Sample records for lysozyme structural model

  1. J. Mol. Biol. (1976) 100, 179-195 The Structure of Triclinic Lysozyme at 2.5 .~ Resolution

    E-Print Network [OSTI]

    Yonath, Ada E.

    1976-01-01T23:59:59.000Z

    7 July 1975) The gross similarity of the conformation of the hen egg-white lysozyme molecule appropriately weighted difference maps. An independent model of the triclinic structure has been obtained by use of hen egg-white lysozyme was the first enzyme structure to be determined at high resolution (Blake et al

  2. Effective protein-protein interaction from structure factor data of a lysozyme solution

    SciTech Connect (OSTI)

    Abramo, M. C.; Caccamo, C.; Costa, D.; Ruberto, R.; Wanderlingh, U. [Dipartimento di Fisica e di Scienze della Terra, Università degli Studi di Messina and CNISM (Consorzio Nazionale Interuniversitario di Struttura della Materia) Viale F. Stagno d'Alcontres 31, 98166 Messina (Italy)] [Dipartimento di Fisica e di Scienze della Terra, Università degli Studi di Messina and CNISM (Consorzio Nazionale Interuniversitario di Struttura della Materia) Viale F. Stagno d'Alcontres 31, 98166 Messina (Italy); Cavero, M. [School of Chemistry and Physics, University of Kwazulu-Natal, Private Bag X01, Scottsville 3209, Pietermaritzburg (South Africa)] [School of Chemistry and Physics, University of Kwazulu-Natal, Private Bag X01, Scottsville 3209, Pietermaritzburg (South Africa); Pellicane, G. [School of Chemistry and Physics, University of Kwazulu-Natal, Private Bag X01, Scottsville 3209, Pietermaritzburg (South Africa) [School of Chemistry and Physics, University of Kwazulu-Natal, Private Bag X01, Scottsville 3209, Pietermaritzburg (South Africa); National Institute for Theoretical Physics (NITheP), KZN node, Pietermaritzburg (South Africa)

    2013-08-07T23:59:59.000Z

    We report the determination of an effective protein-protein central potential for a lysozyme solution, obtained from the direct inversion of the total structure factor of the system, as extracted from small angle neutron scattering. The inversion scheme rests on a hypernetted-chain relationship between the effective potential and the structural functions, and is preliminarily tested for the case of a Lennard-Jones interaction. The characteristics of our potential are discussed in comparison with current models of effective interactions in complex fluids. The phase behavior predictions are also investigated.

  3. Structure Transition in PSS/Lysozyme Complexes: A Chain-Conformation-Driven Process, as Directly Seen by Small Angle Neutron Scattering

    E-Print Network [OSTI]

    Jérémie Gummel; Fabrice Cousin; François Boué

    2009-03-30T23:59:59.000Z

    Measurements of chain conformation in proteins/polyelectrolytes complexes (lysozyme and PSSNa) show that the crossover observed between an open structure -a chain network crosslinked by the proteins, and a globular one - dense globules of ~ 10 nm aggregated in a fractal way, results from a conformation modification prior to the transition. Before showing this, we have widened the parameters range for the observation of the transition. We had shown before that the two structures can be formed depending on chain length (for a given [PSS]/[lysozyme] ratio): gel for large chains, globules for short chains. We show here that the crossover between these two regimes can also be reached as a function of chains concentration or salinity of the buffer. Since all these crossover parameters act on chains overlapping concentration c*, we reinforce the idea of a transition from the dilute to the semi-dilute regime, but c* is shifted compared to pure PSS solutions. In order to understand this, we have measured by SANS the conformation of a single chain of PSS in presence of proteins within the complexes. This is achieved by a specific labeling trick where we take advantage of the fact that lysozyme and hydrogenated PSS chains have the same neutron scattering length density. In the gel structure, the PSS chains keep a wormlike structure as in pure solutions, but their persistence length is strongly reduced, from 50 {\\AA} without proteins to 20 {\\AA} in average with lysozyme. With this value of 20 {\\AA}, we calculate new overlapping thresholds (concentration, mass, ionic strength) in agreement with observed ones. In a second stage, after the globular structure is formed, the PSS chains get a third conformation, no longer wormlike, but more collapsed, within the globules.

  4. A zinc complex of heparan sulfate destabilises lysozyme and alters its conformation

    SciTech Connect (OSTI)

    Hughes, Ashley J. [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom) [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom); Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom); Hussain, Rohanah [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom)] [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom); Cosentino, Cesare; Guerrini, Marco [Istituto di Chimica e Biochimica 'G. Ronzoni', Via G. Colombo 81, Milano 20133 (Italy)] [Istituto di Chimica e Biochimica 'G. Ronzoni', Via G. Colombo 81, Milano 20133 (Italy); Siligardi, Giuliano [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom)] [Diamond Light Source Ltd., Diamond House, Didcot, Oxfordshire OX11 0DE (United Kingdom); Yates, Edwin A., E-mail: eayates@liv.ac.uk [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom); Rudd, Timothy R., E-mail: trudd@liv.ac.uk [Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB (United Kingdom); Istituto di Chimica e Biochimica 'G. Ronzoni', Via G. Colombo 81, Milano 20133 (Italy)

