e ects in modal parameters for damage detection in civil structures

    E-Print Network [OSTI]

    Stanford University

    Adaptive modeling of environmental e ects in modal parameters for damage detection in civil parameters due to temperature changes from those caused by structural damage or other environmental e ects to environmental factors can be far larger than those caused by structural damage. During damp weather, for example

  15. Structure of light meson multiplets and a semirelativistic model

    SciTech Connect (OSTI)

    Fulcher, L.P.

    1986-11-01T23:59:59.000Z

    A semirelativistic model of light quark-antiquark pairs, which is an extension of the phenomenological model of De Rujula, Georgi, and Glashow, is presented. Our model incorporates significant new relativistic kinetic energy effects as well as important relativistic corrections to the potential energy. For definiteness, the potential of Gupta, Radford, and Repko is used to help define the mass parameters. In order to obtain good agreement between theory and experiment, we include quark-antiquark annihilation effects for the 1S mesons and higher-order spin-spin effects for the 2S mesons. We are also successful at identifying numerous meson states between about 900 and 2300 MeV as members of the 1P, 1D, and 1F multiplets. Predictions are given for the locations of 19 missing meson states between 1300 and 2300 MeV.

  16. Structured Probabilistic Models of Proteins across Spatial and Fitness Landscapes

    E-Print Network [OSTI]

    acid composition in response to changing fitness landscapes. The thesis of this dissertation interactions quickly and accurately. We then develop a method of learning generative models of amino acid cocktails that remain effective against natural possible mutant variants of the tar- get. Towards this

  17. Template-Based Modeling of Protein Structure David Constant

    E-Print Network [OSTI]

    will obviously have an effect on the quality of the ultimate model that is predicted. In recent years, the line this method. Simple BLAST searches comparing sequences to sequences can be sufficient for very easy queries the query to templates using sequence profiles generated by PSI- BLAST or HMM can result

  18. Modeling hierarchically structured nanoparticle/diblock copolymer systems

    E-Print Network [OSTI]

    Lisal, Martin

    challenge. In this work, we present a molecular modeling approach for predicting the nanostructure of hybrid of the DBCPs can be harnessed to promote the ordering of the NPs and thereby create highly organized hybrid so materials systems, such as DBCP- based nanocomposites.24 Indeed, the nal morphology of DBCP

  19. A finite element model for transient thermal/structural analysis of large composite space structures

    E-Print Network [OSTI]

    Lutz, James Delmar

    1986-01-01T23:59:59.000Z

    Versus Time at Solar and Antisolar Points For Cross-Section Number 2 84 28 Temperature Versus Time at Solar and Antisolar Points f' or Cross-Section Number 3 . . . . . . . . . . . . . 85 29 Thermal Noments Versus Time 87 30 Thermal Axial Forces... ar bitrar y domain xi v Superscripts conduction element iteration number flux radiation thermal Subscripts initial reference solar unstrained state INTRODVCTION In the next few decades large space structures will be placed into earth...

  20. 3D radiative transfer simulations of Eta Carinae's inner colliding winds - II: Ionization structure of helium at periastron

    E-Print Network [OSTI]

    Clementel, Nicola; Kruip, Chael J H; Paardekooper, Jan-Pieter

    2015-01-01T23:59:59.000Z

    Spectral observations of the massive colliding wind binary Eta Carinae show phase-dependent variations, in intensity and velocity, of numerous helium emission and absorption lines throughout the entire 5.54-year orbit. Approaching periastron, the 3D structure of the wind-wind interaction region (WWIR) gets highly distorted due to the eccentric ($e \\sim 0.9$) binary orbit. The secondary star ($\\eta_{\\mathrm{B}}$) at these phases is located deep within the primary's dense wind photosphere. The combination of these effects is thought to be the cause of the particularly interesting features observed in the helium lines at periastron. We perform 3D radiative transfer simulations of $\\eta$ Car's interacting winds at periastron. Using the SimpleX radiative transfer algorithm, we post-process output from 3D smoothed particle hydrodynamic simulations of the inner 150 au of the $\\eta$ Car system for two different primary star mass-loss rates ($\\dot{M}_{\\eta_{\\mathrm{A}}}$). Using previous results from simulations at ap...

  1. The H I chronicles of little things BCDs II: The origin of IC 10's H I structure

    SciTech Connect (OSTI)

    Ashley, Trisha; Simpson, Caroline E.; Pokhrel, Nau Raj [Department of Physics, Florida International University, 11200 SW 8th Street, CP 204, Miami, FL 33199 (United States); Elmegreen, Bruce G. [IBM T. J. Watson Research Center, PO Box 218, Yorktown Heights, New York 10598 (United States); Johnson, Megan [CSIRO Astronomy and Space Science P.O. Box 76, Epping, NSW 1710 Australia (Australia); Nidever, David L., E-mail: trisha.l.ashley@nasa.gov, E-mail: simpsonc@fiu.edu, E-mail: npokh001@fiu.edu, E-mail: bge@us.ibm.com, E-mail: megan.johnson@csiro.au, E-mail: dnidever@umich.edu [Department of Astronomy, University of Michigan Ann Arbor, MI, 48109 (United States)

    2014-12-01T23:59:59.000Z

    In this paper we analyze Very Large Array (VLA) telescope and Green Bank Telescope (GBT) atomic hydrogen (H I) data for the LITTLE THINGS (Local Irregulars That Trace Luminosity Extremes, The H I Nearby Galaxy Survey; https://science.nrao.edu/science/surveys/littlethings) blue compact dwarf galaxy IC 10. The VLA data allow us to study the detailed H I kinematics and morphology of IC 10 at high resolution while the GBT data allow us to search the surrounding area at high sensitivity for tenuous H I. IC 10's H I appears highly disturbed in both the VLA and GBT H I maps with a kinematically distinct northern H I extension, a kinematically distinct southern plume, and several spurs in the VLA data that do not follow the general kinematics of the main disk. We discuss three possible origins of its H I structure and kinematics in detail: a current interaction with a nearby companion, an advanced merger, and accretion of intergalactic medium. We find that IC 10 is most likely an advanced merger or a galaxy undergoing accretion.

  2. Analysis of Structural MtrC Models Based on Homology with the Crystal Structure of MtrF

    SciTech Connect (OSTI)

    Edwards, Marcus; Fredrickson, Jim K.; Zachara, John M.; Richardson, David; Clarke, Thomas A.

    2012-12-01T23:59:59.000Z

    The outer-membrane decahaem cytochrome MtrC is part of the transmembrane MtrCAB complex required for mineral respiration by Shewanella oneidensis. MtrC has significant sequence similarity to the paralogous decahaem cytochrome MtrF, which has been structurally solved through X-ray crystallography. This now allows for homology-based models of MtrC to be generated. The structure of these MtrC homology models contain ten bis-histidine-co-ordinated c-type haems arranged in a staggered cross through a four-domain structure. This model is consistent with current spectroscopic data and shows that the areas around haem 5 and haem 10, at the termini of an octahaem chain, are likely to have functions similar to those of the corresponding haems in MtrF. The electrostatic surfaces around haem 7, close to the ?-barrels, are different in MtrF and MtrC, indicating that these haems may have different potentials and interact with substrates differently.

  3. Modelling the Structure and Dynamics of Science Using Books

    E-Print Network [OSTI]

    Ginda, Michael; Borner, Katy

    2015-01-01T23:59:59.000Z

    Scientific research is a major driving force in a knowledge based economy. Income, health and wellbeing depend on scientific progress. The better we understand the inner workings of the scientific enterprise, the better we can prompt, manage, steer, and utilize scientific progress. Diverse indicators and approaches exist to evaluate and monitor research activities, from calculating the reputation of a researcher, institution, or country to analyzing and visualizing global brain circulation. However, there are very few predictive models of science that are used by key decision makers in academia, industry, or government interested to improve the quality and impact of scholarly efforts. We present a novel 'bibliographic bibliometric' analysis which we apply to a large collection of books relevant for the modelling of science. We explain the data collection together with the results of the data analyses and visualizations. In the final section we discuss how the analysis of books that describe different modellin...

  4. Potts model based on a Markov process computation solves the community structure problem effectively

    E-Print Network [OSTI]

    Li, Hui-Jia; Wu, Ling-Yun; Zhang, Junhua; Zhang, Xiang-Sun

    2015-01-01T23:59:59.000Z

    Potts model is a powerful tool to uncover community structure in complex networks. Here, we propose a new framework to reveal the optimal number of communities and stability of network structure by quantitatively analyzing the dynamics of Potts model. Specifically we model the community structure detection Potts procedure by a Markov process, which has a clear mathematical explanation. Then we show that the local uniform behavior of spin values across multiple timescales in the representation of the Markov variables could naturally reveal the network's hierarchical community structure. In addition, critical topological information regarding to multivariate spin configuration could also be inferred from the spectral signatures of the Markov process. Finally an algorithm is developed to determine fuzzy communities based on the optimal number of communities and the stability across multiple timescales. The effectiveness and efficiency of our algorithm are theoretically analyzed as well as experimentally validate...

  5. STOCHASTIC COMPUTATIONAL DYNAMICAL MODEL OF UNCERTAIN STRUCTURE COUPLED WITH AN INSULATION LAYER

    E-Print Network [OSTI]

    Boyer, Edmond

    STOCHASTIC COMPUTATIONAL DYNAMICAL MODEL OF UNCERTAIN STRUCTURE COUPLED WITH AN INSULATION LAYER the effect of insulation layers in complex dynamical systems for low- and medium-frequency ranges such as car booming noise analysis, one introduces a sim- plified stochastic model of insulation layers based

  6. An Efficient Genetic Algorithm for Predicting Protein Tertiary Structures in the 2D HP Model

    E-Print Network [OSTI]

    Istrail, Sorin

    , predicting its tertiary structure is known as the protein folding problem. This problem has been widely genetic algo- rithm for the protein folding problem under the HP model in the two-dimensional square Genetic Algorithm, Protein Folding Problem, 2D HP Model 1. INTRODUCTION Amino acids are the building

  7. A SURVEY OF COMMODITY MARKETS AND STRUCTURAL MODELS FOR ELECTRICITY PRICES

    E-Print Network [OSTI]

    Carmona, Rene

    the relationship between prices and underlying drivers more easily than in most other marketsA SURVEY OF COMMODITY MARKETS AND STRUCTURAL MODELS FOR ELECTRICITY PRICES RENE CARMONA AND MICHAEL and the methods which have been proposed to handle them in spot and forward price models. We devote special

  8. Dynamic model failure tests of dam structures Dalian University of Technology, Dalian 116024, China

    E-Print Network [OSTI]

    Spencer Jr., B.F.

    Dynamic model failure tests of dam structures Gao Lin Dalian University of Technology, Dalian failure tests of a number of concrete gravity dams, concrete arch dams and embankment dams have been index for the safety assessment of concrete dams and is predicted through dynamic model failure tests

  9. Hierarchical Modelling of Automotive Sensor Front-Ends For Structural Diagnosis of Aging Faults

    E-Print Network [OSTI]

    Wieringa, Roel

    h.g.kerkhoff@utwente.nl Abstract: The semiconductor industry for automotive applications is growingHierarchical Modelling of Automotive Sensor Front-Ends For Structural Diagnosis of Aging Faults, dependability, reliability, aging models, hierarchical interfacing, analogue automotive front-ends. I

  10. Social Networks An Overview of Approaches to Visualize their Structure, Model their

    E-Print Network [OSTI]

    Nagurney, Anna

    Social Networks An Overview of Approaches to Visualize their Structure, Model their Emergence of a Social Network Representations of Social Networks Modeling the Emergence of Networks Flows on Networks of Relationships in Supply Chain and Financial Networks #12;Definition of Social Networks "A social network

  11. An Empirical Study on Statistical Disambiguation of Japanese Dependency Structures Using a Lexically Sensitive Language Model

    E-Print Network [OSTI]

    Shirai, Kiyoaki

    : The language model used in a statistical parser should have probabilistically well-founded se- mantics, which simultaneously1 . In this context, we newly designed a framework of statistical language modeling taking all) and (Collins, 1997) due to the lack of modularity of statistical types. 2Although syntactic structure R

  12. Emergence of structured interactions: from a theoretical model to pragmatic robotics

    E-Print Network [OSTI]

    Boyer, Edmond

    , the the underlying dynamical parameters of the model will be applied to 2 robotic controllers in order to increaseEmergence of structured interactions: from a theoretical model to pragmatic robotics A.Revel ETIS In this article, we present two neural architectures for the control of socially interacting robots. Beginning

  13. Analysis of the structural parameters that influence gas production from the Devonian shale. Annual progress report, 1979-1980. Volume II. Data repository and reports published during fiscal year 1979-1980: regional structure, surface structure, surface fractures, hydrology

    SciTech Connect (OSTI)

    Negus-De Wys, J.; Dixon, J. M.; Evans, M. A.; Lee, K. D.; Ruotsala, J. E.; Wilson, T. H.; Williams, R. T.

    1980-10-01T23:59:59.000Z

    This volume comprises appendices giving regional structure data, surface structure data, surface fracture data, and hydrology data. The fracture data covers oriented Devonian shale cores from West Virginia, Ohio, Virginia, Pennsylvania, and Kentucky. The subsurface structure of the Eastern Kentucky gas field is also covered. (DLC)

  14. A Change of Solar He II EUV Global Network Structure of the Transition Region as an Indicator of Geo-Effectiveness of Solar Minima

    E-Print Network [OSTI]

    Didkovsky, Leonid

    2013-01-01T23:59:59.000Z

    Solar activity during 2007--2009 was very low, causing anomalously low thermospheric density. A comparison of solar extreme ultraviolet (EUV) irradiance in the He II spectral band (26 to 34 nm) from the Solar Extreme ultraviolet Monitor (SEM), one of instruments on the Charge Element and Isotope Analysis System (CELIAS) onboard of the Solar and Heliospheric Observatory (SOHO) for the two latest solar minima showed a decrease of the absolute irradiance of about 15 +- 6 % during the solar minimum between Cycles 23 and 24 compared with the Cycles 22/23 minimum when a yearly running mean filter was used. We found that some local, shorter-term minima including those with the same absolute EUV flux in the SEM spectral band show a larger concentration of spatial power in the global network structure from the 30.4 nm SOHO Extreme ultraviolet Imaging Telescope (EIT) images for the local minimum of 1996 compared with the minima of 2008--2011. We interpret this larger concentration of spatial power in the transition reg...

  15. An Analytic Linear Accelerator Source Model for Monte Carlo dose calculations. II. Model Utilization in a GPU-based Monte Carlo Package and Automatic Source Commissioning

    E-Print Network [OSTI]

    Tian, Zhen; Li, Yongbao; Shi, Feng; Jiang, Steve B; Jia, Xun

    2015-01-01T23:59:59.000Z

    We recently built an analytical source model for GPU-based MC dose engine. In this paper, we present a sampling strategy to efficiently utilize this source model in GPU-based dose calculation. Our source model was based on a concept of phase-space-ring (PSR). This ring structure makes it effective to account for beam rotational symmetry, but not suitable for dose calculations due to rectangular jaw settings. Hence, we first convert PSR source model to its phase-space let (PSL) representation. Then in dose calculation, different types of sub-sources were separately sampled. Source sampling and particle transport were iterated. So that the particles being sampled and transported simultaneously are of same type and close in energy to alleviate GPU thread divergence. We also present an automatic commissioning approach to adjust the model for a good representation of a clinical linear accelerator . Weighting factors were introduced to adjust relative weights of PSRs, determined by solving a quadratic minimization ...

  16. Structural Topic Model for Latent Topical Structure Analysis Hongning Wang, Duo Zhang, ChengXiang Zhai

    E-Print Network [OSTI]

    Zhai, ChengXiang

    models (Hofmann, 1999; Blei et al., 2003) to explore word co-occurrence pat- terns, i.e. topics, embedded.g., (Blei and Jordan, 2003; Blei and Lafferty, 2007; Mei et al., 2007; Lu and Zhai, 2008)). In general (Blei et al., 2003), i.e., the doc- ument generation probabilities are invariant to con- tent

  17. Iterative model-building, structure refinement, and density modification with the PHENIX AutoBuild Wizard

    SciTech Connect (OSTI)

    Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545, USA; Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720, USA; Department of Haematology, University of Cambridge, Cambridge CB2 0XY, England; Terwilliger, Thomas; Terwilliger, T.C.; Grosse-Kunstleve, Ralf Wilhelm; Afonine, P.V.; Moriarty, N.W.; Zwart, P.H.; Hung, L.-W.; Read, R.J.; Adams, P.D.

    2007-04-29T23:59:59.000Z

    The PHENIX AutoBuild Wizard is a highly automated tool for iterative model-building, structure refinement and density modification using RESOLVE or TEXTAL model-building, RESOLVE statistical density modification, and phenix.refine structure refinement. Recent advances in the AutoBuild Wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model completion algorithms, and automated solvent molecule picking. Model completion algorithms in the AutoBuild Wizard include loop-building, crossovers between chains in different models of a structure, and side-chain optimization. The AutoBuild Wizard has been applied to a set of 48 structures at resolutions ranging from 1.1 {angstrom} to 3.2 {angstrom}, resulting in a mean R-factor of 0.24 and a mean free R factor of 0.29. The R-factor of the final model is dependent on the quality of the starting electron density, and relatively independent of resolution.

  18. Iterative model building, structure refinement and density modification with the PHENIX AutoBuild wizard

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545 (United States); Grosse-Kunstleve, Ralf W.; Afonine, Pavel V.; Moriarty, Nigel W.; Zwart, Peter H. [Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720 (United States); Hung, Li-Wei [Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545 (United States); Read, Randy J. [Department of Haematology, University of Cambridge, Cambridge CB2 0XY (United Kingdom); Adams, Paul D., E-mail: terwilliger@lanl.gov [Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720 (United States); Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545 (United States)

    2008-01-01T23:59:59.000Z

    The highly automated PHENIX AutoBuild wizard is described. The procedure can be applied equally well to phases derived from isomorphous/anomalous and molecular-replacement methods. The PHENIX AutoBuild wizard is a highly automated tool for iterative model building, structure refinement and density modification using RESOLVE model building, RESOLVE statistical density modification and phenix.refine structure refinement. Recent advances in the AutoBuild wizard and phenix.refine include automated detection and application of NCS from models as they are built, extensive model-completion algorithms and automated solvent-molecule picking. Model-completion algorithms in the AutoBuild wizard include loop building, crossovers between chains in different models of a structure and side-chain optimization. The AutoBuild wizard has been applied to a set of 48 structures at resolutions ranging from 1.1 to 3.2 Å, resulting in a mean R factor of 0.24 and a mean free R factor of 0.29. The R factor of the final model is dependent on the quality of the starting electron density and is relatively independent of resolution.

  19. Localized structures and front propagation in the Lengyel-Epstein model

    SciTech Connect (OSTI)

    Jensen, O.; Pannbacker, V.O.; Mosekilde, E.; Dewel, G.; Borckmans, P. (Physics Department, Technical University of Denmark, 2800 Lyngby (Denmark) Service de Chimie-Physique, Code Postal 231 Universite Libre de Bruxelles, 1050 Brussels (Belgium))

    1994-08-01T23:59:59.000Z

    Pattern selection, localized structure formation, and front propagation are analyzed within the framework of a model for the chlorine dioxide--iodine--malonic acid reaction that represents a key to understanding recently obtained Turing structures. This model is distinguished from previously studied, simple reaction-diffusion models by producing a strongly subcritical transition to stripes. The wave number for the modes of maximum linear gain is calculated and compared with the dominant wave number for the finally selected, stationary structures grown from the homogeneous steady state or developed behind a traveling front. The speed of propagation for a front between the homogeneous steady state and a one-dimensional (1D) Turing structure is obtained. This velocity shows a characteristic change in behavior at the crossover between the subcritical and supercritical regimes for the Turing bifurcation. In the subcritical regime there is an interval where the front velocity vanishes as a result of a pinning of the front to the underlying structure. In 2D, two different nucleation mechanisms for hexagonal structures are illustrated on the Lengyel-Epstein and the Brusselator model. Finally, the observation of 1D and 2D spirals with Turing-induced cores is reported.

  20. Speeding Up the Process of Modeling Temporary Structures in a Building Information Model Using Predefined Families

    E-Print Network [OSTI]

    Sabahi, Parsa

    2012-02-14T23:59:59.000Z

    It has been less than a decade that Building Information Modeling (BIM) has been used in construction industries. During this short period of time the application of this new modeling approach has increased significantly, but still the main users...

  1. Structure of phosphorus clusters using simulated annealing. II. P9, P1 0, P1 1, anions P2 4, P2 10, P3 11, and cations P+ n to n=11

    E-Print Network [OSTI]

    Structure of phosphorus clusters using simulated annealing. II. P9, P1 0, P1 1, anions P2 4, P2 10, P3 11, and cations P+ n to n=11 R. O. Jones and G. Seifert Citation: The Journal of Chemical Physics Jahn­Teller coupling in the tetrahedral 2 E ground states of P+ 4, As+ 4, and Sb+ 4 J. Chem. Phys. 93

  2. Optical and structural study of GaN nanowires grown by catalyst-free molecular beam epitaxy. II. Sub-band-gap luminescence and electron irradiation effects

    SciTech Connect (OSTI)

    Robins, Lawrence H.; Bertness, Kris A.; Barker, Joy M.; Sanford, Norman A.; Schlager, John B. [National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); National Institute of Standards and Technology, Boulder, Colorado 80305 (United States)

    2007-06-01T23:59:59.000Z

    GaN nanowires with diameters of 50-250 nm, grown by catalyst-free molecular beam epitaxy, were characterized by photoluminescence (PL) and cathodoluminescence (CL) spectroscopy at temperatures from 3 to 297 K. Both as-grown samples and dispersions of the nanowires onto other substrates were examined. The properties of the near-band-edge PL and CL spectra were discussed in Part I of this study by [Robins et al. [L. H. Robins, K. A. Bertness, J. M. Barker, N. A. Sanford, and J. B. Schlager, J. Appl. Phys. 101,113505 (2007)]. Spectral features below the band gap, and the effect of extended electron irradiation on the CL, are discussed in Part II. The observed sub-band-gap PL and CL peaks are identified as phonon replicas of the free-exciton transitions, or excitons bound to structural defects or surface states. The defect-related peaks in the nanowires are correlated with luminescence lines previously reported in GaN films, denoted the Y lines [M. A. Reshchikov and H. Morkoc, J. Appl. Phys. 97, 061301 (2005)]. The CL was partially quenched by electron beam irradiation for an extended time; the quenching was stronger for the free and shallow-donor-bound exciton peaks than for the defect-related peaks. The quenching appeared to saturate at high irradiation dose (with final intensity {approx_equal}30% of initial intensity) and was reversible on thermal cycling to room temperature. The electron irradiation-induced quenching of the CL is ascribed to charge injection and trapping phenomena.

  3. The structure of the free energy surface of coarse-grained off-lattice protein models

    E-Print Network [OSTI]

    E. Akturk; H. Arkin Olgar; T. Celik

    2007-03-23T23:59:59.000Z

    We have performed multicanonical simulations of hydrophobic-hydrophilic heteropolymers with a simple effective, coarse-grained off-lattice model to study the structure and the topology of the energy surface. The multicanonical method samples the whole rugged energy landscape, in particular the low-energy part, and enables one to better understand the critical behaviors and visualize the folding pathways of the considered protein model.

  4. Warm intermediate inflation in the Randall-Sundrum II model in the light of Planck 2015 and BICEP2 results: A general dissipative coefficient

    E-Print Network [OSTI]

    Herrera, Ramón; Olivares, Marco

    2015-01-01T23:59:59.000Z

    A warm inflationary Universe in the Randall-Sundrum II model during intermediate inflation is studied. For this purpose, we consider a general form for the dissipative coefficient $\\Gamma(T,\\phi)=C_{\\phi}\\,\\frac{T^{m}}{\\phi^{m-1}}$, and also analyze this inflationary model in the weak and strong dissipative regimes. We study the evolution of the Universe under the slow-roll approximation and find solutions to the full effective Friedmann equation in the brane-world framework. In order to constrain the parameters in our model, we consider the recent data from the BICEP2-Planck 2015 data together with the necessary condition for warm inflation $T>H$, and also the condition from the weak (or strong) dissipative regime.

  5. Warm intermediate inflation in the Randall-Sundrum II model in the light of Planck 2015 and BICEP2 results: A general dissipative coefficient

    E-Print Network [OSTI]

    Ramón Herrera; Nelson Videla; Marco Olivares

    2015-04-28T23:59:59.000Z

    A warm inflationary Universe in the Randall-Sundrum II model during intermediate inflation is studied. For this purpose, we consider a general form for the dissipative coefficient $\\Gamma(T,\\phi)=C_{\\phi}\\,\\frac{T^{m}}{\\phi^{m-1}}$, and also analyze this inflationary model in the weak and strong dissipative regimes. We study the evolution of the Universe under the slow-roll approximation and find solutions to the full effective Friedmann equation in the brane-world framework. In order to constrain the parameters in our model, we consider the recent data from the BICEP2-Planck 2015 data together with the necessary condition for warm inflation $T>H$, and also the condition from the weak (or strong) dissipative regime.

  6. Inference of the Structural Credit Risk Model Yuxi Li, Li Cheng and Dale Schuurmans

    E-Print Network [OSTI]

    Schuurmans, Dale

    , which sits at the very heart of the structural credit risk model, causes great difficulty when in. Take the sub- prime mortgage crisis as an example where a failure in credit risk assessment has played a critical role in precipitating a world wide financial crisis that has profoundly affected the global

  7. New Structural Model for Multicomponent Pile Cross Sections under Axial Load

    E-Print Network [OSTI]

    Horvath, John S.

    New Structural Model for Multicomponent Pile Cross Sections under Axial Load John S. Horvath, Ph.D., P.E., M.ASCE1 Abstract: Piles composed of more than one material in their cross section have been used for more than 100 years. Originally this was limited to driven steel shell or pipe piles filled

  8. Hybrid Car-Parrinello/Molecular Mechanics Modelling of Transition Metal Complexes: Structure, Dynamics and Reactivity

    E-Print Network [OSTI]

    Guidoni, Leonardo

    Hybrid Car-Parrinello/Molecular Mechanics Modelling of Transition Metal Complexes: Structure). We have recently developed a QM/MM extension of a Car-Parrinello scheme [5]. These hybrid Car functional theory embedded in a classical force field description. The power of such a combined Car

  9. Predicting Protein Folds with Structural Repeats Using a Chain Graph Model

    E-Print Network [OSTI]

    Xing, Eric P.

    Predicting Protein Folds with Structural Repeats Using a Chain Graph Model Yan Liu yanliu, Carnegie Mellon University, Pittsburgh, PA 15213 USA Abstract Protein fold recognition is a key step to to accurately identify protein folds aris- ing from typical spatial arrangements of well-defined secondary

  10. Structuring Measurements for Modeling and the Deployment of Industrial Wireless Networks

    E-Print Network [OSTI]

    Zilic, Zeljko

    . Replacing wired units with wireless sensor network (WSN) nodes offers more flexibility, and ultimately coverage during its deployment. Wireless networking devices are inherently power-limited, which limits1 Structuring Measurements for Modeling and the Deployment of Industrial Wireless Networks Rong

  11. A STRUCTURAL MODEL FOR ELECTRICITY PRICES RENE CARMONA, MICHAEL COULON, AND DANIEL SCHWARZ

    E-Print Network [OSTI]

    Carmona, Rene

    A STRUCTURAL MODEL FOR ELECTRICITY PRICES RENE CARMONA, MICHAEL COULON, AND DANIEL SCHWARZ Abstract pricing in electricity markets, thus extending the growing branch of liter- ature which describes power prices for electricity. We capture both the heavy-tailed nature of spot prices and the complex dependence

  12. Modeling electronic structure and transport properties of graphene with resonant scattering centers

    E-Print Network [OSTI]

    Modeling electronic structure and transport properties of graphene with resonant scattering centers present a detailed numerical study of the electronic properties of single-layer graphene with resonant and transport properties of functionalized graphene in a broad range of concentration of impurities from

  13. FINITE WAVELET DOMAIN METHOD FOR EFFICIENT MODELING OF LAMB WAVE BASED STRUCTURAL HEALTH MONITORING

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    FINITE WAVELET DOMAIN METHOD FOR EFFICIENT MODELING OF LAMB WAVE BASED STRUCTURAL HEALTH MONITORING element exploits the advantages of wavelets for the spatial discretization of the displacement field : Wavelet-based Finite Element, Transient Response. 1 INTRODUCTION The dynamic transient response and wave

  14. On the Modeling of Piezoelectric Wafer Active Sensor Impedance Analysis for Structural Health Monitoring

    E-Print Network [OSTI]

    Giurgiutiu, Victor

    damage assessment, and are considered as a new non-destructive evaluation method. The in-situ impedance of experimental results obtained from previous work. The real part of the measured PWAS impedance presents twoOn the Modeling of Piezoelectric Wafer Active Sensor Impedance Analysis for Structural Health

  15. On the Phase Structure of the Schwinger Model with Wilson Fermions

    E-Print Network [OSTI]

    H. Gausterer; C. B. Lang

    1993-11-19T23:59:59.000Z

    We study the phase structure of the massive one flavour lattice Schwinger model on the basis of the finite size scaling behaviour of the partition function zeroes. At $\\beta = 0$ we observe and discuss a possible discrepancy with results obtained by a different method.

  16. Collinearity in Linear Structural Models of Market Power Jeffrey M. Perloff*

    E-Print Network [OSTI]

    Perloff, Jeffrey M.

    if the marginal cost and demand equations are linear. Key Words: collinearity, estimation, market power. JEL that the marginal cost curve is cMC = + w+ r + Q + , (1) where w is the wage, r is the rental rate on capital, Q The well-known structural model used to estimate market power suffers from a severe collinearity problem

  17. CHANGE OF STRUCTURE IN FINANCIAL TIME SERIES, LONG RANGE DEPENDENCE AND THE GARCH MODEL

    E-Print Network [OSTI]

    Mikosch, Thomas

    CHANGE OF STRUCTURE IN FINANCIAL TIME SERIES, LONG RANGE DEPENDENCE AND THE GARCH MODEL THOMAS having as limit a Gaussian #12;eld. In the case of GARCH(p; q) processes a statistic closely related limit theorem for this statistic under the hypothesis of a GARCH(p; q) sequence with a #12;nite 4th

  18. Modelling Bulk Density According to Structure Development: Toward an Indicator of Microstructure Development in Ferralsols.

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Modelling Bulk Density According to Structure Development: Toward an Indicator of Microstructure the microaggregates with a small contribution of large pores resulting from root development and macrofaunal activity.25 g cm-3 among the 108 samples studied. Visual assessment of BESI showed that soil material

  19. STRUCTURAL DAMAGE CLASSIFICATION COMPARISON USING SUPPORT VECTOR MACHINE AND BAYESIAN MODEL SELECTION

    E-Print Network [OSTI]

    Boyer, Edmond

    STRUCTURAL DAMAGE CLASSIFICATION COMPARISON USING SUPPORT VECTOR MACHINE AND BAYESIAN MODEL, CA, USA 92093-0085 mdtodd@ucsd.edu ABSTRACT Since all damage identification strategies inevitably in the decision-making process of damage detection, classification, and prognosis, which employs training data (or

  20. Post-glacial biogeography of trembling aspen inferred from genetic structure, genetic diversity, and habitat models

    E-Print Network [OSTI]

    Hamann, Andreas

    1 Post-glacial biogeography of trembling aspen inferred from genetic structure, genetic diversity title: Aspen post-glacial migration history Keywords: Populus tremuloides, species distribution models, phylogeography, genetic diversity, glacial refugia, aspen clones, Pando Length: Abstract: 250 words Main text

  1. Time-dependent model for diluted magnetic semiconductors including band structure and confinement effects

    E-Print Network [OSTI]

    Boyer, Edmond

    Time-dependent model for diluted magnetic semiconductors including band structure and confinement dynamics in confined diluted magnetic semiconductors induced by laser. The hole-spin relaxation process light-induced magnetization dynamics in ferro- magnetic films and in diluted magnetic semiconductors DMS

  2. Discrimination of Near-Native Protein Structures From Misfolded Models by Empirical Free Energy Functions

    E-Print Network [OSTI]

    Vajda, Sandor

    Discrimination of Near-Native Protein Structures From Misfolded Models by Empirical Free Energy University, Boston, Massachusetts ABSTRACT Free energy potentials, combining molecular mechanics of discrimination that in- clude the correlation coefficient between RMSD and free energy, and a new measure labeled

  3. Modeling the 19982003 summer circulation and thermal structure in Lake Michigan

    E-Print Network [OSTI]

    Modeling the 1998­2003 summer circulation and thermal structure in Lake Michigan Dmitry Beletsky,1 to Lake Michigan on a 2 km grid for 6 consecutive years to study interannual variability of summer. Circulation in southern Lake Michigan appears to be more variable than circulation in northern Lake Michigan

  4. Modeling water column structure and suspended particulate matter on the Middle Atlantic continental shelf

    E-Print Network [OSTI]

    Chang, Grace C.

    that contributed to the evolution of observed thermal structure and resuspension of particulate matter during resuspension processes. It is concluded that wave-current bottom shear stress was clearly the most important process for sediment resuspension during and following both hurricanes. Discrepancies between modeled

  5. Statistical effects of dose deposition in track-structure modelling of radiobiology efficiency

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    : Track-structure model, cell survival, high LET, ions, theory, simulation Abstract: Ion-induced cell. In this paper we focus on two approaches developed and extensively used to predict cell survival in response dose deposition statistics. A INTRODUCTION Cell survival to ionizing radiations is a relevant

  6. Modeling infant learning via symbolic structural alignment Sven E. Kuehne (skuehne@ils.nwu.edu)

    E-Print Network [OSTI]

    Forbus, Kenneth D.

    Modeling infant learning via symbolic structural alignment Sven E. Kuehne (skuehne@ils.nwu.edu) Department of Computer Science, Northwestern University 1890 Maple Avenue, Evanston, IL 60201 USA Dedre, IL 60201 USA Kenneth D. Forbus (forbus@ils.nwu.edu) Department of Computer Science, Northwestern

  7. Optimization of the structural Gabor functions in a homogeneous velocity model

    E-Print Network [OSTI]

    Cerveny, Vlastislav

    Optimization of the structural Gabor functions in a homogeneous velocity model for a zero-o#11;set functions should be optimized, and the Gabor functions should form a frame. We present a simple attempt functions and the space{wavenumber lattice of their central points are optimized analytically

  8. Using Stochastically Generated Subcolumns to Represent Cloud Structure in a Large-Scale Model

    E-Print Network [OSTI]

    Robert, Pincus

    condensate amount and cloud fraction, has about the same effect on radiative fluxes as does the ad hoc tuning for representing cloud structure in instantaneous calculations and long-term integrations. Shortwave radiation accounting for this effect in the operational radiation scheme. Long simulations with the new model

  9. Experiments to Populate and Validate a Processing Model for Polyurethane Foam: Additional Data for Structural Foams.

    SciTech Connect (OSTI)

    Rao, Rekha R.; Celina, Mathias C.; Giron, Nicholas Henry; Long, Kevin Nicholas; Russick, Edward M.

    2015-01-01T23:59:59.000Z

    We are developing computational models to help understand manufacturing processes, final properties and aging of structural foam, polyurethane PMDI. Th e resulting model predictions of density and cure gradients from the manufacturing process will be used as input to foam heat transfer and mechanical models. BKC 44306 PMDI-10 and BKC 44307 PMDI-18 are the most prevalent foams used in structural parts. Experiments needed to parameterize models of the reaction kinetics and the equations of motion during the foam blowing stages were described for BKC 44306 PMDI-10 in the first of this report series (Mondy et al. 2014). BKC 44307 PMDI-18 is a new foam that will be used to make relatively dense structural supports via over packing. It uses a different catalyst than those in the BKC 44306 family of foams; hence, we expect that the reaction kineti cs models must be modified. Here we detail the experiments needed to characteriz e the reaction kinetics of BKC 44307 PMDI-18 and suggest parameters for the model based on these experiments. In additi on, the second part of this report describes data taken to provide input to the preliminary nonlinear visco elastic structural response model developed for BKC 44306 PMDI-10 foam. We show that the standard cu re schedule used by KCP does not fully cure the material, and, upon temperature elevation above 150 o C, oxidation or decomposition reactions occur that alter the composition of the foam. These findings suggest that achieving a fully cured foam part with this formulation may be not be possible through therma l curing. As such, visco elastic characterization procedures developed for curing thermosets can provide only approximate material properties, since the state of the material continuously evolves during tests.

  10. Constraining the reservoir model of an injected CO2 plume with crosswell CASSM at the Frio-II brine plot

    E-Print Network [OSTI]

    Daley, T.M.

    2011-01-01T23:59:59.000Z

    CASSM monitoring data with the reservoir model to obtain anof CASSM data and updating the Reservoir Model Using thedata and, when the match is unsatisfactory, the initial reservoir

  11. Testing the Effectiveness of Various Commonly Used Fit Indices for Detecting Misspecifications in Multilevel Structure Equation Models

    E-Print Network [OSTI]

    Hsu, Hsien-Yuan

    2011-02-22T23:59:59.000Z

    Two Monte Carlo studies were conducted to investigate the sensitivity of fit indices in detecting model misspecification in multilevel structural equation models (MSEM) with normally distributed or dichotomous outcome variables separately under...

  12. Hybrid Protein Model (HPM) : a method to compact protein 3D-structure information and physicochemical properties

    E-Print Network [OSTI]

    Boyer, Edmond

    Hybrid Protein Model (HPM) : a method to compact protein 3D-structure information of the Seventh International Symposium on String Processing Information R #12;Hybrid Protein Model (HPM

  13. Time series of high resolution photospheric spectra in a quiet region of the Sun. II. Analysis of the variation of physical quantities of granular structures

    E-Print Network [OSTI]

    Puschmann, K G; Vazquez, M; Bonet, J A; Hanslmeier, A; 10.1051/0004-6361:20047193

    2012-01-01T23:59:59.000Z

    From the inversion of a time series of high resolution slit spectrograms obtained from the quiet sun, the spatial and temporal distribution of the thermodynamical quantities and the vertical flow velocity is derived as a function of logarithmic optical depth and geometrical height. Spatial coherence and phase shift analyzes between temperature and vertical velocity depict the height variation of these physical quantities for structures of different size. An average granular cell model is presented, showing the granule-intergranular lane stratification of temperature, vertical velocity, gas pressure and density as a function of logarithmic optical depth and geometrical height. Studies of a specific small and a specific large granular cell complement these results. A strong decay of the temperature fluctuations with increasing height together with a less efficient penetration of smaller cells is revealed. The T -T coherence at all granular scales is broken already at log tau =-1 or z~170 km. At the layers beyon...

  14. Towards approximate models of coulomb frictional moments in: I) revolute pin joints and II) spherical-socket ball joints

    E-Print Network [OSTI]

    -body contact configuration with various degrees of clearance. The proposed models can be used in the dynamic modelling and control of multi-body systems in frictional contact. Key words: Approximate frictional models and dynamic cases. The motivation for accurate modeling of frictional moments in these types of joints

  15. Year GBClass Make Model M/M/Specs EmisStd City Hiwy Green Score 2014 01_TS AUDI TT ROADSTER QUATTRO 2.0L 4, auto Awd [P] ULEV II / Bin 5 22 31 42

    E-Print Network [OSTI]

    Derisi, Joseph

    Year GBClass Make Model M/M/Specs EmisStd City Hiwy Green Score 2014 01_TS MERCEDES-BENZ SMART FORTWO (CONVERTIBLE) 1.0L 3, auto [P] ULEV II / Bin 5 34 38 53 2014 01_TS MERCEDES-BENZ SMART FORTWO (COUPE) 1.0L 3, auto [P] ULEV II / Bin 5 34 38 53 2014 01_TS MERCEDES

  16. Discrete Quantum Gravity: II. Simplicial complexes, irreps of SL(2,C), and a Lorentz invariant weight in a state sum model

    E-Print Network [OSTI]

    P. Kramer; M. Lorente

    2008-04-30T23:59:59.000Z

    In part I of [1] we have developed the tensor and spin representation of SO(4) in order to apply it to the simplicial decomposition of the Barrett-Crane model. We attach to each face of a triangle the spherical function constructed from the Dolginov-Biedenharn function. In part II we apply the same technique to the Lorentz invariant state sum model. We need three new ingredients: the classification of the edges and the corresponding subspaces that arises in the simplicial decomposition, the irreps of SL(2,C) and its isomorphism to the bivectors appearing in the 4-simplices, the need of a zonal spherical function from the intertwining condition of the tensor product for the simple representations attached to the faces of the simplicial decomposition.

  17. An overview of APECOSM, a spatialized mass balanced ``Apex Predators ECOSystem Model" to study physiologically structured tuna population dynamics

    E-Print Network [OSTI]

    Hawai'i at Manoa, University of

    physiologically structured tuna population dynamics in their ecosystem Olivier Maury * IRD (Institut de Recherche by the organisms are modelled according to the DEB (dynamic energy budget) theory (Kooijmann, 2000) and the size-structured- mental variability and fishing on the structure and dynamics of pe- lagic ecosystems. APECOSM uses a size

  18. Crystal Structure of a Luteoviral RNA Pseudoknot and Model for a Minimal Ribosomal Frameshifting Motif

    SciTech Connect (OSTI)

    Pallan, Pradeep S.; Marshall, William S.; Harp, Joel; Jewett III, Frederic C.; Wawrzak, Zdzislaw; Brown II, Bernard A.; Rich, Alexander; Egli, Martin (MIT); (Wake Forest); (Dharmacon); (Vanderbilt)

    2010-03-08T23:59:59.000Z

    To understand the role of structural elements of RNA pseudoknots in controlling the extent of -1-type ribosomal frameshifting, we determined the crystal structure of a high-efficiency frameshifting mutant of the pseudoknot from potato leaf roll virus (PLRV). Correlations of the structure with available in vitro frameshifting data for PLRV pseudoknot mutants implicate sequence and length of a stem-loop linker as modulators of frameshifting efficiency. Although the sequences and overall structures of the RNA pseudoknots from PLRV and beet western yellow virus (BWYV) are similar, nucleotide deletions in the linker and adjacent minor groove loop abolish frameshifting only with the latter. Conversely, mutant PLRV pseudoknots with up to four nucleotides deleted in this region exhibit nearly wild-type frameshifting efficiencies. The crystal structure helps rationalize the different tolerances for deletions in the PLRV and BWYV RNAs, and we have used it to build a three-dimensional model of the PRLV pseudoknot with a four-nucleotide deletion. The resulting structure defines a minimal RNA pseudoknot motif composed of 22 nucleotides capable of stimulating -1-type ribosomal frameshifts.

  19. A model for structural response to hydrogen combustion loads in severe accidents

    SciTech Connect (OSTI)

    Breitung, W.; Redlinger, R. [Forschungszentrum Karlsruhe (Germany). Institut fuer Neutronenphysik und Reaktortechnik

    1995-09-01T23:59:59.000Z

    The response of structures to different pressure histories from hydrogen combustion is analyzed using the model of a linear undamped oscillator. The effective static pressures from a slow deflagration-to-detonation transition (DDT) and a stable detonation are calculated as functions of oscillator frequency. The response of components with a low natural frequency, such as the outermost shell in a large dry containment, is governed by the long-term pressure after combustion. Detonation peak pressure and impulse are not important. For structures with low frequencies, fast flames have a damage potential very similar to detonations. For the investigated pressure loads, the normally reflected detonation provides the bounding effective static pressure for oscillators up to 500 Hz. Fully confined DDT events can exceed the detonation load near the transition location for structural frequencies about {approximately}40 Hz.

  20. Fractal large-scale structure from a stochastic scaling law model

    E-Print Network [OSTI]

    S. Capozziello; S. Funkhouser

    2009-03-27T23:59:59.000Z

    A stochastic model relating the parameters of astrophysical structures to the parameters of their granular components is applied to the formation of hierarchical, large-scale structures from galaxies assumed as point-like objects. If the density profile of galaxies on a given scale is described by a power law then the stochastic model leads naturally to a mass function that is proportional to the square of the distance from an occupied point, which corresponds to a two-point correlation function that is inversely proportional to the distance. This result is consistent with observations indicating that galaxies are, on the largest scales, characterized by a fractal distribution with a dimension of order 2 and well-fit with transition to homogeneity at cosmological scales.

  1. Numerical modeling of roll structures in mesoscale vortexes over the Black Sea

    E-Print Network [OSTI]

    Iarova, D A

    2014-01-01T23:59:59.000Z

    This paper is a case study of horizontal atmospheric rolls that formed over the Black Sea on 16 August 2007. The rolls were discovered in WRF modeling results for a mesoscale cyclone that originated over the sea on 15 August 2007. The roll formation mechanisms, such as Rayleigh-Benard convective instability, dynamic instability, advection and stretching of vertical velocity field inhomogeneities, are considered. It is shown that indeed convective instability played an important role in the roll formation but dynamic instability did not occur. In order to distinguish other possible mechanisms of the roll formation numerical experiments were performed. In these experiments sea surface temperature in the initial conditions was decreased in order to prevent convective instability. Even though convective instability was suppressed roll-like structures still appeared in the modeling results, although their height and circulation velocity were smaller than in the control run. It was found that these structures were ...

  2. Wind turbine control systems: Dynamic model development using system identification and the fast structural dynamics code

    SciTech Connect (OSTI)

    Stuart, J.G.; Wright, A.D.; Butterfield, C.P.

    1996-10-01T23:59:59.000Z

    Mitigating the effects of damaging wind turbine loads and responses extends the lifetime of the turbine and, consequently, reduces the associated Cost of Energy (COE). Active control of aerodynamic devices is one option for achieving wind turbine load mitigation. Generally speaking, control system design and analysis requires a reasonable dynamic model of {open_quotes}plant,{close_quotes} (i.e., the system being controlled). This paper extends the wind turbine aileron control research, previously conducted at the National Wind Technology Center (NWTC), by presenting a more detailed development of the wind turbine dynamic model. In prior research, active aileron control designs were implemented in an existing wind turbine structural dynamics code, FAST (Fatigue, Aerodynamics, Structures, and Turbulence). In this paper, the FAST code is used, in conjunction with system identification, to generate a wind turbine dynamic model for use in active aileron control system design. The FAST code is described and an overview of the system identification technique is presented. An aileron control case study is used to demonstrate this modeling technique. The results of the case study are then used to propose ideas for generalizing this technique for creating dynamic models for other wind turbine control applications.

  3. Essays on Regression Spline Structural Nonparametric Stochastic Production Frontier Estimation and Inefficiency Analysis Models

    E-Print Network [OSTI]

    Li, Ke

    2012-02-14T23:59:59.000Z

    of the requirements for the degree of DOCTOR OF PHILOSOPHY December 2010 Major Subject: Agricultural Economics Essays on Regression Spline Structural Nonparametric Stochastic Production Frontier Estimation and Ine ciency Analysis Models Copyright 2010 Ke Li... of the requirements for the degree of DOCTOR OF PHILOSOPHY Approved by: Chair of Committee, Ximing Wu Committee Members, David Bessler H. Alan Love Qi Li Head of Department, John P. Nichols December 2010 Major Subject: Agricultural Economics iii ABSTRACT...

  4. Rapid Loss Modeling of Death and Downtime Caused By Earthquake Induced Damage to Structures

    E-Print Network [OSTI]

    Ghorawat, Sandeep

    2012-07-16T23:59:59.000Z

    losses produced by large, damaging earthquakes. This was when California Office of Emergency Services started thinking of some rational basis for state rescue and recovery operations for future. Kennedy et al. (1980) studied probabilistic seismic... (1999) developed a relationship between seismic demands on structures in terms of ground motion parameters which is part of the second step of the performance based design model. They worked on probabilistic seismic demand analysis of nonlinear...

  5. Optimal Harvesting in an Age-Structured Predator-Prey Model

    SciTech Connect (OSTI)

    Fister, K. Renee [Department of Mathematics and Statistics, Murray State University, Murray, KY 42071-3341 (United States)], E-mail: renee.fister@murraystate.edu; Lenhart, Suzanne [Department of Mathematics, University of Tennessee, Knoxville, TN 37996-1300 (United States) and Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6016 (United States)], E-mail: lenhart@math.utk.edu

    2006-06-15T23:59:59.000Z

    We investigate optimal harvesting control in a predator-prey model in which the prey population is represented by a first-order partial differential equation with age-structure and the predator population is represented by an ordinary differential equation in time. The controls are the proportions of the populations to be harvested, and the objective functional represents the profit from harvesting. The existence and uniqueness of the optimal control pair are established.

  6. A Type II Radio Burst without a Coronal Mass Ejection

    E-Print Network [OSTI]

    Su, W; Ding, M D; Chen, P F; Sun, J Q

    2015-01-01T23:59:59.000Z

    Type II radio bursts are thought to be a signature of coronal shocks. In this paper, we analyze a short-lived type II burst that started at 07:40 UT on 2011 February 28. By carefully checking white-light images, we find that the type II radio burst is not accompanied by a coronal mass ejection, only with a C2.4 class flare and narrow jet. However, in the extreme-ultraviolet (EUV) images provided by the Atmospheric Imaging Assembly (AIA) on board the Solar Dynamics Observatory (SDO), we find a wave-like structure that propagated at a speed of $\\sim$ 600 km s$^{-1}$ during the burst. The relationship between the type II radio burst and the wave-like structure is in particular explored. For this purpose, we first derive the density distribution under the wave by the differential emission measure (DEM) method, which is used to restrict the empirical density model. We then use the restricted density model to invert the speed of the shock that produces the observed frequency drift rate in the dynamic spectrum. The ...

  7. An examination of the construct validity of predictors of productive and counterproductive job performance using structural equation modeling

    E-Print Network [OSTI]

    Tice, Julie Anne Goodwin

    1996-01-01T23:59:59.000Z

    MODELING by JULIE ANNE GOODWiN TICE Submitted to the Office of Graduate Studies of Texas AkM University in partial fulfillment of the requirements for the degree of MASTER OF SCIENCE Approved to style and conte t by: Judith M. Col ' (Chair... Performance Using Structural Equation Modeling. (December 1996) Julie Anne Goodwm Tice, B. A. , Northwestern University Chair of Advisory Committee: Dr. Judith M. Collins This research used structural equation modeling to test the construct validity...

  8. The Spatial Clustering of ROSAT All-Sky Survey AGNs II. Halo Occupation Distribution Modeling of the Cross Correlation Function

    E-Print Network [OSTI]

    Miyaji, Takamitsu; Coil, Alison L; Aceves, Hector

    2010-01-01T23:59:59.000Z

    This is the second paper of a series that reports on our investigation of the clustering properties of AGNs in the ROSAT All-Sky Survey (RASS) through cross-correlation functions (CCFs) with Sloan Digital Sky Survey (SDSS) galaxies. In this paper, we apply the Halo Occupation Distribution (HOD) model to the CCFs between the RASS Broad-line AGNs with SDSS Luminous Red Galaxies (LRGs) in the redshift range 0.16modeling approach, we use the known HOD of LRGs and constrain the HOD of the AGNs by a model fit to the CCF. For the first time, we are able to go beyond quoting merely a `typical' AGN host halo mass, M_h, and model the full distribution function of AGN host dark matter halos. In addition, we are able to determine the large-scale bias and the mean M_h more accurately. We explore the behavior of three simple HOD models. Our first model (Model A) is a truncated power-law HOD model in which all AGNs are satellites. With this model, we find an upper lim...

  9. Tidal Downsizing Model. III. Planets from sub-Earths to Brown Dwarfs: structure and metallicity preferences

    E-Print Network [OSTI]

    Nayakshin, Sergei

    2015-01-01T23:59:59.000Z

    We present improved population synthesis calculations in the context of the Tidal Downsizing (TD) hypothesis for planet formation. Our models provide natural explanations and/or quantitative match to exoplanet observations in the following categories: (i) most abundant planets being super-Earths; (ii) cores more massive than $\\sim 5-15 M_\\oplus$ are enveloped by massive metal-rich atmospheres; (iii) the frequency of occurrence of close-in gas giant planets correlates strongly with metallicity of the host star; (iv) no such correlation is found for sub-Neptune planets; (v) presence of massive cores in giant planets; (vi) the composition of gas giant planets is over-abundant in metals compared to their host stars; (vii) this over-abundance decreases with planet's mass, as observed; (viii) a deep valley in the planet mass function between masses of $\\sim 10-20 M_\\oplus$ and $\\sim 100 M_\\oplus$. We provide a number of observational predictions distinguishing the model from Core Accretion: (a) composition of the m...

  10. Phase II Corrective Action Investigation Plan for Corrective Action Units 101 and 102: Central and Western Pahute Mesa, Nevada Test Site, Nye County, Nevada, Revision 2

    SciTech Connect (OSTI)

    Jeff Wurtz

    2009-07-01T23:59:59.000Z

    This Phase II CAIP describes new work needed to potentially reduce uncertainty and achieve increased confidence in modeling results. This work includes data collection and data analysis to refine model assumptions, improve conceptual models of flow and transport in a complex hydrogeologic setting, and reduce parametric and structural uncertainty. The work was prioritized based on the potential to reduce model uncertainty and achieve an acceptable level of confidence in the model predictions for flow and transport, leading to model acceptance by NDEP and completion of the Phase II CAI stage of the UGTA strategy.

  11. Mapping thin resistors and hydrocarbons with marine EM methods, Part II --Modeling and analysis in 3D

    E-Print Network [OSTI]

    Constable, Steve

    , subseabed re- sistive disk in response to a deep-towed, time-harmonic electric dipole antenna are investigated using a newly developed 3D Car- tesian, staggered-grid modeling algorithm. We demonstrate kernels those regions of the 3D model which have the greatest effect on seafloor electric fields

  12. Modeling of AAR affected structures using the GROW3D FEA program

    SciTech Connect (OSTI)

    Curtis, D.D. [Acres International Limited, Niagara Falls, Ontario (Canada)

    1995-12-31T23:59:59.000Z

    The objective of this paper is to present a rational and practical methodology for finite element stress analysis of AAR affected structures. The methodology is presented using case history studies which illustrate the practical application of the GROW3D program. GROW3D uses an anisotropic expansion strain function and concrete properties which simulates the following key characteristics of AAR affected concrete (1) concrete growth expansion rates dependent on the stress vectors at each point; (2) concrete growth rate variation due to changes in moisture content and temperature; and (3) time-dependent, enhanced creep behavior. GROW3D has been applied to several hydropower structures and case histories from the Mactaquac Generating Station are presented herein. Mactaquac is selected because extensive instrumentation data before and after remedial measures have been used to calibrate and test the model. The results of analyses of three different structures are given, i.e., the intake, diversion sluiceway and powerhouse. The analysis results are used to identify potential structural problems and the need and timing of remedial measures. The output from GROW3D includes displacement rates, total displacements, global stresses and local factors of safety. The local factors of safety (or strength to stress ratios) are computed for several modes of failure including crushing, cracking, shear and sliding on horizontal construction joints. The analysis results are compared with field measurements which are taken before and after slot cutting. The effects of including the above-mentioned characteristics and other modeling assumptions on the computed results is discussed herein. Finally, a brief discussion on the recent enhancements to the model is given. These enhancements include the implementation of a more rigorous treatment of concrete creep effects.

  13. First Structure Formation: I. Primordial Star Forming Regions in hierarchical models

    E-Print Network [OSTI]

    Tom Abel; Peter Anninos; Michael L. Norman; Yu Zhang

    1997-05-17T23:59:59.000Z

    We investigate the possibility of very early formation of primordial star clusters from high-\\sigma perturbations in cold dark matter dominated structure formation scenarios. For this we have developed a powerful 2-level hierarchical cosmological code with a realistic and robust treatment of multi-species primordial gas chemistry, paying special attention to the formation and destruction of hydrogen molecules, non-equilibrium ionization, and cooling processes. We performed 3-D simulations at small scales and at high redshifts and find that, analogous to simulations of large scale structure, a complex system of filaments, sheets, and spherical knots at the intersections of filaments form. On the mass scales covered by our simulations (5x10^5 - 1x10^9\\Ms) that collapse at redshifts z>25, we find that only at the spherical knots can enough H2 be formed (n_{H_2}/n_H > 5x10^-4) to cool the gas appreciably. Quantities such as the time dependence of the formation of H2 molecules, the final H2 fraction, and central densities from the simulations are compared to the theoretical predictions of Abel (1995) and Tegmark et al. (1997) and found to agree remarkably well. Comparing the 3-D results to an isobaric collapse model we further discuss the possible implications of the extensive merging of small structure that is inherent in hierarchical models. Typically only 5-8% percent of the total baryonic mass in the collapsing structures is found to cool significanlty. Assuming the Padoan (1995) model for star formation our results would predict the first stellar systems to be as small as ~30\\Ms. Some implications for primordial globular cluster formation scenarios are also discussed.

  14. Combined Modeling of Acceleration, Transport, and Hydrodynamic Response in Solar Flares. II. Inclusion of Radiative Transfer with RADYN

    E-Print Network [OSTI]

    da Costa, Fatima Rubio; Petrosian, Vahe'; Carlsson, Mats

    2015-01-01T23:59:59.000Z

    Solar flares involve complex processes that are coupled together and span a wide range of temporal, spatial, and energy scales. Modeling such processes self-consistently has been a challenge in the past. Here we present such a model to simulate the coupling of high-energy particle kinetics with hydrodynamics of the atmospheric plasma. We combine the Stanford unified Fokker-Planck code that models particle acceleration, transport, and bremsstrahlung radiation with the RADYN hydrodynamic code that models the atmospheric response to collisional heating by non-thermal electrons through detailed radiative transfer calculations. We perform simulations using different injection electron spectra, including an {\\it ad hoc} power law and more realistic spectra predicted by the stochastic acceleration model due to turbulence or plasma waves. Surprisingly, stochastically accelerated electrons, even with energy flux $\\ll 10^{10}$ erg s$^{-1}$ cm$^{-2}$, cause "explosive" chromospheric evaporation and drive stronger up- an...

  15. Model atmospheres and X-ray spectra of iron-rich bursting neutron stars. II. Iron rich Comptonized Spectra

    E-Print Network [OSTI]

    A. Majczyna; J. Madej; P. C. Joss; A. Rozanska

    2004-12-28T23:59:59.000Z

    This paper presents the set of plane-parallel model atmosphere equations for a very hot neutron star (X-ray burst source). The model equations assume both hydrostatic and radiative equilibrium, and the equation of state of an ideal gas in local thermodynamic equilibrium (LTE). The equation of radiative transfer includes terms describing Compton scattering of photons on free electrons in fully relativistic thermal motion, for photon energies approaching m_e *c^2. Model equations take into account many bound-free and free-free energy-dependent opacities of hydrogen, helium, and the iron ions, and also a dozen bound-bound opacities for the highest ions of iron. We solve model equations by partial linearisation and the technique of variable Eddington factors. Large grid of H-He-Fe model atmospheres of X-ray burst sources has been computed for 10^7 neutron stars from observational data.

  16. A nonlocal model for fluid-structure interaction with applications in hydraulic fracturing

    E-Print Network [OSTI]

    Turner, Daniel Z

    2012-01-01T23:59:59.000Z

    Modeling important engineering problems related to flow-induced damage (in the context of hydraulic fracturing among others) depends critically on characterizing the interaction of porous media and interstitial fluid flow. This work presents a new formulation for incorporating the effects of pore pressure in a nonlocal representation of solid mechanics. The result is a framework for modeling fluid-structure interaction problems with the discontinuity capturing advantages of an integral based formulation. A number of numerical examples are used to show that the proposed formulation can be applied to measure the effect of leak-off during hydraulic fracturing as well as modeling consolidation of fluid saturated rock and surface subsidence caused by fluid extraction from a geologic reservoir. The formulation incorporates the effect of pore pressure in the constitutive description of the porous material in a way that is appropriate for nonlinear materials, easily implemented in existing codes, straightforward in i...

  17. Modeling laser-induced periodic surface structures: Finite-difference time-domain feedback simulations

    SciTech Connect (OSTI)

    Skolski, J. Z. P., E-mail: j.z.p.skolski@utwente.nl; Vincenc Obona, J. [Materials innovation institute M2i, Faculty of Engineering Technology, Chair of Applied Laser Technology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Römer, G. R. B. E.; Huis in 't Veld, A. J. [Faculty of Engineering Technology, Chair of Applied Laser Technology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands)

    2014-03-14T23:59:59.000Z

    A model predicting the formation of laser-induced periodic surface structures (LIPSSs) is presented. That is, the finite-difference time domain method is used to study the interaction of electromagnetic fields with rough surfaces. In this approach, the rough surface is modified by “ablation after each laser pulse,” according to the absorbed energy profile, in order to account for inter-pulse feedback mechanisms. LIPSSs with a periodicity significantly smaller than the laser wavelength are found to “grow” either parallel or orthogonal to the laser polarization. The change in orientation and periodicity follow from the model. LIPSSs with a periodicity larger than the wavelength of the laser radiation and complex superimposed LIPSS patterns are also predicted by the model.

  18. Validation of New Process Models for Large Injection-Molded Long-Fiber Thermoplastic Composite Structures

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Jin, Xiaoshi; Wang, Jin; Kunc, Vlastimil; Tucker III, Charles L.

    2012-02-23T23:59:59.000Z

    This report describes the work conducted under the CRADA Nr. PNNL/304 between Battelle PNNL and Autodesk whose objective is to validate the new process models developed under the previous CRADA for large injection-molded LFT composite structures. To this end, the ARD-RSC and fiber length attrition models implemented in the 2013 research version of Moldflow was used to simulate the injection molding of 600-mm x 600-mm x 3-mm plaques from 40% glass/polypropylene (Dow Chemical DLGF9411.00) and 40% glass/polyamide 6,6 (DuPont Zytel 75LG40HSL BK031) materials. The injection molding was performed by Injection Technologies, Inc. at Windsor, Ontario (under a subcontract by Oak Ridge National Laboratory, ORNL) using the mold offered by the Automotive Composite Consortium (ACC). Two fill speeds under the same back pressure were used to produce plaques under slow-fill and fast-fill conditions. Also, two gating options were used to achieve the following desired flow patterns: flows in edge-gated plaques and in center-gated plaques. After molding, ORNL performed measurements of fiber orientation and length distributions for process model validations. The structure of this report is as follows. After the Introduction (Section 1), Section 2 provides a summary of the ARD-RSC and fiber length attrition models. A summary of model implementations in the latest research version of Moldflow is given in Section 3. Section 4 provides the key processing conditions and parameters for molding of the ACC plaques. The validations of the ARD-RSC and fiber length attrition models are presented and discussed in Section 5. The conclusions will be drawn in Section 6.

  19. Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.

    SciTech Connect (OSTI)

    Fang, Bin; Fu, Guoxing; Agniswamy, Johnson; Harrison, Robert W.; Weber, Irene T.; (GSU)

    2009-03-31T23:59:59.000Z

    Caspase-3 recognition of various P4 residues in its numerous protein substrates was investigated by crystallography, kinetics, and calculations on model complexes. Asp is the most frequent P4 residue in peptide substrates, although a wide variety of P4 residues are found in the cellular proteins cleaved by caspase-3. The binding of peptidic inhibitors with hydrophobic P4 residues, or no P4 residue, is illustrated by crystal structures of caspase-3 complexes with Ac-IEPD-Cho, Ac-WEHD-Cho, Ac-YVAD-Cho, and Boc-D(OMe)-Fmk at resolutions of 1.9-2.6 {angstrom}. The P4 residues formed favorable hydrophobic interactions in two separate hydrophobic regions of the binding site. The side chains of P4 Ile and Tyr form hydrophobic interactions with caspase-3 residues Trp206 and Trp214 within a non-polar pocket of the S4 subsite, while P4 Trp interacts with Phe250 and Phe252 that can also form the S5 subsite. These interactions of hydrophobic P4 residues are distinct from those for polar P4 Asp, which indicates the adaptability of caspase-3 for binding diverse P4 residues. The predicted trends in peptide binding from molecular models had high correlation with experimental values for peptide inhibitors. Analysis of structural models for the binding of 20 different amino acids at P4 in the aldehyde peptide Ac-XEVD-Cho suggested that the majority of hydrophilic P4 residues interact with Phe250, while hydrophobic residues interact with Trp206, Phe250, and Trp214. Overall, the S4 pocket of caspase-3 exhibits flexible adaptation for different residues and the new structures and models, especially for hydrophobic P4 residues, will be helpful for the design of caspase-3 based drugs.

  20. SEISMIC RESPONSE PREDICTION OF NUPEC'S FIELD MODEL TESTS OF NPP STRUCTURES WITH ADJACENT BUILDING EFFECT.

    SciTech Connect (OSTI)

    XU,J.COSTANTINO,C.HOFMAYER,C.ALI,S.

    2004-03-04T23:59:59.000Z

    As part of a verification test program for seismic analysis computer codes for Nuclear Power Plant (NPP) structures, the Nuclear Power Engineering Corporation (NUPEC) of Japan has conducted a series of field model tests to address the dynamic cross interaction (DCI) effect on the seismic response of NPP structures built in close proximity to each other. The program provided field data to study the methodologies commonly associated with seismic analyses considering the DCI effect. As part of a collaborative program between the United States and Japan on seismic issues related to NPP applications, the U.S. Nuclear Regulatory Commission sponsored a program at Brookhaven National Laboratory (BNL) to perform independent seismic analyses which applied common analysis procedures to predict the building response to recorded earthquake events for the test models with DCI effect. In this study, two large-scale DCI test model configurations were analyzed: (1) twin reactor buildings in close proximity and (2) adjacent reactor and turbine buildings. This paper describes the NUPEC DCI test models, the BNL analysis using the SASSI 2000 program, and comparisons between the BNL analysis results and recorded field responses. To account for large variability in the soil properties, the conventional approach of computing seismic responses with the mean, mean plus and minus one-standard deviation soil profiles is adopted in the BNL analysis and the three sets of analysis results were used in the comparisons with the test data. A discussion is also provided in the paper to address (1) the capability of the analysis methods to capture the DCI effect, and (2) the conservatism of the practice for considering soil variability in seismic response analysis for adjacent NPP structures.

  1. Thermodynamics and Structural Properties of the High Density Gaussian Core Model

    E-Print Network [OSTI]

    Atsushi Ikeda; Kunimasa Miyazaki

    2011-07-20T23:59:59.000Z

    We numerically study thermodynamic and structural properties of the one-component Gaussian core model (GCM) at very high densities. The solid-fluid phase boundary is carefully determined. We find that the density dependence of both the freezing and melting temperatures obey the asymptotic relation, $\\log T_f$, $\\log T_m \\propto -\\rho^{2/3}$, where $\\rho$ is the number density, which is consistent with Stillinger's conjecture. Thermodynamic quantities such as the energy and pressure and the structural functions such as the static structure factor are also investigated in the fluid phase for a wide range of temperature above the phase boundary. We compare the numerical results with the prediction of the liquid theory with the random phase approximation (RPA). At high temperatures, the results are in almost perfect agreement with RPA for a wide range of density, as it has been already shown in the previous studies. In the low temperature regime close to the phase boundary line, although RPA fails to describe the structure factors and the radial distribution functions at the length scales of the interparticle distance, it successfully predicts their behaviors at shorter length scales. RPA also predicts thermodynamic quantities such as the energy, pressure, and the temperature at which the thermal expansion coefficient becomes negative, almost perfectly. Striking ability of RPA to predict thermodynamic quantities even at high densities and low temperatures is understood in terms of the decoupling of the length scales which dictate thermodynamic quantities from the interparticle distance which dominates the peak structures of the static structure factor due to the softness of the Gaussian core potential.

  2. Substrate Creep on The Fatigue Life of A Model Dental Multilayer Structure

    SciTech Connect (OSTI)

    Zhou, J; Huang, M; Niu, X; soboyejo, W

    2006-10-09T23:59:59.000Z

    In this paper, we investigated the effects of substrate creep on the fatigue behavior of a model dental multilayer structure, in which a top glass layer was bonded to a polycarbonate substrate through a dental adhesive. The top glass layers were ground using 120 grit or 600 grit sand papers before bonding to create different sub-surface crack sizes and morphologies. The multilayer structures were tested under cyclic Hertzian contact loading to study crack growth and obtain fatigue life curves. The experiment results showed that the fatigue lives of the multilayer structures were impaired by increasing crack sizes in the sub-surfaces. They were also significantly reduced by the substrate creep when tested at relatively low load levels i.e. P{sub m} < 60 N (Pm is the maximum magnitude of cyclic load). But at relatively high load levels i.e. P{sub m} > 65 N, slow crack growth (SCG) was the major failure mechanisms. A modeling study was then carried out to explore the possible failure mechanisms over a range of load levels. It is found that fatigue life at relatively low load levels can be better estimated by considering the substrate creep effect (SCE).

  3. A nonstoichiometric structural model to characterize changes in the nickel hydroxide electrode during cycling

    SciTech Connect (OSTI)

    Srinivasan, Venkat; Bahne, C. Cornilsen; Weidner, John W.

    2003-09-15T23:59:59.000Z

    Experimental capacities and mass changes are recorded using an electrochemical quartz crystal microbalance during the first 9 charge and discharge cycles of nickel hydroxide thin films cycled in 3.0 weight percent (wt%) potassium hydroxide electrolyte. For the first time, the film capacities have been corrected for the oxygen evolution side reaction, and the data used as input into the point defect-containing structural model to track the changes that occur during short-term cycling. Variations in capacity and mass during formation and charge/discharge cycling are related to changes in the point defect parameters, thus providing a structural origin for the unique experimental variations observed here and often reported in the literature, but previously unexplained. Proton-, potassium-, and water-content vary in the active material during charge/discharge cycling. The observed capacity loss, or ''capacity fade'', is explained by incomplete incorporation of potassium ions in (or near) the nickel vacancy during charge, as additional protons are then allowed to occupy the vacant lattice site. The increase in water content during reduction parallels the expansion of the electrode that is well known during cycling. This result confirms the origin of the swelling phenomenon as being caused by water incorporation. The model and methodology developed in this paper can be used to correlate electrochemical signatures with material chemical structure.

  4. An axisymmetric hydrodynamical model for the torus wind in AGN. II: X-ray excited funnel flow

    E-Print Network [OSTI]

    A. Dorodnitsyn; T. Kallman; D. Proga

    2008-06-23T23:59:59.000Z

    We have calculated a series of models of outflows from the obscuring torus in active galactic nuclei (AGN). Our modeling assumes that the inner face of a rotationally supported torus is illuminated and heated by the intense X-rays from the inner accretion disk and black hole. As a result of such heating a strong biconical outflow is observed in our simulations. We calculate 3-dimensional hydrodynamical models, assuming axial symmetry, and including the effects of X-ray heating, ionization, and radiation pressure. We discuss the behavior of a large family of these models, their velocity fields, mass fluxes and temperature, as functions of the torus properties and X-ray flux. Synthetic warm absorber spectra are calculated, assuming pure absorption, for sample models at various inclination angles and observing times. We show that these models have mass fluxes and flow speeds which are comparable to those which have been inferred from observations of Seyfert 1 warm absorbers, and that they can produce rich absorption line spectra.

  5. An axisymmetric hydrodynamical model for the torus wind in AGN. II: X-ray excited funnel flow

    E-Print Network [OSTI]

    Dorodnitsyn, A; Proga, D

    2008-01-01T23:59:59.000Z

    We have calculated a series of models of outflows from the obscuring torus in active galactic nuclei (AGN). Our modeling assumes that the inner face of a rotationally supported torus is illuminated and heated by the intense X-rays from the inner accretion disk and black hole. As a result of such heating a strong biconical outflow is observed in our simulations. We calculate 3-dimensional hydrodynamical models, assuming axial symmetry, and including the effects of X-ray heating, ionization, and radiation pressure. We discuss the behavior of a large family of these models, their velocity fields, mass fluxes and temperature, as functions of the torus properties and X-ray flux. Synthetic warm absorber spectra are calculated, assuming pure absorption, for sample models at various inclination angles and observing times. We show that these models have mass fluxes and flow speeds which are comparable to those which have been inferred from observations of Seyfert 1 warm absorbers, and that they can produce rich absorp...

  6. 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...

  7. A Home Ignition Assessment Model Applied to Structures in the Wildland-Urban Interface

    SciTech Connect (OSTI)

    Biswas, Kaushik [ORNL; Werth, David [Savannah River National Laboratory, Aiken, SC; Gupta, Narendra [Savannah River National Laboratory, Aiken, SC

    2013-01-01T23:59:59.000Z

    The issue of exterior fire threat to buildings, from either wildfires in the wildland-urban interface or neighboring structure fires, is critically important. To address this, theWildfire Ignition Resistant Home Design (WIRHD) program was initiated. The WIRHD program developed a tool, theWildFIREWizard, that will allow homeowners to estimate the external fire threat to their homes based on specific features and characteristics of the homes and yards. The software then makes recommendations to reduce the threat. The inputs include the structural and material features of the home and information about any ignition sources or flammable objects in its immediate vicinity, known as the home ignition zone. The tool comprises an ignition assessment model that performs explicit calculations of the radiant and convective heating of the building envelope from the potential ignition sources. This article describes a series of material ignition and flammability tests that were performed to calibrate and/or validate the ignition assessment model. The tests involved exposing test walls with different external siding types to radiant heating and/or direct flame contact.The responses of the test walls were used to determine the conditions leading to melting, ignition, or any other mode of failure of the walls. Temperature data were used to verify the model predictions of temperature rises and ignition times of the test walls.

  8. Non-equilibrium structure and dynamics in a microscopic model of thin film active gels

    E-Print Network [OSTI]

    D. A. Head; W. J. Briels; G. Gompper

    2014-02-26T23:59:59.000Z

    In the presence of ATP, molecular motors generate active force dipoles that drive suspensions of protein filaments far from thermodynamic equilibrium, leading to exotic dynamics and pattern formation. Microscopic modelling can help to quantify the relationship between individual motors plus filaments to organisation and dynamics on molecular and supra-molecular length scales. Here we present results of extensive numerical simulations of active gels where the motors and filaments are confined between two infinite parallel plates. Thermal fluctuations and excluded-volume interactions between filaments are included. A systematic variation of rates for motor motion, attachment and detachment, including a differential detachment rate from filament ends, reveals a range of non-equilibrium behaviour. Strong motor binding produces structured filament aggregates that we refer to as asters, bundles or layers, whose stability depends on motor speed and differential end-detachment. The gross features of the dependence of the observed structures on the motor rate and the filament concentration can be captured by a simple one-filament model. Loosely bound aggregates exhibit super-diffusive mass transport, where filament translocation scales with lag time with non-unique exponents that depend on motor kinetics. An empirical data collapse of filament speed as a function of motor speed and end-detachment is found, suggesting a dimensional reduction of the relevant parameter space. We conclude by discussing the perspectives of microscopic modelling in the field of active gels.

  9. Black Liquor Combustion Validated Recovery Boiler Modeling, Final Year Report, Volume 3: Appendix II, Sections 2 & 3 and Appendix III

    SciTech Connect (OSTI)

    T.M. Grace, W.J. Frederick, M. Salcudean, R.A. Wessel

    1998-08-01T23:59:59.000Z

    This project was initiated in October 1990 with the objective of developing and validating a new computer model of a recovery boiler furnace using a computational fluid dynamics (CFD) code specifically tailored to the requirements for solving recovery boiler flows, and using improved submodels for black liquor combustion based on continued laboratory fundamental studies. Many of these objectives were accomplished at the end of the first five years and documented in a comprehensive report on that work (DOE/CE/40936-T3, 1996). A critical review of recovery boiler modeling, carried out in 1995, concluded that further enhancements of the model were needed to make reliable predictions of key output variables. In addition, there was a need for sufficient understanding of fouling and plugging processes to allow model outputs to be interpreted in terms of the effect on plugging and fouling. As a result, the project was restructured and reinitiated at the end of October 1995, and was completed in June 1997. The entire project is now complete and this report summarizes all of the work done on the project since it was restructured. The key tasks to be accomplished under the restructured project were to (1) Complete the development of enhanced furnace models that have the capability to accurately predict carryover, emissions behavior, dust concentrations, gas temperatures, and wall heat fluxes; (2) Validate the enhanced furnace models, so that users can have confidence in the results; (3) Obtain fundamental information on aerosol formation, deposition, and hardening so as to develop the knowledge base needed to relate furnace model outputs to plugging and fouling in the convective sections of the boiler; and (4) Facilitate the transfer of codes, black liquor submodels, and fundamental knowledge to the U.S. kraft pulp industry.

  10. Durability-Based Design Guide for an Automotive Structural Composite: Part 2. Background Data and Models

    SciTech Connect (OSTI)

    Corum, J.M. [ORNL; Battiste, R.L. [ORNL; Brinkman, C.R. [ORNL; Ren, W. [ORNL; Ruggles, M.B. [ORNL; Weitsman, Y.J. [ORNL; Yahr, G.T. [ORNL

    1998-02-01T23:59:59.000Z

    This background report is a companion to the document entitled ''Durability-Based Design Criteria for an Automotive Structural Composite: Part 1. Design Rules'' (ORNL-6930). The rules and the supporting material characterization and modeling efforts described here are the result of a U.S. Department of Energy Advanced Automotive Materials project entitled ''Durability of Lightweight Composite Structures.'' The overall goal of the project is to develop experimentally based, durability-driven design guidelines for automotive structural composites. The project is closely coordinated with the Automotive Composites Consortium (ACC). The initial reference material addressed by the rules and this background report was chosen and supplied by ACC. The material is a structural reaction injection-molded isocyanurate (urethane), reinforced with continuous-strand, swirl-mat, E-glass fibers. This report consists of 16 position papers, each summarizing the observations and results of a key area of investigation carried out to provide the basis for the durability-based design guide. The durability issues addressed include the effects of cyclic and sustained loadings, temperature, automotive fluids, vibrations, and low-energy impacts (e.g., tool drops and roadway kickups) on deformation, strength, and stiffness. The position papers cover these durability issues. Topics include (1) tensile, compressive, shear, and flexural properties; (2) creep and creep rupture; (3) cyclic fatigue; (4) the effects of temperature, environment, and prior loadings; (5) a multiaxial strength criterion; (6) impact damage and damage tolerance design; (7) stress concentrations; (8) a damage-based predictive model for time-dependent deformations; (9) confirmatory subscale component tests; and (10) damage development and growth observations.

  11. CPUF - a chemical-structure-based polyurethane foam decomposition and foam response model.

    SciTech Connect (OSTI)

    Fletcher, Thomas H. (Brigham Young University, Provo, UT); Thompson, Kyle Richard; Erickson, Kenneth L.; Dowding, Kevin J.; Clayton, Daniel (Brigham Young University, Provo, UT); Chu, Tze Yao; Hobbs, Michael L.; Borek, Theodore Thaddeus III

    2003-07-01T23:59:59.000Z

    A Chemical-structure-based PolyUrethane Foam (CPUF) decomposition model has been developed to predict the fire-induced response of rigid, closed-cell polyurethane foam-filled systems. The model, developed for the B-61 and W-80 fireset foam, is based on a cascade of bondbreaking reactions that produce CO2. Percolation theory is used to dynamically quantify polymer fragment populations of the thermally degrading foam. The partition between condensed-phase polymer fragments and gas-phase polymer fragments (i.e. vapor-liquid split) was determined using a vapor-liquid equilibrium model. The CPUF decomposition model was implemented into the finite element (FE) heat conduction codes COYOTE and CALORE, which support chemical kinetics and enclosure radiation. Elements were removed from the computational domain when the calculated solid mass fractions within the individual finite element decrease below a set criterion. Element removal, referred to as ?element death,? creates a radiation enclosure (assumed to be non-participating) as well as a decomposition front, which separates the condensed-phase encapsulant from the gas-filled enclosure. All of the chemistry parameters as well as thermophysical properties for the CPUF model were obtained from small-scale laboratory experiments. The CPUF model was evaluated by comparing predictions to measurements. The validation experiments included several thermogravimetric experiments at pressures ranging from ambient pressure to 30 bars. Larger, component-scale experiments were also used to validate the foam response model. The effects of heat flux, bulk density, orientation, embedded components, confinement and pressure were measured and compared to model predictions. Uncertainties in the model results were evaluated using a mean value approach. The measured mass loss in the TGA experiments and the measured location of the decomposition front were within the 95% prediction limit determined using the CPUF model for all of the experiments where the decomposition gases were vented sufficiently. The CPUF model results were not as good for the partially confined radiant heat experiments where the vent area was regulated to maintain pressure. Liquefaction and flow effects, which are not considered in the CPUF model, become important when the decomposition gases are confined.

  12. Black liquor combustion validated recovery boiler modeling: Final year report. Volume 3 (Appendices II, sections 2--3 and III)

    SciTech Connect (OSTI)

    Grace, T.M.; Frederick, W.J.; Salcudean, M.; Wessel, R.A.

    1998-08-01T23:59:59.000Z

    This project was initiated in October 1990, with the objective of developing and validating a new computer model of a recovery boiler furnace using a computational fluid dynamics (CFD) code specifically tailored to the requirements for solving recovery boiler flows, and using improved submodels for black liquor combustion based on continued laboratory fundamental studies. The key tasks to be accomplished were as follows: (1) Complete the development of enhanced furnace models that have the capability to accurately predict carryover, emissions behavior, dust concentrations, gas temperatures, and wall heat fluxes. (2) Validate the enhanced furnace models, so that users can have confidence in the predicted results. (3) Obtain fundamental information on aerosol formation, deposition, and hardening so as to develop the knowledge base needed to relate furnace model outputs to plugging and fouling in the convective sections of the boiler. (4) Facilitate the transfer of codes, black liquid submodels, and fundamental knowledge to the US kraft pulp industry. Volume 3 contains the following appendix sections: Formation and destruction of nitrogen oxides in recovery boilers; Sintering and densification of recovery boiler deposits laboratory data and a rate model; and Experimental data on rates of particulate formation during char bed burning.

  13. II f

    Office of Legacy Management (LM)

    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 742EnergyOn AprilA group currentBradleyTableSelling CorpNewCF INDUSTRIES,L? .-I I ,Is II:c* -W.f - f

  14. Ii1

    Office of Legacy Management (LM)

    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 742EnergyOn AprilA group currentBradleyTableSelling CorpNewCF INDUSTRIES,L? .-I I ,Is II:c*1r' (-r

  15. Revisiting the Rigidly Rotating Magnetosphere model for $\\sigma$ Ori E - II. Magnetic Doppler imaging, arbitrary field RRM, and light variability

    E-Print Network [OSTI]

    Oksala, M E; Krticka, J; Townsend, R H D; Wade, G A; Prvak, M; Mikulasek, Z; Silvester, J; Owocki, S P

    2015-01-01T23:59:59.000Z

    The initial success of the Rigidly Rotating Magnetosphere (RRM) model application to the B2Vp star sigma OriE by Townsend, Owocki & Groote (2005) triggered a renewed era of observational monitoring of this archetypal object. We utilize high-resolution spectropolarimetry and the magnetic Doppler imaging (MDI) technique to simultaneously determine the magnetic configuration, which is predominately dipolar, with a polar strength Bd = 7.3-7.8 kG and a smaller non-axisymmetric quadrupolar contribution, as well as the surface distribution of abundance of He, Fe, C, and Si. We describe a revised RRM model that now accepts an arbitrary surface magnetic field configuration, with the field topology from the MDI models used as input. The resulting synthetic Ha emission and broadband photometric observations generally agree with observations, however, several features are poorly fit. To explore the possibility of a photospheric contribution to the observed photometric variability, the MDI abundance maps were used to ...

  16. Combined Search for the Standard Model Higgs Boson Decaying to bb? Using the D0 Run II Data Set

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

    Abazov, V. M.; Abbott, B.; Acharya, B. S.; Adams, M.; Adams, T.; Alexeev, G. D.; Alkhazov, G.; Alton, A.; Alverson, G.; Askew, A.; et al

    2012-09-01T23:59:59.000Z

    We present the results of the combination of searches for the standard model Higgs boson produced in association with a W or Z boson and decaying into bb? using the data sample collected with the D0 detector in pp? collisions at ?s=1.96 TeV at the Fermilab Tevatron Collider. We derive 95% C.L. upper limits on the Higgs boson cross section relative to the standard model prediction in the mass range 100 GeV?MH?150 GeV, and we exclude Higgs bosons with masses smaller than 102 GeV at the 95% C.L. In the mass range 120 GeV?MH?145 GeV, the data exhibit an excessmore »above the background prediction with a global significance of 1.5 standard deviations, consistent with the expectation in the presence of a standard model Higgs boson.« less

  17. Combined Search for the Standard Model Higgs Boson Decaying to bb? Using the D0 Run II Data Set

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

    Abazov, V. M.; Abbott, B.; Acharya, B. S.; Adams, M.; Adams, T.; Alexeev, G. D.; Alkhazov, G.; Alton, A.; Alverson, G.; Askew, A.; Atkins, S.; Augsten, K.; Avila, C.; Badaud, F.; Bagby, L.; Baldin, B.; Bandurin, D. V.; Banerjee, S.; Barberis, E.; Baringer, P.; Bartlett, J. F.; Bassler, U.; Bazterra, V.; Bean, A.; Begalli, M.; Bellantoni, L.; Beri, S. B.; Bernardi, G.; Bernhard, R.; Bertram, I.; Besançon, M.; Beuselinck, R.; Bhat, P. C.; Bhatia, S.; Bhatnagar, V.; Blazey, G.; Blessing, S.; Bloom, K.; Boehnlein, A.; Boline, D.; Boos, E. E.; Borissov, G.; Bose, T.; Brandt, A.; Brandt, O.; Brock, R.; Bross, A.; Brown, D.; Brown, J.; Bu, X. B.; Buehler, M.; Buescher, V.; Bunichev, V.; Burdin, S.; Buszello, C. P.; Camacho-Pérez, E.; Casey, B. C. K.; Castilla-Valdez, H.; Caughron, S.; Chakrabarti, S.; Chakraborty, D.; Chan, K. M.; Chandra, A.; Chapon, E.; Chen, G.; Chevalier-Théry, S.; Cho, D. K.; Cho, S. W.; Choi, S.; Choudhary, B.; Cihangir, S.; Claes, D.; Clutter, J.; Cooke, M.; Cooper, W. E.; Corcoran, M.; Couderc, F.; Cousinou, M.-C.; Croc, A.; Cutts, D.; Das, A.; Davies, G.; de Jong, S. J.; De La Cruz-Burelo, E.; Déliot, F.; Demina, R.; Denisov, D.; Denisov, S. P.; Desai, S.; Deterre, C.; DeVaughan, K.; Diehl, H. T.; Diesburg, M.; Ding, P. F.; Dominguez, A.; Dubey, A.; Dudko, L. V.; Duggan, D.; Duperrin, A.; Dutt, S.; Dyshkant, A.; Eads, M.; Edmunds, D.; Ellison, J.; Elvira, V. D.; Enari, Y.; Evans, H.; Evdokimov, A.; Evdokimov, V. N.; Facini, G.; Feng, L.; Ferbel, T.; Fiedler, F.; Filthaut, F.; Fisher, W.; Fisk, H. E.; Fortner, M.; Fox, H.; Fuess, S.; Garcia-Bellido, A.; García-González, J. A.; García-Guerra, G. A.; Gavrilov, V.; Gay, P.; Geng, W.; Gerbaudo, D.; Gerber, C. E.; Gershtein, Y.; Ginther, G.; Golovanov, G.; Goussiou, A.; Grannis, P. D.; Greder, S.; Greenlee, H.; Grenier, G.; Gris, Ph.; Grivaz, J.-F.; Grohsjean, A.; Grünendahl, S.; Grünewald, M. W.; Guillemin, T.; Gutierrez, G.; Gutierrez, P.; Hagopian, S.; Haley, J.; Han, L.; Harder, K.; Harel, A.; Hauptman, J. M.; Hays, J.; Head, T.; Hebbeker, T.; Hedin, D.; Hegab, H.; Heinson, A. P.; Heintz, U.; Hensel, C.; Heredia De La Cruz, I.; Herner, K.; Hesketh, G.; Hildreth, M. D.; Hirosky, R.; Hoang, T.; Hobbs, J. D.; Hoeneisen, B.; Hogan, J.; Hohlfeld, M.; Howley, I.; Hubacek, Z.; Hynek, V.; Iashvili, I.; Ilchenko, Y.; Illingworth, R.; Ito, A. S.; Jabeen, S.; Jaffré, M.; Jayasinghe, A.; Jeong, M. S.; Jesik, R.; Jiang, P.; Johns, K.; Johnson, E.; Johnson, M.; Jonckheere, A.; Jonsson, P.; Joshi, J.; Jung, A. W.; Juste, A.; Kaadze, K.; Kajfasz, E.; Karmanov, D.; Kasper, P. A.; Katsanos, I.; Kehoe, R.; Kermiche, S.; Khalatyan, N.; Khanov, A.; Kharchilava, A.; Kharzheev, Y. N.; Kiselevich, I.; Kohli, J. M.; Kozelov, A. V.; Kraus, J.; Kulikov, S.; Kumar, A.; Kupco, A.; Kur?a, T.; Kuzmin, V. A.; Lammers, S.; Landsberg, G.; Lebrun, P.; Lee, H. S.; Lee, S. W.; Lee, W. M.; Lei, X.; Lellouch, J.; Li, D.; Li, H.; Li, L.; Li, Q. Z.; Lim, J. K.; Lincoln, D.; Linnemann, J.; Lipaev, V. V.; Lipton, R.; Liu, H.; Liu, Y.; Lobodenko, A.; Lokajicek, M.; Lopes de Sa, R.; Lubatti, H. J.; Luna-Garcia, R.; Lyon, A. L.; Maciel, A. K. A.; Madar, R.; Magaña-Villalba, R.; Malik, S.; Malyshev, V. L.; Maravin, Y.; Martínez-Ortega, J.; McCarthy, R.; McGivern, C. L.; Meijer, M. M.; Melnitchouk, A.; Menezes, D.; Mercadante, P. G.; Merkin, M.; Meyer, A.; Meyer, J.; Miconi, F.; Mondal, N. K.; Mulhearn, M.; Nagy, E.; Naimuddin, M.; Narain, M.; Nayyar, R.; Neal, H. A.; Negret, J. P.; Neustroev, P.; Nguyen, H. T.; Nunnemann, T.; Orduna, J.; Osman, N.; Osta, J.; Padilla, M.; Pal, A.; Parashar, N.; Parihar, V.; Park, S. K.; Partridge, R.; Parua, N.; Patwa, A.; Penning, B.; Perfilov, M.; Peters, Y.; Petridis, K.; Petrillo, G.; Pétroff, P.; Pleier, M.-A.; Podesta-Lerma, P. L. M.; Podstavkov, V. M.; Popov, A. V.; Prewitt, M.; Price, D.; Prokopenko, N.; Qian, J.; Quadt, A.; Quinn, B.; Rangel, M. S.; Ranjan, K.; Ratoff, P. N.; Razumov, I.; Renkel, P.; Ripp-Baudot, I.; Rizatdinova, F.; Rominsky, M.; Ross, A.; Royon, C.; Rubinov, P.; Ruchti, R.; Sajot, G.; Salcido, P.; Sánchez-Hernández, A.; Sanders, M. P.; Santos, A. S.; Savage, G.; Sawyer, L.; Scanlon, T.; Schamberger, R. D.; Scheglov, Y.; Schellman, H.; Schlobohm, S.; Schwanenberger, C.; Schwienhorst, R.; Sekaric, J.; Severini, H.; Shabalina, E.; Shary, V.; Shaw, S.; Shchukin, A. A.; Shivpuri, R. K.; Simak, V.; Skubic, P.; Slattery, P.; Smirnov, D.; Smith, K. J.; Snow, G. R.; Snow, J.; Snyder, S.; Söldner-Rembold, S.; Sonnenschein, L.; Soustruznik, K.; Stark, J.; Stoyanova, D. A.; Strauss, M.; Suter, L.; Svoisky, P.; Takahashi, M.; Titov, M.; Tokmenin, V. V.; Tsai, Y.-T.; Tschann-Grimm, K.; Tsybychev, D.; Tuchming, B.; Tully, C.; Uvarov, L.; Uvarov, S.; Uzunyan, S.; Van Kooten, R.; van Leeuwen, W. M.; Varelas, N.; Varnes, E. W.

    2012-09-01T23:59:59.000Z

    We present the results of the combination of searches for the standard model Higgs boson produced in association with a W or Z boson and decaying into bb? using the data sample collected with the D0 detector in pp? collisions at ?s=1.96 TeV at the Fermilab Tevatron Collider. We derive 95% C.L. upper limits on the Higgs boson cross section relative to the standard model prediction in the mass range 100 GeV?MH?150 GeV, and we exclude Higgs bosons with masses smaller than 102 GeV at the 95% C.L. In the mass range 120 GeV?MH?145 GeV, the data exhibit an excess above the background prediction with a global significance of 1.5 standard deviations, consistent with the expectation in the presence of a standard model Higgs boson.

  18. Combined search for the standard model Higgs boson decaying to b bbar using the D0 Run II data set

    E-Print Network [OSTI]

    D0 Collaboration

    2012-09-25T23:59:59.000Z

    We present the results of the combination of searches for the standard model Higgs boson produced in association with a W or Z boson and decaying into b bbar using the data sample collected with the D0 detector in p pbar collisions at sqrt{s}=1.96 TeV at the Fermilab Tevatron Collider. We derive 95% CL upper limits on the Higgs boson cross section relative to the standard model prediction in the mass range 100 GeV Higgs boson.

  19. Turbulence Modelling and Stirring Mechanisms in the Cosmological Large-scale Structure

    E-Print Network [OSTI]

    Iapichino, L; Niemeyer, J C; Merklein, J

    2011-01-01T23:59:59.000Z

    FEARLESS (Fluid mEchanics with Adaptively Refined Large Eddy SimulationS) is a numerical scheme for modelling subgrid-scale turbulence in cosmological adaptive mesh refinement simulations. In this contribution, the main features of this tool will be outlined. We discuss the application of this method to cosmological simulations of the large-scale structure. The simulations show that the production of turbulence has a different redshift dependence in the intra-cluster medium and the warm-hot intergalactic medium, caused by the distinct stirring mechanisms (mergers and shock interactions) acting in them. Some properties of the non-thermal pressure support in the two baryon phases are also described.

  20. Comparison of Strong Gravitational Lens Model Software II. HydraLens: Computer-Assisted Strong Gravitational Lens Model Generation and Translation

    E-Print Network [OSTI]

    Lefor, Alsn T

    2015-01-01T23:59:59.000Z

    The behavior of strong gravitational lens model software in the analysis of lens models is not necessarily consistent among the various software available, suggesting that the use of several models may enhance the understanding of the system being studied. Among the publicly available codes, the model input files are heterogeneous, making the creation of multiple models tedious. An enhanced method of creating model files and a method to easily create multiple models, may increase the number of comparison studies. HydraLens simplifies the creation of model files for four strong gravitational lens model software packages, including Lenstool, Gravlens/Lensmodel, glafic and PixeLens, using a custom designed GUI for each of the four codes that simplifies the entry of the model for each of these codes, obviating the need for user manuals to set the values of the many flags and in each data field. HydraLens is designed in a modular fashion, which simplifies the addition of other strong gravitational lens codes in th...

  1. On the intersection of the shell, collective and cluster models of atomic nuclei II: Symmetry-breaking and large deformations

    E-Print Network [OSTI]

    J. Cseh; J. Darai

    2014-04-14T23:59:59.000Z

    We discuss the role of the broken symmetries in the connection of the shell, collective and cluster models. The cluster-shell competition is described in terms of cold quantum phases. Stable quasi-dynamical U(3) symmetry is found for specific large deformations for a Nilsson-type Hamiltonian.

  2. A localised subgrid scale model for fluid dynamical simulations in astrophysics II: Application to type Ia supernovae

    E-Print Network [OSTI]

    W. Schmidt; J. C. Niemeyer; W. Hillebrandt; F. K. Roepke

    2006-01-23T23:59:59.000Z

    The dynamics of the explosive burning process is highly sensitive to the flame speed model in numerical simulations of type Ia supernovae. Based upon the hypothesis that the effective flame speed is determined by the unresolved turbulent velocity fluctuations, we employ a new subgrid scale model which includes a localised treatment of the energy transfer through the turbulence cascade in combination with semi-statistical closures for the dissipation and non-local transport of turbulence energy. In addition, subgrid scale buoyancy effects are included. In the limit of negligible energy transfer and transport, the dynamical model reduces to the Sharp-Wheeler relation. According to our findings, the Sharp-Wheeler relation is insuffcient to account for the complicated turbulent dynamics of flames in thermonuclear supernovae. The application of a co-moving grid technique enables us to achieve very high spatial resolution in the burning region. Turbulence is produced mostly at the flame surface and in the interior ash regions. Consequently, there is a pronounced anisotropy in the vicinity of the flame fronts. The localised subgrid scale model predicts significantly enhanced energy generation and less unburnt carbon and oxygen at low velocities compared to earlier simulations.

  3. A Bayesian method for characterizing distributed micro-releases: II. inference under model uncertainty with short time-series data.

    SciTech Connect (OSTI)

    Marzouk, Youssef; Fast P. (Lawrence Livermore National Laboratory, Livermore, CA); Kraus, M. (Peterson AFB, CO); Ray, J. P.

    2006-01-01T23:59:59.000Z

    Terrorist attacks using an aerosolized pathogen preparation have gained credibility as a national security concern after the anthrax attacks of 2001. The ability to characterize such attacks, i.e., to estimate the number of people infected, the time of infection, and the average dose received, is important when planning a medical response. We address this question of characterization by formulating a Bayesian inverse problem predicated on a short time-series of diagnosed patients exhibiting symptoms. To be of relevance to response planning, we limit ourselves to 3-5 days of data. In tests performed with anthrax as the pathogen, we find that these data are usually sufficient, especially if the model of the outbreak used in the inverse problem is an accurate one. In some cases the scarcity of data may initially support outbreak characterizations at odds with the true one, but with sufficient data the correct inferences are recovered; in other words, the inverse problem posed and its solution methodology are consistent. We also explore the effect of model error-situations for which the model used in the inverse problem is only a partially accurate representation of the outbreak; here, the model predictions and the observations differ by more than a random noise. We find that while there is a consistent discrepancy between the inferred and the true characterizations, they are also close enough to be of relevance when planning a response.

  4. Published in A. Drexl and A. Kimms (Eds), "Beyond Manufacturing Resource Planning (MRP II), Advanced Models and Methods for

    E-Print Network [OSTI]

    ), Advanced Models and Methods for Production Planning", Springer-Verlag, 1998, 379-411. Copyright, Springer (IDSS) to the lowest level of the PMS, namely the production activity control (PAC) subsystem. The IDSS the primitive Material Requirements Planning (MRP) features [22]. A production management system (PMS

  5. MODELLING OF THE PERC STRUCTURE WITH STRIPE AND DOT BACK K.R. Catchpole and A.W. Blakers

    E-Print Network [OSTI]

    MODELLING OF THE PERC STRUCTURE WITH STRIPE AND DOT BACK CONTACTS K.R. Catchpole and A.W. Blakers Centre for Sustainable Energy Systems Engineering Department, FEIT, The Australian National University commercial cell designs with only a small increase in process complexity. Optimisation of the PERC structure

  6. Forecasting the conditional volatility of oil spot and futures prices with structural breaks and long memory models

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Forecasting the conditional volatility of oil spot and futures prices with structural breaks of oil spot and futures prices using three GARCH-type models, i.e., linear GARCH, GARCH with structural that oil price fluctuations influence economic activity and financial sector (e.g., Jones and Kaul, 1996

  7. A controlled distributed parameter model for a fluid-flexible structure system: numerical simulations and experiment validations

    E-Print Network [OSTI]

    Baudouin, Lucie

    A controlled distributed parameter model for a fluid-flexible structure system: numerical consider the problem of active reduction of vibrations in a fluid-flexible structure system and the sloshing of the fuel inside the wing's tank. The control is performed using piezoelectric patches

  8. Phase structure of an Abelian two-Higgs model and high temperature superconductors

    E-Print Network [OSTI]

    M. N. Chernodub; E. -M. Ilgenfritz; A. Schiller

    2005-12-06T23:59:59.000Z

    We study the phase structure of a three dimensional Abelian Higgs model with singly- and doubly-charged scalar fields coupled to a compact Abelian gauge field. The model is pretending to describe systems of strongly correlated electrons such as high-Tc superconductivity in overdoped regime and exotic phases supporting excitations with fractionalized quantum numbers. We identify the Fermi liquid, the spin gap, the superconductor and the strange metallic phases in which densities and properties of holon and spinon vortices and monopoles are explored. The phase diagram in the 3D coupling space is predicted. We show that at sufficiently strong gauge coupling the spinon-pair and holon condensation transitions merge together and become, unexpectedly, first order.

  9. Shock structure and temperature overshoot in macroscopic multi-temperature model of mixtures

    SciTech Connect (OSTI)

    Madjarevi?, Damir, E-mail: damirm@uns.ac.rs; Simi?, Srboljub, E-mail: ssimic@uns.ac.rs [Department of Mechanics, Faculty of Technical Sciences, University of Novi Sad, Trg Dositeja Obradovi?a 6, 21000 Novi Sad (Serbia); Ruggeri, Tommaso, E-mail: tommaso.ruggeri@unibo.it [Department of Mathematics and Research Center of Applied Mathematics, University of Bologna, Via Saragozza 8, 40123 Bologna (Italy)

    2014-10-15T23:59:59.000Z

    The paper discusses the shock structure in macroscopic multi-temperature model of gaseous mixtures, recently established within the framework of extended thermodynamics. The study is restricted to weak and moderate shocks in a binary mixture of ideal gases with negligible viscosity and heat conductivity. The model predicts the existence of temperature overshoot of heavier constituent, like more sophisticated approaches, but also puts in evidence its non-monotonic behavior not documented in other studies. This phenomenon is explained as a consequence of weak energy exchange between the constituents, either due to large mass difference, or large rarefaction of the mixture. In the range of small Mach number it is also shown that shock thickness (or equivalently, the inverse of Knudsen number) decreases with the increase of Mach number, as well as when the mixture tends to behave like a single-component gas (small mass difference and/or presence of one constituent in traces)

  10. Ab initio correlation effects on the electronic and transport properties of metal(II)-phthalocyanine based devices

    E-Print Network [OSTI]

    Arrigo Calzolari; Andrea Ferretti; Marco Buongiorno Nardelli

    2007-05-30T23:59:59.000Z

    Using first principles calculations in the framework of Density Functional Theory, we investigated the electronic and transport properties of metal(II)-phthalocyanine (M(II)Pc) systems, both in a single molecule configuration and in a model-device geometry. In particular, using the Copper(II)- and Manganese(II)-Pc as prototypical examples, we studied how electronic correlations on the central metal-ion influence the analysis of the electronic structure of the system and we demonstrated that the choice of the exchange-correlation functional, also beyond the standard local or gradient corrected level, is of crucial importance for a correct interpretation of the data. Finally, our electronic transport simulations have shown that M(II)Pc-based devices can act selectively as molecular conductors, as in the case of Copper, or as spin valves, as in the case of Manganese, demonstrating once more the great potential of these systems for molecular nanoelectronics applications.

  11. Health effects model for nuclear power plant accident consequence analysis. Part I. Introduction, integration, and summary. Part II. Scientific basis for health effects models

    SciTech Connect (OSTI)

    Evans, J.S.; Moeller, D.W.; Cooper, D.W.

    1985-07-01T23:59:59.000Z

    Analysis of the radiological health effects of nuclear power plant accidents requires models for predicting early health effects, cancers and benign thyroid nodules, and genetic effects. Since the publication of the Reactor Safety Study, additional information on radiological health effects has become available. This report summarizes the efforts of a program designed to provide revised health effects models for nuclear power plant accident consequence modeling. The new models for early effects address four causes of mortality and nine categories of morbidity. The models for early effects are based upon two parameter Weibull functions. They permit evaluation of the influence of dose protraction and address the issue of variation in radiosensitivity among the population. The piecewise-linear dose-response models used in the Reactor Safety Study to predict cancers and thyroid nodules have been replaced by linear and linear-quadratic models. The new models reflect the most recently reported results of the follow-up of the survivors of the bombings of Hiroshima and Nagasaki and permit analysis of both morbidity and mortality. The new models for genetic effects allow prediction of genetic risks in each of the first five generations after an accident and include information on the relative severity of various classes of genetic effects. The uncertainty in modeloling radiological health risks is addressed by providing central, upper, and lower estimates of risks. An approach is outlined for summarizing the health consequences of nuclear power plant accidents. 298 refs., 9 figs., 49 tabs.

  12. A coarse-grained model with implicit salt for RNAs: Predicting 3D structure, stability and salt effect

    SciTech Connect (OSTI)

    Shi, Ya-Zhou; Wang, Feng-Hua; Wu, Yuan-Yan; Tan, Zhi-Jie, E-mail: zjtan@whu.edu.cn [Department of Physics and Key Laboratory of Artificial Micro- and Nano-Structures of Ministry of Education, School of Physics and Technology, Wuhan University, Wuhan 430072 (China)

    2014-09-14T23:59:59.000Z

    To bridge the gap between the sequences and 3-dimensional (3D) structures of RNAs, some computational models have been proposed for predicting RNA 3D structures. However, the existed models seldom consider the conditions departing from the room/body temperature and high salt (1M NaCl), and thus generally hardly predict the thermodynamics and salt effect. In this study, we propose a coarse-grained model with implicit salt for RNAs to predict 3D structures, stability, and salt effect. Combined with Monte Carlo simulated annealing algorithm and a coarse-grained force field, the model folds 46 tested RNAs (?45 nt) including pseudoknots into their native-like structures from their sequences, with an overall mean RMSD of 3.5 Å and an overall minimum RMSD of 1.9 Å from the experimental structures. For 30 RNA hairpins, the present model also gives the reliable predictions for the stability and salt effect with the mean deviation ? 1.0 °C of melting temperatures, as compared with the extensive experimental data. In addition, the model could provide the ensemble of possible 3D structures for a short RNA at a given temperature/salt condition.

  13. Dual-use tools and systematics-aware analysis workflows in the ATLAS Run-II analysis model

    E-Print Network [OSTI]

    FARRELL, Steven; The ATLAS collaboration

    2015-01-01T23:59:59.000Z

    The ATLAS analysis model has been overhauled for the upcoming run of data collection in 2015 at 13 TeV. One key component of this upgrade was the Event Data Model (EDM), which now allows for greater flexibility in the choice of analysis software framework and provides powerful new features that can be exploited by analysis software tools. A second key component of the upgrade is the introduction of a dual-use tool technology, which provides abstract interfaces for analysis software tools to run in either the Athena framework or a ROOT-based framework. The tool interfaces, including a new interface for handling systematic uncertainties, have been standardized for the development of improved analysis workflows and consolidation of high-level analysis tools. This presentation will cover the details of the dual-use tool functionality, the systematics interface, and how these features fit into a centrally supported analysis environment.

  14. Model test of wave forces on a structurally dense jacket platform

    SciTech Connect (OSTI)

    Gu, G.Z.; Parsley, M.A.; Berek, E.P.; Calvo, J.J.; Johnson, R.C.; Petruska, D.J. [Mobil Technology Co., Dallas, TX (United States)

    1996-12-31T23:59:59.000Z

    In the Gulf of Mexico, there are a significant number of jacket platforms built in the 1950`s and 60`s which are still in operation. Typically, these platforms have a large number of closely spaced legs and densely arranged bracing members. Since most of these platforms are beyond their design lives but the reservoirs are still producing, their safety, serviceability and fitness-for-purpose must be re-assessed in order to continue producing from them. During Mobil`s in-house re-qualification effort, it was found that the predictions by structural analysis programs (such as SACS and KARMA) were inconsistent with the platform inspection results. The programs predicted a large number of joint can failures during design storms (such as hurricane Andrew), but underwater inspections indicated only few failures had actually occurred. It was apparent that the procedure used for the assessment was conservative--either the wave loads the platforms experienced during the hurricanes were overestimated and/or the structural resistances were underestimated. This paper addresses the wave load issue. To calibrate the force algorithms typically used in structural analysis programs, a model test of a typical aging jacket platform was conducted in the wave basin.

  15. [NeII] emission line profiles from photoevaporative disc winds

    E-Print Network [OSTI]

    R. D. Alexander

    2008-09-01T23:59:59.000Z

    I model profiles of the [NeII] forbidden emission line at 12.81um, emitted by photoevaporative winds from discs around young, solar-mass stars. The predicted line luminosities (~ 1E-6 Lsun) are consistent with recent data, and the line profiles vary significantly with disc inclination. Edge-on discs show broad (30-40km/s) double-peaked profiles, due to the rotation of the disc, while in face-on discs the structure of the wind results in a narrower line (~10km/s) and a significant blue-shift (5-10km/s). These results suggest that observations of [NeII] line profiles can provide a direct test of models of protoplanetary disc photoevaporation.

  16. Modelled Black Carbon Radiative Forcing and Atmospheric Lifetime in AeroCom Phase II Constrained by Aircraft Observations

    SciTech Connect (OSTI)

    Samset, B. H.; Myhre, G.; Herber, Andreas; Kondo, Yutaka; Li, Shao-Meng; Moteki, N.; Koike, Makoto; Oshima, N.; Schwarz, Joshua P.; Balkanski, Y.; Bauer, S.; Bellouin, N.; Berntsen, T.; Bian, Huisheng; Chin, M.; Diehl, Thomas; Easter, Richard C.; Ghan, Steven J.; Iversen, T.; Kirkevag, A.; Lamarque, Jean-Francois; Lin, Guang; Liu, Xiaohong; Penner, Joyce E.; Schulz, M.; Seland, O.; Skeie, R. B.; Stier, P.; Takemura, T.; Tsigaridis, Kostas; Zhang, Kai

    2014-11-27T23:59:59.000Z

    Black carbon (BC) aerosols absorb solar radiation, and are generally held to exacerbate global warming through exerting a positive radiative forcing1. However, the total contribution of BC to the ongoing changes in global climate is presently under debate2-8. Both anthropogenic BC emissions and the resulting spatial and temporal distribution of BC concentration are highly uncertain2,9. In particular, long range transport and processes affecting BC atmospheric lifetime are poorly understood, leading to large estimated uncertainty in BC concentration at high altitudes and far from emission sources10. These uncertainties limit our ability to quantify both the historical, present and future anthropogenic climate impact of BC. Here we compare vertical profiles of BC concentration from four recent aircraft measurement campaigns with 13 state of the art aerosol models, and show that recent assessments may have overestimated present day BC radiative forcing. Further, an atmospheric lifetime of BC of less than 5 days is shown to be essential for reproducing observations in transport dominated remote regions. Adjusting model results to measurements in remote regions, and at high altitudes, leads to a 25% reduction in the multi-model median direct BC forcing from fossil fuel and biofuel burning over the industrial era.

  17. Modeling Improvements for Air Source Heat Pumps using Different Expansion Devices at Varied Charge Levels Part II

    SciTech Connect (OSTI)

    Shen, Bo [ORNL

    2011-01-01T23:59:59.000Z

    This paper describes steady-state performance simulations performed on a 3-ton R-22 split heat pump in heating mode. In total, 150 steady-state points were simulated, which covers refrigerant charge levels from 70 % to 130% relative to the nominal value, the outdoor temperatures at 17 F (-8.3 C), 35 F (1.7 C) and 47 F (8.3 C), indoor air flow rates from 60% to 150% of the rated air flow rate, and two types of expansion devices (fixed orifice and thermostatic expansion valve). A charge tuning method, which is to calibrate the charge inventory model based on measurements at two operation conditions, was applied and shown to improve the system simulation accuracy significantly in an extensive range of charge levels. In addition, we discuss the effects of suction line accumulator in modeling a heat pump system using either a fixed orifice or thermal expansion valve. Last, we identify the issue of refrigerant mass flow mal-distribution at low charge levels and propose an improved modeling approach.

  18. The Magneto Hydro Dynamical Model of KHz Quasi Periodic Oscillations in Neutron Star Low Mass X-ray Binaries (II)

    E-Print Network [OSTI]

    Shi, Chang-Sheng; Li, Xiang-Dong

    2014-01-01T23:59:59.000Z

    We study the kilohertz quasi-periodic oscillations (kHz QPOs) in neutron star low mass X-ray binaries (LMXBs) with a new magnetohydrodynamics (MHD) model, in which the compressed magnetosphere is considered. The previous MHD model (Shi \\& Li 2009) is re-examined and the relation between the frequencies of the kHz QPOs and the accretion rate in LMXBs is obtained. Our result agrees with the observations of six sources (4U 0614+09, 4U 1636--53, 4U 1608--52, 4U 1915--15, 4U 1728--34, XTE 1807--294) with measured spins. In this model the kHz QPOs originate from the MHD waves in the compressed magnetosphere. The single kHz QPOs and twin kHz QPOs are produced in two different parts of the accretion disk and the boundary is close to the corotation radius. The lower QPO frequency in a frequency-accretion rate diagram is cut off at low accretion rate and the twin kHz QPOs encounter a top ceiling at high accretion rate due to the restriction of innermost stable circular orbit.

  19. Using a dual plasma process to produce cobalt--polypyrrole catalysts for the oxygen reduction reaction in fuel cells -- part II: analysing the chemical structure of the films

    E-Print Network [OSTI]

    Walter, Christian; Vyalikh, Denis; Brüser, Volker; Quade, Antje; Weltmann, Klaus-Dieter; 10.1149/2.043209jes

    2012-01-01T23:59:59.000Z

    The chemical structure of cobalt--polypyrrole -- produced by a dual plasma process -- is analysed by means of X-ray photoelectron spectroscopy (XPS), near edge X-ray absorption spectroscopy (NEXAFS), X-ray diffraction (XRD), energy-dispersive X-Ray spectroscopy (EDX) and extended x-ray absorption spectroscopy (EXAFS).It is shown that only nanoparticles of a size of 3\\,nm with the low temperature crystal structure of cobalt are present within the compound. Besides that, cobalt--nitrogen and carbon--oxygen structures are observed. Furthermore, more and more cobalt--nitrogen structures are produced when increasing the magnetron power. Linking the information on the chemical structure to the results about the catalytic activity of the films -- which are presented in part I of this contribution -- it is concluded that the cobalt--nitrogen structures are the probable catalytically active sites. The cobalt--nitrogen bond length is calculated as 2.09\\,\\AA\\ and the carbon--nitrogen bond length as 1.38\\,\\AA.

  20. HOT X-RAY CORONAE AROUND MASSIVE SPIRAL GALAXIES: A UNIQUE PROBE OF STRUCTURE FORMATION MODELS

    SciTech Connect (OSTI)

    Bogdan, Akos; Forman, William R.; Vogelsberger, Mark; Sijacki, Debora; Mazzotta, Pasquale; Kraft, Ralph P.; Jones, Christine; David, Laurence P. [Harvard Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Bourdin, Herve [Dipartimento di Fisica, Universita degli Studi di Roma 'Tor Vergata', via della Ricerca Scientifica 1, I-00133 Roma (Italy); Gilfanov, Marat; Churazov, Eugene, E-mail: abogdan@cfa.harvard.edu [Max-Planck-Institut fuer Astrophysik, Karl-Schwarzschild-str. 1, D-85748 Garching (Germany)

    2013-08-01T23:59:59.000Z

    Luminous X-ray gas coronae in the dark matter halos of massive spiral galaxies are a fundamental prediction of structure formation models, yet only a few such coronae have been detected so far. In this paper, we study the hot X-ray coronae beyond the optical disks of two 'normal' massive spirals, NGC 1961 and NGC 6753. Based on XMM-Newton X-ray observations, hot gaseous emission is detected to {approx}60 kpc-well beyond their optical radii. The hot gas has a best-fit temperature of kT {approx} 0.6 keV and an abundance of {approx}0.1 Solar, and exhibits a fairly uniform distribution, suggesting that the quasi-static gas resides in hydrostatic equilibrium in the potential well of the galaxies. The bolometric luminosity of the gas in the (0.05-0.15)r{sub 200} region (r{sub 200} is the virial radius) is {approx}6 Multiplication-Sign 10{sup 40} erg s{sup -1} for both galaxies. The baryon mass fractions of NGC 1961 and NGC 6753 are f{sub b,NGC1961} {approx} 0.11 and f{sub b,NGC6753} {approx} 0.09, which values fall short of the cosmic baryon fraction. The hot coronae around NGC 1961 and NGC 6753 offer an excellent basis to probe structure formation simulations. To this end, the observations are confronted with the moving mesh code AREPO and the smoothed particle hydrodynamics code GADGET. Although neither model gives a perfect description, the observed luminosities, gas masses, and abundances favor the AREPO code. Moreover, the shape and the normalization of the observed density profiles are better reproduced by AREPO within {approx}0.5r{sub 200}. However, neither model incorporates efficient feedback from supermassive black holes or supernovae, which could alter the simulated properties of the X-ray coronae. With the further advance of numerical models, the present observations will be essential in constraining the feedback effects in structure formation simulations.

  1. The Expanding Nebular Remnant of the Recurrent Nova RS Ophiuchi (2006): II. Modeling of Combined Hubble Space Telescope Imaging and Ground-based Spectroscopy

    E-Print Network [OSTI]

    Ribeiro, V A R M; Darnley, M J; Harman, D J; Newsam, A M; O'Brien, T J; Bohigas, J; Echevarría, J M; Bond, H E; Chavushyan, V H; Costero, R; Coziol, R; Evans, A; Eyres, S P S; León-Tavares, J; Richer, M G; Tovmassian, G; Starrfield, S; Zharikov, S V

    2009-01-01T23:59:59.000Z

    We report Hubble Space Telescope imaging, obtained 155 and 449 days after the 2006 outburst of the recurrent nova RS Ophiuchi, together with ground-based spectroscopic observations, obtained from the Observatorio Astron\\'omico Nacional en San Pedro M\\'artir, Baja California, M\\'exico and at the Observatorio Astrof\\'isico Guillermo Haro, at Cananea, Sonora, M\\'exico. The observations at the first epoch were used as inputs to model the geometry and kinematic structure of the evolving RS Oph nebular remnant. We find that the modeled remnant comprises two distinct co-aligned bipolar components; a low-velocity, high-density innermost (hour glass) region and a more extended, high-velocity (dumbbell) structure. This overall structure is in agreement with that deduced from radio observations and optical interferometry at earlier epochs. We find that the asymmetry observed in the west lobe is an instrumental effect caused by the profile of the HST filter and hence demonstrate that this lobe is approaching the observer...

  2. Energy- and flux-budget turbulence closure model for stably stratified flows. Part II: the role of internal gravity waves

    E-Print Network [OSTI]

    S. S. Zilitinkevich; T. Elperin; N. Kleeorin; V. L'vov; I. Rogachevskii

    2009-08-18T23:59:59.000Z

    We advance our prior energy- and flux-budget turbulence closure model (Zilitinkevich et al., 2007, 2008) for the stably stratified atmospheric flows and extend it accounting for additional vertical flux of momentum and additional productions of turbulent kinetic energy, turbulent potential energy (TPE) and turbulent flux of potential temperature due to large-scale internal gravity waves (IGW). Main effects of IGW are following: the maximal value of the flux Richardson number (universal constant 0.2-0.25 in the no-IGW regime) becomes strongly variable. In the vertically homogeneous stratification, it increases with increasing wave energy and can even exceed 1. In the heterogeneous stratification, when IGW propagate towards stronger stratification, the maximal flux Richardson number decreases with increasing wave energy, reaches zero and then becomes negative. In other words, the vertical flux of potential temperature becomes counter-gradient. IGW also reduce anisotropy of turbulence and increase the share of TPE in the turbulent total energy. Depending on the direction (downward or upward), IGW either strengthen or weaken the total vertical flux of momentum. Predictions from the proposed model are consistent with available data from atmospheric and laboratory experiments, direct numerical simulations and large-eddy simulations.

  3. FLUID-STRUCTURE INTERACTION MODELS OF THE MITRAL VALVE: FUNCTION IN NORMAL AND PATHOLOGIC STATES

    SciTech Connect (OSTI)

    Kunzelman, K. S.; Einstein, Daniel R.; Cochran, R. P.

    2007-08-29T23:59:59.000Z

    Successful mitral valve repair is dependent upon a full understanding of normal and abnormal mitral valve anatomy and function. Computational analysis is one such method that can be applied to simulate mitral valve function in order to analyze the roles of individual components, and evaluate proposed surgical repair. We developed the first three-dimensional, finite element (FE) computer model of the mitral valve including leaflets and chordae tendineae, however, one critical aspect that has been missing until the last few years was the evaluation of fluid flow, as coupled to the function of the mitral valve structure. We present here our latest results for normal function and specific pathologic changes using a fluid-structure interaction (FSI) model. Normal valve function was first assessed, followed by pathologic material changes in collagen fiber volume fraction, fiber stiffness, fiber splay, and isotropic stiffness. Leaflet and chordal stress and strain, and papillary muscle force was determined. In addition, transmitral flow, time to leaflet closure, and heart valve sound were assessed. Model predictions in the normal state agreed well with a wide range of available in-vivo and in-vitro data. Further, pathologic material changes that preserved the anisotropy of the valve leaflets were found to preserve valve function. By contrast, material changes that altered the anisotropy of the valve were found to profoundly alter valve function. The addition of blood flow and an experimentally driven microstructural description of mitral tissue represent significant advances in computational studies of the mitral valve, which allow further insight to be gained. This work is another building block in the foundation of a computational framework to aid in the refinement and development of a truly noninvasive diagnostic evaluation of the mitral valve. Ultimately, it represents the basis for simulation of surgical repair of pathologic valves in a clinical and educational setting.

  4. Optimization of the GB/SA Solvation Model for Predicting the Structure of Surface Loops in Proteins

    E-Print Network [OSTI]

    Meirovitch, Hagai

    Optimization of the GB/SA Solvation Model for Predicting the Structure of Surface Loops in ProteinsVed: October 10, 2005; In Final Form: December 1, 2005 Implicit solvation models are commonly optimized the force field is sometimes not considered. In previous studies, we have developed an optimization

  5. Effect of temperature on the optical and structural properties of hexadecylamine capped ZnS nanoparticles using Zinc(II) N-ethyl-N-phenyldithiocarbamate as single source precursor

    SciTech Connect (OSTI)

    Onwudiwe, Damian C., E-mail: dconwudiwe@webmail.co.za [Chemical Resource Beneficiation, North-West University, Private Bag X6001, Potchefstroom 2520 (South Africa); Strydom, Christien [Chemical Resource Beneficiation, North-West University, Private Bag X6001, Potchefstroom 2520 (South Africa)] [Chemical Resource Beneficiation, North-West University, Private Bag X6001, Potchefstroom 2520 (South Africa); Oluwafemi, Oluwatobi S., E-mail: oluwafemi.oluwatobi@gmail.com [Department of Chemistry and Chemical Technology, Walter Sisulu University, Mthatha Campus, Private Bag X1, Mthatha (South Africa); Songca, Sandile P. [Faculty of Science, Engineering and Technology, Walter Sisulu University, P.O. Box 19712, Tecoma, East London (South Africa)] [Faculty of Science, Engineering and Technology, Walter Sisulu University, P.O. Box 19712, Tecoma, East London (South Africa)

    2012-12-15T23:59:59.000Z

    Graphical abstract: Display Omitted Highlights: ? HDA-capped ZnS nanoparticles were synthesized via thermolysis of a single source precursor. ? Zinc(II) N-ethyl-N-phenyldithiocarbamate was used as the single source precursor. ? The growth temperature was varied to study the optical properties of the nanocrystals. ? Change in growth temperature affects the structural properties of the ZnS nanoparticles. ? Hexagonal wurtzite phase was obtained at lower temperatures while cubic sphalerite phase was obtained at higher growth temperatures. -- Abstract: Reported in this work is the synthesis of HDA (hexadecylamine)-capped ZnS nanoparticles by a single source route using Zinc(II) N-ethyl-N-phenyldithiocarbamate as a precursor. By varying the growth temperature, the temporal evolution of the optical properties and morphology of the nanocrystals were investigated. The as-synthesized nanoparticles were characterized using UV–vis absorption and photoluminescence (PL) spectroscopy, transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM) and X-ray diffraction (XRD). All the particles exhibited quantum confinement in their optical properties with band edge emission at the early stage of the reaction. The XRD showed transition from hexagonal wurtzite phase to cubic sphalerite phase as the growth temperature increases. The TEM image showed that the particles are small and spherical in shape while the HRTEM image confirmed the crystalline nature of the material.

  6. Modeling the Structural Response from a Propagating High Explosive Using Smooth Particle Hydrodynamics

    SciTech Connect (OSTI)

    Margraf, J

    2012-06-12T23:59:59.000Z

    This report primarily concerns the use of two massively parallel finite element codes originally written and maintained at Lawrence Livermore National Laboratory. ALE3D is an explicit hydrodynamics code commonly employed to simulate wave propagation from high energy scenarios and the resulting interaction with nearby structures. This coupled response ensures that a structure is accurately applied with a blast loading varying both in space and time. Figure 1 illustrates the radial outward propagation of a pressure wave due to a center detonated spherical explosive originating from the lower left. The radial symmetry seen in this scenario is lost when instead a cylindrocal charge is detonated. Figure 2 indicates that a stronger, faster traveling pressure wave occurs in the direction of the normal axis to the cylinder. The ALE3D name is derived because of the use of arbitrary-Lagrange-Eulerian elements in which the mesh is allowed to advect; a process through which the mesh is modified to alleviate tanlging and general mesh distortion often cuased by high energy scenarios. The counterpart to an advecting element is a Lagrange element, whose mesh moves with the material. Ideally all structural components are kept Lagrange as long as possible to preserve accuracy of material variables and minimize advection related errors. Advection leads to mixed zoning, so using structural Lagrange elements also improves the visualization when post processing the results. A simplified representation of the advection process is shown in Figure 3. First the mesh is distorted due to material motion during the Lagrange step. The mesh is then shifted to an idealized and less distorted state to prevent irregular zones caused by the Lagrange motion. Lastly, the state variables are remapped to the elements of the newly constructed mesh. Note that Figure 3 represents a purely Eulerian mesh relaxation because the mesh is relocated back to the pre-Lagrange position. This is the case when the material flows through a still mesh. This is not typically done in an ALE3D analysis, especially if Lagrange elements exist. Deforming Lagrange elements would certainly tangle with a Eulerian mesh eventually. The best method in this case is to have an advecting mesh positioned as some relaxed version of the pre and post Lagrange step; this gives the best opportunity of modeling a high energy event with a combination of Lagrange and ALE elements. Dyne3D is another explicit dynamic analysis code, ParaDyn being the parallel version. ParaDyn is used for predicting the transient response of three dimensional structures using Lagrangian solid mechanics. Large deformation and mesh tangling is often resolved through the use of an element deletion scheme. This is useful to accommodate component failure, but if it is done purely as a means to preserve a useful mesh it can lead to problems because it does not maintain continuity of the material bulk response. Whatever medium exists between structural components is typically not modeled in ParaDyn. Instead, a structure either has a known loading profile applied or given initial conditions. The many included contact algorithms can calculate the loading response of materials if and when they collide. A recent implementation of an SPH module in which failed or deleted material nodes are converted to independent particles is currently being utilized for a variety of spall related problems and high velocity impact scenarios. Figure 4 shows an example of a projectile, given an initial velocity, and how it fails the first plate which generates SPH particles which then interact with and damage the second plate.

  7. Solving the 3d Ising Model with the Conformal Bootstrap II. c-Minimization and Precise Critical Exponents

    E-Print Network [OSTI]

    Sheer El-Showk; Miguel F. Paulos; David Poland; Slava Rychkov; David Simmons-Duffin; Alessandro Vichi

    2014-06-04T23:59:59.000Z

    We use the conformal bootstrap to perform a precision study of the operator spectrum of the critical 3d Ising model. We conjecture that the 3d Ising spectrum minimizes the central charge c in the space of unitary solutions to crossing symmetry. Because extremal solutions to crossing symmetry are uniquely determined, we are able to precisely reconstruct the first several Z2-even operator dimensions and their OPE coefficients. We observe that a sharp transition in the operator spectrum occurs at the 3d Ising dimension Delta_sigma=0.518154(15), and find strong numerical evidence that operators decouple from the spectrum as one approaches the 3d Ising point. We compare this behavior to the analogous situation in 2d, where the disappearance of operators can be understood in terms of degenerate Virasoro representations.

  8. Infrared behavior and fixed-point structure in the compactified Ginzburg--Landau model

    E-Print Network [OSTI]

    C. A. Linhares; A. P. C. Malbouisson; M. L. Souza

    2011-02-07T23:59:59.000Z

    We consider the Euclidean $N$-component Ginzburg--Landau model in $D$ dimensions, of which $d$ ($d\\leq D$) of them are compactified. As usual, temperature is introduced through the mass term in the Hamiltonian. This model can be interpreted as describing a system in a region of the $D$-dimensional space, limited by $d$ pairs of parallel planes, orthogonal to the coordinates axis $x_1,\\,x_2,\\,...,\\,x_d$. The planes in each pair are separated by distances $L_1,\\;L_2,\\; ...,\\,L_d$. For $D=3$, from a physical point of view, the system can be supposed to describe, in the cases of $d=1$, $d=2$, and $d=3$, respectively, a superconducting material in the form of a film, of an infinitely long wire having a retangular cross-section and of a brick-shaped grain. We investigate in the large-$N$ limit the fixed-point structure of the model, in the absence or presence of an external magnetic field. An infrared-stable fixed point is found, whether of not an external magnetic field is applied, but for different ranges of values of the space dimension $ D$.

  9. Synergetic effects of II-VI sensitization upon TiO{sub 2} for photoelectrochemical water splitting; a tri-layered structured scheme

    SciTech Connect (OSTI)

    Mumtaz, Asad, E-mail: asad-032@yahoo.com [Department of Fundamental and Applied Sciences, University Teknologi PETRONAS (Malaysia); Mohamed, Norani Muti, E-mail: noranimuti-mohamed@petronas.com.my [Centre of Innovative Nanostructures and Nanodevices (COINN), Universiti Teknologi PETRONAS (Malaysia)

    2014-10-24T23:59:59.000Z

    World's energy demands are growing on a higher scale increasing the need of more reliable and long term renewable energy resources. Efficient photo-electrochemical (PEC) devices based on novel nano-structured designs for solar-hydrogen generation need to be developed. This study provides an insight of the tri-layered-TiO2 based nanostructures. Observing the mechanism of hydrogen production, the comparison of the structural order during the synthesis is pronounced. The sequence in the tri-layered structure affects the photogenerated electron (e{sup ?}) and hole (h{sup +}) pair transfer and separation. It is also discussed that not only the semiconductors band gaps alignment is important with respect to the water redox potential but also the interfacial regions. Quasi-Fermi-level adjustment at the interfacial regions plays a key role in deciding the solar to hydrogen efficiency. More efficient multicomponent semiconductor nano-design (MCSN) could be developed with the approach given in this study.

  10. Singularity free analysis of a self-similar model of proton structure function at small \\textit{x}

    E-Print Network [OSTI]

    Baishali Saikia; D. K. Choudhury

    2014-09-01T23:59:59.000Z

    In this paper we make re-analysis of a self-similarity based model of the proton structure function at small \\textit{x} pursued in recent years. The additional assumption is that it should be singularity free in the entire kinematic range $0analysis indicates that the model is valid in a more restrictive range of $Q^{2}$. We also discuss the possibility of incorporation of Froissart saturation condition in the model.

  11. Turbulence in a 3D deflagration model for type Ia SNe: II. Intermittency and the deflagration-to-detonation transition probability

    E-Print Network [OSTI]

    Schmidt, W; Niemeyer, J C; Roepke, F K; Hillebrandt, W

    2009-01-01T23:59:59.000Z

    The delayed detonation model describes the observational properties of the majority of type Ia supernovae very well. Using numerical data from a three-dimensional deflagration model for type Ia supernovae, the intermittency of the turbulent velocity field and its implications on the probability of a deflagration-to-detonation (DDT) transition are investigated. From structure functions of the turbulent velocity fluctuations, we determine intermittency parameters based on the log-normal and the log-Poisson models. On the other hand, the analysis of the turbulent velocity fluctuations in the vicinity of the flame front by Roepke suggests a much higher probability of large velocity fluctuations on the grid scale in comparison to the log-normal intermittency model. Following Pan et al., we computed probability density functions for a DDT for the different distributions. Assuming that a DDT can occur in the stirred flame regime, as proposed by Woosley et al., the log-normal model would imply a delayed detonation be...

  12. CHAPTER: In-Situ Characterization of Stimulating Microelectrode Arrays: Study of an Idealized Structure Based on Argus II Retinal implantsBOOK TITLE: Implantable Neural Prostheses 2: Techniques and Engineering Approaches, D.M. Zhou and E. Greenbaum, Eds., Springer, NY 2009

    SciTech Connect (OSTI)

    Greenbaum, Elias [ORNL; Sanders, Charlene A [ORNL; Kandagor, Vincent [ORNL

    2010-01-01T23:59:59.000Z

    The development of a retinal prosthesis for artificial sight includes a study of the factors affecting the structural and functional stability of chronically implanted microelectrode arrays. Although neuron depolarization and propagation of electrical signals have been studied for nearly a century, the use of multielectrode stimulation as a proposed therapy to treat blindness is a frontier area of modern ophthalmology research. Mapping and characterizing the topographic information contained in the electric field potentials and understanding how this information is transmitted and interpreted in the visual cortex is still very much a work in progress. In order to characterize the electrical field patterns generated by the device, an in vitro prototype that mimics several of the physical and chemical parameters of the in vivo visual implant device was fabricated. We carried out multiple electrical measurements in a model 'eye,' beginning with a single electrode, followed by a 9-electrode array structure, both idealized components based on the Argus II retinal implants. Correlating the information contained in the topographic features of the electric fields with psychophysical testing in patients may help reduce the time required for patients to convert the electrical patterns into graphic signals.

  13. Structural genomics of protein phosphatases Steven C. Almo Jeffrey B. Bonanno J. Michael Sauder Spencer Emtage

    E-Print Network [OSTI]

    Sali, Andrej

    structure modeling, a PSI materials repository for central- ized archiving and distribution of reagents Laboratory, Upton, NY, USA M. R. Chance Case Western Reserve University, Cleveland, OH, USA A. Sali structures. PSI-II employs a balanced target selection strategy that continues to emphasize the impor- tance

  14. Artificial Photosynthesis II -

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

    II - Artificial Photosynthesis II - Joint Center for Artificial Photosynthesis (JCAP) Simulations NathanLewis.png Schematic of a photoelectrochemical cell being designed to harness...

  15. The structure of the Sun and the planets of the solar system from the viewpoint of mechanics of the inertless mass II

    E-Print Network [OSTI]

    I. Z. Shkurchenko

    2007-01-23T23:59:59.000Z

    The second part of the monograph contains the investigation of the structure of the Sun and planets of the solar system. This monograph is addressed to specialists in the field of theoretical and practical hydrodynamics and adjacent sciences. It will be useful for astronomers, meteorologists and geologists.

  16. The Structure of Water in Crystalline Aluminophosphates: Isolated Water and Intermolecular Clusters Probed by Raman Spectroscopy, NMR and Structural Modeling

    E-Print Network [OSTI]

    Goddard III, William A.

    The Structure of Water in Crystalline Aluminophosphates: Isolated Water and Intermolecular Clusters are used to elucidate the properties of water in Metavariscite, AlPO4-H3, AlPO4-8 and VPI-5. The framework density of the aluminophosphates decreases along this sequence, the pore size increases, and the water

  17. Modeling electronic structure and transport properties of graphene with resonant scattering centers

    E-Print Network [OSTI]

    Shengjun Yuan; Hans De Raedt; Mikhail I. Katsnelson

    2010-09-17T23:59:59.000Z

    We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms are based on the numerical solution of the time-dependent Schr\\"{o}dinger equation and applied to calculate the density of states, \\textit{quasieigenstates}, AC and DC conductivities of large samples containing millions of atoms. Our results give a consistent picture of evolution of electronic structure and transport properties of functionalized graphene in a broad range of concentration of impurities (from graphene to graphane), and show that the formation of impurity band is the main factor determining electrical and optical properties at intermediate impurity concentrations, together with a gap opening when approaching the graphane limit.

  18. The variation of the fine structure constant: testing the dipole model with thermonuclear supernovae

    E-Print Network [OSTI]

    Kraiselburd, Lucila; Negrelli, Carolina; Berro, Enrique García

    2014-01-01T23:59:59.000Z

    The large-number hypothesis conjectures that fundamental constants may vary. Accordingly, the spacetime variation of fundamental constants has been an active subject of research for decades. Recently, using data obtained with large telescopes a phenomenological model in which the fine structure constant might vary spatially has been proposed. We test whether this hypothetical spatial variation of {\\alpha}, which follows a dipole law, is compatible with the data of distant thermonuclear supernovae. Unlike previous works, in our calculations we consider not only the variation of the luminosity distance when a varying {\\alpha} is adopted, but we also take into account the variation of the peak luminosity of Type Ia supernovae resulting from a variation of {\\alpha}. This is done using an empirical relation for the peak bolometric magnitude of thermonuclear supernovae that correctly reproduces the results of detailed numerical simulations. We find that there is no significant difference between the several phenome...

  19. TURBULENCE IN A THREE-DIMENSIONAL DEFLAGRATION MODEL FOR TYPE Ia SUPERNOVAE. II. INTERMITTENCY AND THE DEFLAGRATION-TO-DETONATION TRANSITION PROBABILITY

    SciTech Connect (OSTI)

    Schmidt, W.; Niemeyer, J. C. [Institut fuer Astrophysik, Universitaet Goettingen, Friedrich-Hund-Platz 1, D-37077 Goettingen (Germany); Ciaraldi-Schoolmann, F. [Lehrstuhl fuer Astronomie und Astrophysik, Universitaet Wuerzburg, Am Hubland, D-97074 Wuerzburg (Germany); Roepke, F. K.; Hillebrandt, W., E-mail: schmidt@astro.physik.uni-goettingen.d [Max-Planck-Institut fuer Astrophysik, Karl-Schwarzschild-Str. 1, D-85741 Garching (Germany)

    2010-02-20T23:59:59.000Z

    The delayed detonation model describes the observational properties of the majority of Type Ia supernovae very well. Using numerical data from a three-dimensional deflagration model for Type Ia supernovae, the intermittency of the turbulent velocity field and its implications on the probability of a deflagration-to-detonation (DDT) transition are investigated. From structure functions of the turbulent velocity fluctuations, we determine intermittency parameters based on the log-normal and the log-Poisson models. The bulk of turbulence in the ash regions appears to be less intermittent than predicted by the standard log-normal model and the She-Leveque model. On the other hand, the analysis of the turbulent velocity fluctuations in the vicinity of the flame front by Roepke suggests a much higher probability of large velocity fluctuations on the grid scale in comparison to the log-normal intermittency model. Following Pan et al., we computed probability density functions for a DDT for the different distributions. The determination of the total number of regions at the flame surface, in which DDTs can be triggered, enables us to estimate the total number of events. Assuming that a DDT can occur in the stirred flame regime, as proposed by Woosley et al., the log-normal model would imply a delayed detonation between 0.7 and 0.8 s after the beginning of the deflagration phase for the multi-spot ignition scenario used in the simulation. However, the probability drops to virtually zero if a DDT is further constrained by the requirement that the turbulent velocity fluctuations reach about 500 km s{sup -1}. Under this condition, delayed detonations are only possible if the distribution of the velocity fluctuations is not log-normal. From our calculations follows that the distribution obtained by Roepke allow for multiple DDTs around 0.8 s after ignition at a transition density close to 1 x 10{sup 7} g cm{sup -3}.

  20. Phase II Corrective Action Investigation Plan for Corrective Action Units 101 and 102: Central and Western Pahute Mesa, Nevada Test Site, Nye County, Nevada, Revision 2 with ROTC 1 and 2

    SciTech Connect (OSTI)

    Marutzky, Sam

    2009-07-01T23:59:59.000Z

    This Phase II CAIP describes new work needed to potentially reduce uncertainty and achieve increased confidence in modeling results. This work includes data collection and data analysis to refine model assumptions, improve conceptual models of flow and transport in a complex hydrogeologic setting, and reduce parametric and structural uncertainty. The work was prioritized based on the potential to reduce model uncertainty and achieve an acceptable level of confidence in the model predictions for flow and transport, leading to model acceptance by NDEP and completion of the Phase II CAI stage of the UGTA strategy.

  1. The metal carbonyl promoted rearrangement of aryl-cyclopropenes. II. Approaches towards a model system of dynemicin A

    SciTech Connect (OSTI)

    Cohen, D.H.

    1992-01-01T23:59:59.000Z

    The ability of 3-vinyl- or 3-phenylcyclopropenes to undergo metal carbonyl promoted rearrangement with CO insertion to yield phenol or naphthol derivatives led to investigations using 3-naphthylcyclopropenes with the goal of producing material containing an anthracene carbon framework. Rearrangement of 1-methyl-3-(1,4-dimethoxynaphth-2-yl)cyclopropene, however, only gave material containing the phenanthrene framework. It is the goal of Part I of this thesis to modify a naphthylcyclopropene so that the metal carbonyl induced rearrangement will yield material containing an anthracene framework. A working hypothesis was put forth that focused on the electronic stabilization of certain aromatic intermediates to explain phenanthrene vs. anthracene formation. Semi-empirical calculations performed on model systems to estimate thermodynamic properties supported the hypothesis. Two naphthoquinone derivatives were prepared based on the hypothesis. In the first case, the cyclopropene substituent is arranged in the 2-position of a naphthoquinone-1,4-bisketal; in the second case, the cyclpropene is at C-2 in a 1,4-naphthoquinone. In both cases, the alkene unit (C-2/C-4) is less aromatic' than an alkene unit in a naphthalene ring, and the expected rearrangement can give only the anthraquinone skeleton. Investigations with the bisketal were unsucessful; attempted rearrangement at low temperatures gave only recovered starting material and experiments at higher temperatures polymerized the sensitive cyclopropene. Investigations with the 1,4-naphthoquinone proved modestly successful. Metal carbonyl catalyzed rearrangement with CO insertion to yield anthraquinone was observed. Additionally, low temperature conditions were developed that may prove useful in future work.

  2. Ground motion modeling of Hayward fault scenario earthquakes II:Simulation of long-period and broadband ground motions

    SciTech Connect (OSTI)

    Aagaard, B T; Graves, R W; Rodgers, A; Brocher, T M; Simpson, R W; Dreger, D; Petersson, N A; Larsen, S C; Ma, S; Jachens, R C

    2009-11-04T23:59:59.000Z

    We simulate long-period (T > 1.0-2.0 s) and broadband (T > 0.1 s) ground motions for 39 scenarios earthquakes (Mw 6.7-7.2) involving the Hayward, Calaveras, and Rodgers Creek faults. For rupture on the Hayward fault we consider the effects of creep on coseismic slip using two different approaches, both of which reduce the ground motions compared with neglecting the influence of creep. Nevertheless, the scenario earthquakes generate strong shaking throughout the San Francisco Bay area with about 50% of the urban area experiencing MMI VII or greater for the magnitude 7.0 scenario events. Long-period simulations of the 2007 Mw 4.18 Oakland and 2007 Mw 4.5 Alum Rock earthquakes show that the USGS Bay Area Velocity Model version 08.3.0 permits simulation of the amplitude and duration of shaking throughout the San Francisco Bay area, with the greatest accuracy in the Santa Clara Valley (San Jose area). The ground motions exhibit a strong sensitivity to the rupture length (or magnitude), hypocenter (or rupture directivity), and slip distribution. The ground motions display a much weaker sensitivity to the rise time and rupture speed. Peak velocities, peak accelerations, and spectral accelerations from the synthetic broadband ground motions are, on average, slightly higher than the Next Generation Attenuation (NGA) ground-motion prediction equations. We attribute at least some of this difference to the relatively narrow width of the Hayward fault ruptures. The simulations suggest that the Spudich and Chiou (2008) directivity corrections to the NGA relations could be improved by including a dependence on the rupture speed and increasing the areal extent of rupture directivity with period. The simulations also indicate that the NGA relations may under-predict amplification in shallow sedimentary basins.

  3. A Spectral Element Approach for Modeling of Wave-Based Structural Health Monitoring Systems

    SciTech Connect (OSTI)

    Schulte, Rolf T.; Fritzen, Claus-Peter [Institute of Mechanics and Control-Mechatronics, University of Siegen, Paul-Bonatz-Str. 9-11, 57076 Siegen (Germany)

    2010-09-30T23:59:59.000Z

    During the last decades, guided waves have shown great potential for Structural Health Monitoring (SHM) applications. These waves can be excited and sensed by piezoelectric elements that can be permanently attached onto a structure offering online monitoring capability. As the setup of wave based SHM systems may be very difficult and time consuming there is a growing demand for efficient simulation tools providing the opportunity to design wave based SHM systems in a virtual environment. As usually high frequency waves are used, the associated short wavelength leads to the necessity of a very dense mesh, which makes conventional finite elements not well suited for this purpose. Therefore a flat shell spectral element approach is presented in this contribution. By including electromechanical coupling an SHM system can be simulated entirely from actuator voltage to sensor voltage. The focus of this contribution is the analysis of the effect of delaminations on propagating waves. A forward increment Lagrange multiplier method is used to simulate contact within the delaminated area. A model validation is performed using measured data of an anisotropic CFRP-plate.

  4. Structure and Evolution of Giant Cells in Global Models of Solar Convection

    E-Print Network [OSTI]

    Mark S. Miesch; Allan Sacha Brun; Marc L. Derosa; Juri Toomre

    2007-07-10T23:59:59.000Z

    The global scales of solar convection are studied through three-dimensional simulations of compressible convection carried out in spherical shells of rotating fluid which extend from the base of the convection zone to within 15 Mm of the photosphere. Such modelling at the highest spatial resolution to date allows study of distinctly turbulent convection, revealing that coherent downflow structures associated with giant cells continue to play a significant role in maintaining the strong differential rotation that is achieved. These giant cells at lower latitudes exhibit prograde propagation relative to the mean zonal flow, or differential rotation, that they establish, and retrograde propagation of more isotropic structures with vortical character at mid and high latitudes. The interstices of the downflow networks often possess strong and compact cyclonic flows. The evolving giant-cell downflow systems can be partly masked by the intense smaller scales of convection driven closer to the surface, yet they are likely to be detectable with the helioseismic probing that is now becoming available. Indeed, the meandering streams and varying cellular subsurface flows revealed by helioseismology must be sampling contributions from the giant cells, yet it is difficult to separate out these signals from those attributed to the faster horizontal flows of supergranulation. To aid in such detection, we use our simulations to describe how the properties of giant cells may be expected to vary with depth, how their patterns evolve in time, and analyze the statistical features of correlations within these complex flow fields.

  5. Structure of A=7 iso-triplet $?$ hypernuclei studied with he four-body model

    E-Print Network [OSTI]

    E. Hiyama; Y. Yamamoto; T. Motoba; M. Kamimura

    2009-11-20T23:59:59.000Z

    The structure of the T=1 iso-triplet hypernuclei, $^7_{\\Lambda}$He, $^7_{\\Lambda}$Li and $^7_{\\Lambda}$Be within the framework of an $\\alpha +\\Lambda +N+N$ four-body cluster model is studied. Interactions between the constituent subunits are determined so as to reproduce reasonably well the observed low-energy properties of the $\\alpha N$, $\\alpha \\Lambda$, $\\alpha NN$ and $\\alpha \\Lambda N$ subsystems. Furthermore, the two-body $\\Lambda N$ interaction is adjusted so as to reproduce the $0^+$-$1^+$ splitting of $^4_{\\Lambda}$H. Also a phenomenological $\\Lambda N$ charge symmetry breaking(CSB) interaction is introduced. The $\\Lambda$ binding energy of the ground state in $^7_{\\Lambda}$He is predicted to be 5.16(5.36) MeV with(without) the CSB interaction. The calculated energy splittings of the $3/2^+$-$5/2^+$ states in $^7_{\\Lambda}$He and $^7_{\\Lambda}$Li are around 0.1 MeV. We point out that there is a three-layer structure of the matter distribution, $\\alpha$ particle, $\\Lambda$ skin, proton or neutron halo, in the $^7_{\\Lambda}{\\rm He}(J=5/2^+)$, $^7_{\\Lambda}{\\rm Li}(J=5/2^+)$ and $^7_{\\Lambda}{\\rm Be}(J=1/2^+)$ states.

  6. A New Double-Moment Microphysics Parameterization for Application in Cloud and Climate Models. Part II: Single-Column Modeling of Arctic Clouds

    E-Print Network [OSTI]

    Shupe, Matthew

    of the arctic bound- ary layer, the presence of leads (cracks) in the sea ice surface, the persistence of mixed-phaseA New Double-Moment Microphysics Parameterization for Application in Cloud and Climate Models. Part- dicted cloud boundaries and total cloud fraction compare reasonably well with observations. Cloud phase

  7. Measurement and modeling of Ar/H2/CH4 arc jet discharge chemical vapor deposition reactors II: Modeling of the spatial dependence of expanded

    E-Print Network [OSTI]

    Bristol, University of

    and used to deposit thin films of polycrystalline diamond. This reactor has been the subject of many prior of micro- and nanocrystalline diamond and diamondlike carbon films. The model incorporates gas activation-containing radical species incident on the growing diamond surface C atoms and CH radicals within this reactor

  8. Lattice and off-lattice side chain models of protein folding: Linear time structure prediction better than 86% of optimal

    SciTech Connect (OSTI)

    Hart, W.E.; Istrail, S. [Sandia National Labs., Albuquerque, NM (United States). Algorithms and Discrete Mathematics Dept.

    1996-08-09T23:59:59.000Z

    This paper considers the protein structure prediction problem for lattice and off-lattice protein folding models that explicitly represent side chains. Lattice models of proteins have proven extremely useful tools for reasoning about protein folding in unrestricted continuous space through analogy. This paper provides the first illustration of how rigorous algorithmic analyses of lattice models can lead to rigorous algorithmic analyses of off-lattice models. The authors consider two side chain models: a lattice model that generalizes the HP model (Dill 85) to explicitly represent side chains on the cubic lattice, and a new off-lattice model, the HP Tangent Spheres Side Chain model (HP-TSSC), that generalizes this model further by representing the backbone and side chains of proteins with tangent spheres. They describe algorithms for both of these models with mathematically guaranteed error bounds. In particular, the authors describe a linear time performance guaranteed approximation algorithm for the HP side chain model that constructs conformations whose energy is better than 865 of optimal in a face centered cubic lattice, and they demonstrate how this provides a 70% performance guarantee for the HP-TSSC model. This is the first algorithm in the literature for off-lattice protein structure prediction that has a rigorous performance guarantee. The analysis of the HP-TSSC model builds off of the work of Dancik and Hannenhalli who have developed a 16/30 approximation algorithm for the HP model on the hexagonal close packed lattice. Further, the analysis provides a mathematical methodology for transferring performance guarantees on lattices to off-lattice models. These results partially answer the open question of Karplus et al. concerning the complexity of protein folding models that include side chains.

  9. 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.

  10. Modeling precursor diffusion and reaction of atomic layer deposition in porous structures

    SciTech Connect (OSTI)

    Keuter, Thomas, E-mail: t.keuter@fz-juelich.de; Menzler, Norbert Heribert; Mauer, Georg; Vondahlen, Frank; Vaßen, Robert; Buchkremer, Hans Peter [Forschungszentrum Jülich, Institute of Energy and Climate Research (IEK-1), 52425 Jülich (Germany)

    2015-01-01T23:59:59.000Z

    Atomic layer deposition (ALD) is a technique for depositing thin films of materials with a precise thickness control and uniformity using the self-limitation of the underlying reactions. Usually, it is difficult to predict the result of the ALD process for given external parameters, e.g., the precursor exposure time or the size of the precursor molecules. Therefore, a deeper insight into ALD by modeling the process is needed to improve process control and to achieve more economical coatings. In this paper, a detailed, microscopic approach based on the model developed by Yanguas-Gil and Elam is presented and additionally compared with the experiment. Precursor diffusion and second-order reaction kinetics are combined to identify the influence of the porous substrate's microstructural parameters and the influence of precursor properties on the coating. The thickness of the deposited film is calculated for different depths inside the porous structure in relation to the precursor exposure time, the precursor vapor pressure, and other parameters. Good agreement with experimental results was obtained for ALD zirconiumdioxide (ZrO{sub 2}) films using the precursors tetrakis(ethylmethylamido)zirconium and O{sub 2}. The derivation can be adjusted to describe other features of ALD processes, e.g., precursor and reactive site losses, different growth modes, pore size reduction, and surface diffusion.

  11. Seismic Soil-Structure Interaction Analyses of a Deeply Embedded Model Reactor – SASSI Analyses

    SciTech Connect (OSTI)

    Nie J.; Braverman J.; Costantino, M.

    2013-10-31T23:59:59.000Z

    This report summarizes the SASSI analyses of a deeply embedded reactor model performed by BNL and CJC and Associates, as part of the seismic soil-structure interaction (SSI) simulation capability project for the NEAMS (Nuclear Energy Advanced Modeling and Simulation) Program of the Department of Energy. The SASSI analyses included three cases: 0.2 g, 0.5 g, and 0.9g, all of which refer to nominal peak accelerations at the top of the bedrock. The analyses utilized the modified subtraction method (MSM) for performing the seismic SSI evaluations. Each case consisted of two analyses: input motion in one horizontal direction (X) and input motion in the vertical direction (Z), both of which utilized the same in-column input motion. Besides providing SASSI results for use in comparison with the time domain SSI results obtained using the DIABLO computer code, this study also leads to the recognition that the frequency-domain method should be modernized so that it can better serve its mission-critical role for analysis and design of nuclear power plants.

  12. Exact Coherent Structures and Chaotic Dynamics in a Model of Cardiac Tissue

    E-Print Network [OSTI]

    Greg Byrne; Christopher D. Marcotte; Roman O. Grigoriev

    2015-01-20T23:59:59.000Z

    Unstable nonchaotic solutions embedded in the chaotic attractor can provide significant new insight into chaotic dynamics of both low- and high-dimensional systems. In particular, in turbulent fluid flows, such unstable solutions are referred to as exact coherent structures (ECS) and play an important role in both initiating and sustaining turbulence. The nature of ECS and their role in organizing spatiotemporally chaotic dynamics, however, is reasonably well understood only for systems on relatively small spatial domains lacking continuous Euclidean symmetries. Construction of ECS on large domains and in the presence of continuous translational and/or rotational symmetries remains a challenge. This is especially true for models of excitable media which display spiral turbulence and for which the standard approach to computing ECS completely breaks down. This paper uses the Karma model of cardiac tissue to illustrate a potential approach that could allow computing a new class of ECS on large domains of arbitrary shape by decomposing them into a patchwork of solutions on smaller domains, or tiles, which retain Euclidean symmetries locally.

  13. BNL PREDICTION OF NUPECS FIELD MODEL TESTS OF NPP STRUCTURES SUBJECT TO SMALL TO MODERATE MAGNITUDE EARTHQUAKES.

    SciTech Connect (OSTI)

    XU,J.; COSTANTINO,C.; HOFMAYER,C.; MURPHY,A.; KITADA,Y.

    2003-08-17T23:59:59.000Z

    As part of a verification test program for seismic analysis codes for NPP structures, the Nuclear Power Engineering Corporation (NUPEC) of Japan has conducted a series of field model test programs to ensure the adequacy of methodologies employed for seismic analyses of NPP structures. A collaborative program between the United States and Japan was developed to study seismic issues related to NPP applications. The US Nuclear Regulatory Commission (NRC) and its contractor, Brookhaven National Laboratory (BNL), are participating in this program to apply common analysis procedures to predict both free field and soil-structure interaction (SSI) responses to recorded earthquake events, including embedment and dynamic cross interaction (DCI) effects. This paper describes the BNL effort to predict seismic responses of the large-scale realistic model structures for reactor and turbine buildings at the NUPEC test facility in northern Japan. The NUPEC test program has collected a large amount of recorded earthquake response data (both free-field and in-structure) from these test model structures. The BNL free-field analyses were performed with the CARES program while the SSI analyses were preformed using the SASS12000 computer code. The BNL analysis includes both embedded and excavated conditions, as well as the DCI effect, The BNL analysis results and their comparisons to the NUPEC recorded responses are presented in the paper.

  14. BNL PREDICTION OF NUPECS FIELD MODEL TESTS OF NPP STRUCTURES SUBJECT TO SMALL TO MODERATE MAGNITUDE EARTHQUAKES.

    SciTech Connect (OSTI)

    XU,J.; COSTANTINO,C.; HOFMAYER,C.; MURPHY,A.; KITADA,Y.

    2003-08-17T23:59:59.000Z

    As part of a verification test program for seismic analysis codes for NPP structures, the Nuclear Power Engineering Corporation (NUPEC) of Japan has conducted a series of field model test programs to ensure the adequacy of methodologies employed for seismic analyses of NPP structures. A collaborative program between the United States and Japan was developed to study seismic issues related to NPP applications. The US Nuclear Regulatory Commission (NRC) and its contractor, Brookhaven National Laboratory (BNL), are participating in this program to apply common analysis procedures to predict both free field and soil-structure Interaction (SSI) responses to recorded earthquake events, including embedment and dynamic cross interaction (DCI) effects. This paper describes the BNL effort to predict seismic responses of the large-scale realistic model structures for reactor and turbine buildings at the NUPEC test facility in northern Japan. The NUPEC test program has collected a large amount of recorded earthquake response data (both free-field and in-structure) from these test model structures. The BNL free-field analyses were performed with the CARES program while the SSI analyses were preformed using the SASS12000 computer code. The BNL analysis includes both embedded and excavated conditions, as well as the DCI effect, The BNL analysis results and their comparisons to the NUPEC recorded responses are presented in the paper.

  15. Modeling coupled blast/structure interaction with Zapotec, benchmark calculations for the Conventional Weapon Effects Backfill (CONWEB) tests.

    SciTech Connect (OSTI)

    Bessette, Gregory Carl

    2004-09-01T23:59:59.000Z

    Modeling the response of buried reinforced concrete structures subjected to close-in detonations of conventional high explosives poses a challenge for a number of reasons. Foremost, there is the potential for coupled interaction between the blast and structure. Coupling enters the problem whenever the structure deformation affects the stress state in the neighboring soil, which in turn, affects the loading on the structure. Additional challenges for numerical modeling include handling disparate degrees of material deformation encountered in the structure and surrounding soil, modeling the structure details (e.g., modeling the concrete with embedded reinforcement, jointed connections, etc.), providing adequate mesh resolution, and characterizing the soil response under blast loading. There are numerous numerical approaches for modeling this class of problem (e.g., coupled finite element/smooth particle hydrodynamics, arbitrary Lagrange-Eulerian methods, etc.). The focus of this work will be the use of a coupled Euler-Lagrange (CEL) solution approach. In particular, the development and application of a CEL capability within the Zapotec code is described. Zapotec links two production codes, CTH and Pronto3D. CTH, an Eulerian shock physics code, performs the Eulerian portion of the calculation, while Pronto3D, an explicit finite element code, performs the Lagrangian portion. The two codes are run concurrently with the appropriate portions of a problem solved on their respective computational domains. Zapotec handles the coupling between the two domains. The application of the CEL methodology within Zapotec for modeling coupled blast/structure interaction will be investigated by a series of benchmark calculations. These benchmarks rely on data from the Conventional Weapons Effects Backfill (CONWEB) test series. In these tests, a 15.4-lb pipe-encased C-4 charge was detonated in soil at a 5-foot standoff from a buried test structure. The test structure was composed of a reinforced concrete slab bolted to a reaction structure. Both the slab thickness and soil media were varied in the test series. The wealth of data obtained from these tests along with the variations in experimental setups provide ample opportunity to assess the robustness of the Zapotec CEL methodology.

  16. Detection of Damage in a Composite Structure Using Guided Waves

    E-Print Network [OSTI]

    Baid, Harsh Kumar

    2012-01-01T23:59:59.000Z

    Workshop on Structural Health Monitoring, pp 1923-1931,A Conceptual Structural Health Monitoring System Based onII program”, Structural Health Monitoring , F. -K. Chang

  17. GASPAR II: Technical reference and user guide

    SciTech Connect (OSTI)

    Strenge, D.L.; Bander, T.J.; Soldat, J.K.

    1987-03-01T23:59:59.000Z

    This report describes the computer program GASPAR II used by the staff of the US Nuclear Regulatory Commission to perform environmental dose analyses for releases of radioactive effluents from nuclear power plants into the atmosphere. The analyses estimate radiation dose to individuals and population groups from inhalation, ingestion (terrestrial foods), and external-exposure (ground and plume) pathways. The calculated doses provide information for National Environmental Policy Act (NEPA) evaluations and for determining compliance with Appendix I of 10 CFR 50 (the ''ALARA'' philosophy). The report also instructs the user in preparing input to the program, describes the mathematical models that are used, and supplies detailed information on program structure and parameters used to modify the program. 20 refs., 11 figs., 77 tabs.

  18. Lead (II) selenite halides Pb{sub 3}(SeO{sub 3}){sub 2}X{sub 2} (X = Br, I): Synthesis and crystal structure

    SciTech Connect (OSTI)

    Berdonosov, P. S., E-mail: berdonosov@inorg.chem.msu.ru; Olenev, A. V.; Dolgikh, V. A. [Moscow State University (Russian Federation)

    2012-03-15T23:59:59.000Z

    Two lead selenite halides, Pb{sub 3}(SeO{sub 3}){sub 2}Br{sub 2} and Pb{sub 3}(SeO{sub 3}){sub 2}I{sub 2}, have been prepared by solid-phase synthesis and structurally characterized. These compounds are isotypic and can be considered 3D with a microporous framework composed of lead polyhedra (distorted Archimedean antiprisms formed by oxygen and halogen atoms). The framework contains channels oriented in the [010] direction. These channels contain selenium atoms, which are bound with framework oxygen atoms belonging to different lead polyhedra.

  19. 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.

  20. 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.

  1. Original article Ligand and structure based pharmacophore modeling to facilitate novel histone

    E-Print Network [OSTI]

    Lee, Keun Woo

    Lee* Division of Applied Life Science (BK21 Program), Environmental Biotechnology National Core Research Center (EB-NCRC), Plant Molecular Biology and Biotechnology Research Center (PMBBRC), Gyeongsang), homologous to the yeast Rpd3 deace- tylase; class II (HDACs 4e7, 9 and 10), related to the yeast Hda1

  2. Phase structure and Higgs boson mass in a Higgs-Yukawa model with a dimension-6 operator

    E-Print Network [OSTI]

    David Y. -J. Chu; Karl Jansen; Bastian Knippschild; C. -J. David Lin; Kei-Ichi Nagai; Attila Nagy

    2015-01-01T23:59:59.000Z

    We investigate the impact of a $\\lambda_6 \\varphi^6$ term included in a chirally invariant lattice Higgs-Yukawa model. Such a term could emerge from BSM physics at some larger energy scale. We map out the phase structure of the Higgs-Yukawa model with positive $\\lambda_6$ and negative quartic self coupling of the scalar fields. To this end, we evaluate the constraint effective potential in lattice perturbation theory and also determine the magnetization of the model via numerical simulations which allow us to reach also non-perturbative values of the couplings. As a result, we find a complex phase structure with first and second order phase transitions identified through the magnetization. Further we analyze the effect of such a $\\varphi^6$ term on the lower Higgs boson mass bound to see, whether the standard model lower mass bound can be altered.

  3. Biofoam II

    DOE Patents [OSTI]

    Morrison, Robert L. (Modesto, CA)

    1994-01-01T23:59:59.000Z

    Biofoam is a rigid, microcellular organic foam made from organic materials derived from natural products and biological organisms. Starting materials include agar, agarose, gelatin, algin, alginates, gellan gum, and microcrystalline cellulose. The organic material is dissolved in a polar solvent, typically water, and the mixture is gelled. The water in the gel pores is replaced at least once with another solvent to reduce the pore size of the final biofoam. The solvent in the gel pores may be replaced several times. After the final replacement of solvent, the gel is frozen and freeze-dried to form a biofoam. Translucent biofoams are formed by selecting a final solvent that forms very small crystals. A variety of crystalline, fibrous, amorphous, or metallic additives may be incorporated into the foam structure to produce lightweight composite materials with enhanced strength and insulating properties.

  4. Biofoam II

    DOE Patents [OSTI]

    Morrison, R.L.

    1994-11-01T23:59:59.000Z

    Biofoam is a rigid, microcellular organic foam made from organic materials derived from natural products and biological organisms. Starting materials include agar, agarose, gelatin, algin, alginates, gellan gum, and microcrystalline cellulose. The organic material is dissolved in a polar solvent, typically water, and the mixture is gelled. The water in the gel pores is replaced at least once with another solvent to reduce the pore size of the final biofoam. The solvent in the gel pores may be replaced several times. After the final replacement of solvent, the gel is frozen and freeze-dried to form a biofoam. Translucent biofoams are formed by selecting a final solvent that forms very small crystals. A variety of crystalline, fibrous, amorphous, or metallic additives may be incorporated into the foam structure to produce lightweight composite materials with enhanced strength and insulating properties. 1 fig.

  5. Structural Patterns for the Transformation of Business Process Models This research has partly been funded by the Austrian Federal Ministry for Education, Science, and Culture,

    E-Print Network [OSTI]

    Structural Patterns for the Transformation of Business Process Models This research has partly@wit.tuwien.ac.at Abstract Due to company mergers and business to business interoperability, there is a need for model transformations in the area of business process modeling to facilitate scenarios like model integration and model

  6. An equilibrium double-twist model for the radial structure of collagen fibrils

    E-Print Network [OSTI]

    Aidan I Brown; Laurent Kreplak; Andrew D Rutenberg

    2014-09-15T23:59:59.000Z

    Mammalian tissues contain networks and ordered arrays of collagen fibrils originating from the periodic self-assembly of helical 300 nm long tropocollagen complexes. The fibril radius is typically between 25 to 250 nm, and tropocollagen at the surface appears to exhibit a characteristic twist-angle with respect to the fibril axis. Similar fibril radii and twist-angles at the surface are observed in vitro, suggesting that these features are controlled by a similar self-assembly process. In this work, we propose a physical mechanism of equilibrium radius control for collagen fibrils based on a radially varying double-twist alignment of tropocollagen within a collagen fibril. The free-energy of alignment is similar to that of liquid crystalline blue phases, and we employ an analytic Euler-Lagrange and numerical free energy minimization to determine the twist-angle between the molecular axis and the fibril axis along the radial direction. Competition between the different elastic energy components, together with a surface energy, determines the equilibrium radius and twist-angle at the fibril surface. A simplified model with a twist-angle that is linear with radius is a reasonable approximation in some parameter regimes, and explains a power-law dependence of radius and twist-angle at the surface as parameters are varied. Fibril radius and twist-angle at the surface corresponding to an equilibrium free-energy minimum are consistent with existing experimental measurements of collagen fibrils. Remarkably, in the experimental regime, all of our model parameters are important for controlling equilibrium structural parameters of collagen fibrils.

  7. Detecting the Causes of Ill-Conditioning in Structural Finite Element Models

    E-Print Network [OSTI]

    Higham, Nicholas J.

    .6 of the finite element-based structural analysis package Oasys GSA was released. A new feature in this release

  8. Development of the in-structure response spectra of the VVER-440 Model 230 Kozloduy Plant

    SciTech Connect (OSTI)

    Kostov, M.K. [Bulgarian Academy of Sciences, Sofia (BG). Central Lab. for Seismic Mechanics and Earthquake Engineering; Ma, D.C. [Argonne National Lab., IL (United States); Prato, C.A. [Univ. of Cordoba (AR); Stevenson, J.D. [Stevenson and Associates, Cleveland, OH (US)

    1993-08-01T23:59:59.000Z

    The Kozloduy NPP is located in the North-West part of Bulgaria on the Danube river. The plant consists of four units of 440 MW and two units of 1,000 MW. In the last 15 years there have been three strong, intermediate depth earthquakes in the Vrancea seismic zone (1977, 1986, 1990) which have affected the NPP site. The Vrancea zone is located approximately 300 km northeast of the plant. It is known for the generation of strong, long-period seismic motions. In 1990 an intensive work program for qualification of the plant according to the international standards (IAEA 1991; IAEA 1992) was initiated. The work started by a project for site confirmation. As a result, new design seismic characteristics were obtained. A Review Level Earthquake is defined by a maximum acceleration of 0.2 g; a response spectrum is shown. The generation of the in-structure response spectra for units 1 and 2 VVER-440 Model 230 is presented in this paper. The coauthors belong to an IAEA Advisory Team assisting the seismic upgrading project of the Kozloduy plant.

  9. Oxygen reduction by lithium on model carbon and oxidized carbon structures

    SciTech Connect (OSTI)

    Xu, Ye [ORNL; Shelton Jr, William Allison [ORNL

    2011-01-01T23:59:59.000Z

    Li-air batteries have attracted substantial interest for their high theoretical specific energies, but the oxygen reduction reaction by Li (Li-ORR) that occurs at the carbon cathode remains poorly understood. Periodic density functional theory calculations have been performed to examine the Li-ORR on several model carbon structures, including the graphite(0001) basal plane, the (8,0) single-wall nanotube, the armchair-type edge, and a di-vacancy in the basal plane. The inertness of the basal plane limits the reversible potential of O{sub 2} reduction to 1.1 V, and slightly higher to 1.2 V on the curved nanotube. The armchair edge and di-vacancy are highly reactive and significantly oxidized at ambient conditions to various CO{sub x} groups, which are reduced by Li via redox mechanisms at 1.2-1.4 V. These CO{sub x} groups can also catalyze O{sub 2} reduction at up to 2.3 V (an overpotential of 0.4 V vs. the calculated equilibrium potential for bulk Li{sub 2}O{sub 2} formation) by chelating and stabilizing the LiO{sub 2} intermediate. The Li-ORR on graphitic carbon, if via concerted Li{sup +}/e{sup -} transfer and involving carbon, lithium, and oxygen only, is therefore expected to initiate with the smallest overpotential at under-coordinated carbon centers that are oxidized at ambient conditions.

  10. J. Phys. Chem. 1994, 98, 1245-1249 1245 Structural and Catalytic Properties of Model Supported Nickel Catalysts

    E-Print Network [OSTI]

    Goodman, Wayne

    Nickel Catalysts Kent Coulter, Xueping Xu, and D. Wayne Goodman' Department of Chemistry, Texas A" The surface structure and catalytic properties of model silica-supported nickel catalysts have been hydrogenolysis and carbon monoxide methanation. Nickel particles in the range 15-80 %L were vacuum deposited onto

  11. Existence domains of arbitrary amplitude nonlinear structures in two-electron temperature space plasmas. II. High-frequency electron-acoustic solitons

    SciTech Connect (OSTI)

    Maharaj, S. K. [South African National Space Agency (SANSA) Space Science, P.O. Box 32, Hermanus 7200 (South Africa); Bharuthram, R. [University of the Western Cape, Modderdam Road, Bellville 7530 (South Africa); Singh, S. V. [Indian Institute of Geomagnetism, New Panvel (West), Navi Mumbai 410218 (India); School of Chemistry and Physics, University of KwaZulu-Natal, Private Bag X54001, Durban 4000 (South Africa); Lakhina, G. S. [Indian Institute of Geomagnetism, New Panvel (West), Navi Mumbai 410218 (India)

    2012-12-15T23:59:59.000Z

    A three-component plasma model composed of ions, cool electrons, and hot electrons is adopted to investigate the existence of large amplitude electron-acoustic solitons not only for the model for which inertia and pressure are retained for all plasma species which are assumed to be adiabatic but also neglecting inertial effects of the hot electrons. Using the Sagdeev potential formalism, the Mach number ranges supporting the existence of large amplitude electron-acoustic solitons are presented. The limitations on the attainable amplitudes of electron-acoustic solitons having negative potentials are attributed to a number of different physical reasons, such as the number density of either the cool electrons or hot electrons ceases to be real valued beyond the upper Mach number limit, or, alternatively, a negative potential double layer occurs. Electron-acoustic solitons having positive potentials are found to be supported only if inertial effects of the hot electrons are retained and these are found to be limited only by positive potential double layers.

  12. Mechanism of Interaction Between the General Anesthetic Halothane and a Model Ion Channel Protein, I: Structural Investigations via X-Ray Reflectivity from Langmuir Monolayers

    SciTech Connect (OSTI)

    Strzalka, J.; Liu, J; Tronin, A; Churbanova, I; Johansson, J; Blasie, J

    2009-01-01T23:59:59.000Z

    We previously reported the synthesis and structural characterization of a model membrane protein comprised of an amphiphilic 4-helix bundle peptide with a hydrophobic domain based on a synthetic ion channel and a hydrophilic domain with designed cavities for binding the general anesthetic halothane. In this work, we synthesized an improved version of this halothane-binding amphiphilic peptide with only a single cavity and an otherwise identical control peptide with no such cavity, and applied x-ray reflectivity to monolayers of these peptides to probe the distribution of halothane along the length of the core of the 4-helix bundle as a function of the concentration of halothane. At the moderate concentrations achieved in this study, approximately three molecules of halothane were found to be localized within a broad symmetric unimodal distribution centered about the designed cavity. At the lowest concentration achieved, of approximately one molecule per bundle, the halothane distribution became narrower and more peaked due to a component of {approx}19Angstroms width centered about the designed cavity. At higher concentrations, approximately six to seven molecules were found to be uniformly distributed along the length of the bundle, corresponding to approximately one molecule per heptad. Monolayers of the control peptide showed only the latter behavior, namely a uniform distribution along the length of the bundle irrespective of the halothane concentration over this range. The results provide insight into the nature of such weak binding when the dissociation constant is in the mM regime, relevant for clinical applications of anesthesia. They also demonstrate the suitability of both the model system and the experimental technique for additional work on the mechanism of general anesthesia, some of it presented in the companion parts II and III under this title.

  13. A general purpose Fortran 90 electronic structure program for conjugated systems using Pariser-Parr-Pople model

    E-Print Network [OSTI]

    Sony, Priya

    2009-01-01T23:59:59.000Z

    Pariser-Parr-Pople (P-P-P) model Hamiltonian has been used extensively over the years to perform calculations of electronic structure and optical properties of $\\pi$-conjugated systems successfully. In spite of tremendous successes of \\emph{ab initio} theory of electronic structure of large systems, the P-P-P model continues to be a popular one because of a recent resurgence in interest in the physics of $\\pi$-conjugated polymers, fullerenes and other carbon based materials. In this paper, we describe a Fortran 90 computer program developed by us, which uses P-P-P model Hamiltonian to not only solve Hartree-Fock (HF) equation for closed- and open-shell systems, but also for performing correlation calculations at the level of single configuration interactions (SCI) for molecular systems. Moreover, the code is capable of computing linear optical absorption spectrum at various levels, such as, tight binding (TB) Hueckel model, HF, SCI, and also of calculating the band structure using the Hueckel model. The code ...

  14. Introducing Protein Folding Using Simple Models

    E-Print Network [OSTI]

    D. Thirumalai; D. K. Klimov

    2001-01-04T23:59:59.000Z

    We discuss recent theoretical developments in the study of simple lattice models of proteins. Such models are designed to understand general features of protein structures and mechanism of folding. Among the topics covered are (i) the use of lattice models to understand the selection of the limited set of viable protein folds; (ii) the relationship between structure and sequence spaces; (iii) the application of lattice models for studying folding mechanisms (topological frustration, kinetic partitioning mechanism). Classification of folding scenarios based on the intrinsic thermodynamic properties of a sequence (namely, the collapse and folding transition temperatures) is outlined. A brief discussion of random heteropolymer model is also presented.

  15. A modeling and control framework for operating large-scale electric power systems under present and newly evolving competitive industry structures

    E-Print Network [OSTI]

    Ilic, Marija

    1995-01-01T23:59:59.000Z

    This paper introduces a systematic, structure-based modeling framework for analysis and control of electric power systems for processes evolving over the mid-term and long-term time horizons. Much simpler models than the ...

  16. Stochastic Dynamical Structure (SDS) of Nonequilibrium Processes in the Absence of Detailed Balance. II: construction of SDS with nonlinear force and multiplicative noise

    E-Print Network [OSTI]

    P. Ao

    2008-03-31T23:59:59.000Z

    There is a whole range of emergent phenomena in non-equilibrium behaviors can be well described by a set of stochastic differential equations. Inspired by an insight gained during our study of robustness and stability in phage lambda genetic switch in modern biology, we found that there exists a classification of generic nonequilibrium processes: In the continuous description in terms of stochastic differential equations, there exists four dynamical elements: the potential function $\\phi$, the friction matrix $ S$, the anti-symmetric matrix $ T $, and the noise. The generic feature of absence of detailed balance is then precisely represented by $T$. For dynamical near a fixed point, whether or not it is stable or not, the stochastic dynamics is linear. A rather complete analysis has been carried out (Kwon, Ao, Thouless, cond-mat/0506280; PNAS, {\\bf 102} (2005) 13029), referred to as SDS I. One important and persistent question is the existence of a potential function with nonlinear force and with multiplicative noise, with both nice local dynamical and global steady state properties. Here we demonstrate that a dynamical structure built into stochastic differential equation allows us to construct such a global optimization potential function. First, we provide the construction. One of most important ingredient is the generalized Einstein relation. We then present an approximation scheme: The gradient expansion which turns every order into linear matrix equations. The consistent of such methodology with other known stochastic treatments will be discussed in next paper, SDS III; and the explicitly connection to statistical mechanics and thermodynamics will be discussed in a forthcoming paper, SDS IV.

  17. Characterization of Special Variance Structures for Designs in Model Identification and Discrimination

    E-Print Network [OSTI]

    Flores, Analisa Marielena

    2011-01-01T23:59:59.000Z

    2 k ? 3.2 Model Information Consider a special search linear model (3.1) as it applies to a fractional factorial design.

  18. Mechanical models of the 1975 Kalapana, Hawaii earthquake and tsunami

    E-Print Network [OSTI]

    Kirby, James T.

    interpretation of geological data from Kilauea, along with modeling of the tsunami using recent seismic analyses) a structural interpretation of geological data with (ii) modeling of the tsunami using recent seismic analy, because of its limited onshore expression near Kalapana. We argue that several different interpretations

  19. Aeroelastic Modeling of Offshore Turbines and Support Structures in Hurricane-Prone Regions (Poster)

    SciTech Connect (OSTI)

    Damiani, R.

    2014-03-01T23:59:59.000Z

    US offshore wind turbines (OWTs) will likely have to contend with hurricanes and the associated loading conditions. Current industry standards do not account for these design load cases (DLCs), thus a new approach is required to guarantee that the OWTs achieve an appropriate level of reliability. In this study, a sequentially coupled aero-hydro-servo-elastic modeling technique was used to address two design approaches: 1.) The ABS (American Bureau of Shipping) approach; and 2.) The Hazard Curve or API (American Petroleum Institute) approach. The former employs IEC partial load factors (PSFs) and 100-yr return-period (RP) metocean events. The latter allows setting PSFs and RP to a prescribed level of system reliability. The 500-yr RP robustness check (appearing in [2] and [3] upcoming editions) is a good indicator of the target reliability for L2 structures. CAE tools such as NREL's FAST and Bentley's' SACS (offshore analysis and design software) can be efficiently coupled to simulate system loads under hurricane DLCs. For this task, we augmented the latest FAST version (v. 8) to include tower aerodynamic drag that cannot be ignored in hurricane DLCs. In this project, a 6 MW turbine was simulated on a typical 4-legged jacket for a mid-Atlantic site. FAST-calculated tower base loads were fed to SACS at the interface level (transition piece); SACS added hydrodynamic and wind loads on the exposed substructure, and calculated mudline overturning moments, and member and joint utilization. Results show that CAE tools can be effectively used to compare design approaches for the design of OWTs in hurricane regions and to achieve a well-balanced design, where reliability levels and costs are optimized.

  20. A 205 {mu}m [N II] MAP OF THE CARINA NEBULA

    SciTech Connect (OSTI)

    Oberst, T. E.; Parshley, S. C.; Nikola, T.; Stacey, G. J. [Department of Astronomy, Cornell University, Ithaca, NY 14853 (United States); Loehr, A.; Lane, A. P.; Stark, A. A. [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States); Kamenetzky, J., E-mail: oberstte@westminster.edu [Center for Astrophysics and Space Astronomy, University of Colorado, Boulder, CO 80303 (United States)

    2011-10-01T23:59:59.000Z

    We present the results of a {approx}250 arcmin{sup 2} mapping of the 205 {mu}m [N II] fine-structure emission over the northern Carina Nebula, including the Car I and Car II H II regions. Spectra were obtained using the South Pole Imaging Fabry-Perot Interferometer (SPIFI) at the Antarctic Submillimeter Telescope and Remote Observatory (AST/RO) at the South Pole. We supplement the 205 {mu}m data with new reductions of far-IR fine-structure spectra from the Infrared Space Observatory (ISO) Long Wavelength Spectrometer (LWS) in 63 {mu}m [O I], 122 {mu}m [N II], 146 {mu}m [O I], and 158 {mu}m [C II]; the 146 {mu}m [O I] data include 90 raster positions which have not been previously published. Morphological comparisons are made with optical, radio continuum, and CO maps. The 122/205 line ratio is used to probe the density of the low-ionization gas, and the 158/205 line ratio is used to probe the fraction of C{sup +} arising from photodissociation regions (PDRs). The [O I] and [C II] lines are used to construct a PDR model of Carina. When the PDR properties are compared with other sources, Carina is found to be more akin to 30 Doradus than galactic star-forming regions such as Orion, M17, or W49; this is consistent with the view of Carina as a more evolved region, where much of the parent molecular cloud has been ionized or swept away. These data constitute the first ground-based detection of the 205 {mu}m [N II] line, and the third detection overall since those of COBE FIRAS and the Kuiper Airborne Observatory in the early 1990s.