    2012-09-07T23:59:59.000Z

    Highlights: Black-Right-Pointing-Pointer Zinc-heparan sulfate complex destabilises lysozyme, a model amyloid protein. Black-Right-Pointing-Pointer Addition of zinc, without heparan sulfate, stabilises lysozyme. Black-Right-Pointing-Pointer Heparan sulfate cation complexes provide alternative protein folding routes. -- Abstract: The naturally occurring anionic cell surface polysaccharide heparan sulfate is involved in key biological activities and is implicated in amyloid formation. Following addition of Zn-heparan sulfate, hen lysozyme, a model amyloid forming protein, resembled {beta}-rich amyloid by far UV circular dichroism (increased {beta}-sheet: +25%), with a significantly reduced melting temperature (from 68 to 58 Degree-Sign C) by fluorescence shift assay. Secondary structure stability of the Zn-heparan sulfate complex with lysozyme was also distinct from that with heparan sulfate, under stronger denaturation conditions using synchrotron radiation circular dichroism. Changing the cation associated with heparan sulfate is sufficient to alter the conformation and stability of complexes formed between heparan sulfate and lysozyme, substantially reducing the stability of the protein. Complexes of heparan sulfate and cations, such as Zn, which are abundant in the brain, may provide alternative folding routes for proteins.

  5. Collective Dynamics of Lysozyme in Water: Terahertz Absorption Spectroscopy and Comparison with Theory

    E-Print Network [OSTI]

    Xu, Jing

    reported regarding the low-frequency normal modes of the monomeric protein hen egg white lysozyme, inviting and Biochemistry, UniVersity of California, Santa Barbara, California 93106 ReceiVed: July 28, 2006; In Final Form to several published theoretical models based on molecular dynamics simulations and normal-mode analysis. We

  6. Light scattering and phase behavior of Lysozyme-PEG mixtures

    E-Print Network [OSTI]

    J. Bloustine; T. Virmani; G. M. Thurston; S. Fraden

    2005-12-14T23:59:59.000Z

    Measurements of liquid-liquid phase transition temperatures (cloud points) of mixtures of a protein (lysozyme) and a polymer, poly(ethylene glycol) (PEG) show that the addition of low molecular weight PEG stabilizes the mixture whereas high molecular weight PEG was destabilizing. We demonstrate that this behavior is inconsistent with an entropic depletion interaction between lysozyme and PEG and suggest that an energetic attraction between lysozyme and PEG is responsible. In order to independently characterize the lysozyme/PEG interactions, light scattering experiments on the same mixtures were performed to measure second and third virial coefficients. These measurements indicate that PEG induces repulsion between lysozyme molecules, contrary to the depletion prediction. Furthermore, it is shown that third virial terms must be included in the mixture's free energy in order to qualitatively capture our cloud point and light scattering data. The light scattering results were consistent with the cloud point measurements and indicate that attractions do exist between lysozyme and PEG.

  7. New sub-family of lysozyme-like proteins shows no catalytic activity...

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

    modest sequence similarity to phage-like lysozyme (N-acetylmuramidase) but appears to lack essential catalytic residues that are strictly conserved in all lysozymes. Close...

  8. 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 ...

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. Logarithmic Decay in Single-Particle Relaxation of Hydrated Lysozyme Powder Marco Lagi,1,2

    E-Print Network [OSTI]

    Chen, Sow-Hsin

    Logarithmic Decay in Single-Particle Relaxation of Hydrated Lysozyme Powder Marco Lagi,1,2 Piero-dynamics of protein amino acids of hydrated lysozyme powder around the physiological temperature by means of molecular and their hydration water display a feature known as boson peak, typical of strong glass formers [3]; (3) the protein

  15. 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.

  16. 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.

  17. Dynamics of lysozyme and its hydration water under electric field

    E-Print Network [OSTI]

    P. M. Favi; Q. Zhang; H. O'Neill; E. Mamontov; S. O. Diallo

    2013-12-06T23:59:59.000Z

    The effects of static electric field on the dynamics of lysozyme and its hydration water have been investigated by means of incoherent quasi-elastic neutron scattering (QENS). Measurements were performed on lysozyme samples, hydrated respectively with heavy water (D2O) to capture the protein dynamics, and with light water (H2O), to probe the dynamics of the hydration shell, in the temperature range from 210 $hydration fraction in both cases was about $\\sim$ 0.38 gram of water per gram of dry protein. The field strengths investigated were respectively 0 kV/mm and 2 kV/mm (2 10$^6$ V/m) for the protein hydrated with D2O and 0 kV and 1 kV/mm for the H2O hydrated counterpart. While the overall internal protons dynamics of the protein appears to be unaffected by the application of electric field up to 2 kV/mm, likely due to the stronger intra-molecular interactions, there is also no appreciable quantitative enhancement of the diffusive dynamics of the hydration water, as would be anticipated based on our recent observations in water confined in silica pores under field values of 2.5 kV/mm. This may be due to the difference in surface interactions between water and the two adsorption hosts (silica and protein), or to the existence of a critical threshold field value Ec $\\sim$ 2-3 kV/mm for increased molecular diffusion, for which electrical breakdown is a limitation for our sample.

  18. Logarithmic Decay in Single-Particle Relaxation of Hydrated Lysozyme Powder

    E-Print Network [OSTI]

    Baglioni, Piero

    We present the self-dynamics of protein amino acids of hydrated lysozyme powder around the physiological temperature by means of molecular dynamics simulations. The self-intermediate scattering functions of the amino acid ...

  19. Surfactant Diffusion into Lysozyme Crystal Matrices Investigated by Quantitative Fluorescence Microscopy

    E-Print Network [OSTI]

    Velev, Orlin D.

    the infusion of lysozyme crystals with pyrene-based fluorescent surfactants by quantitative fluorescence × 10-10 to 30 × 10-10 cm2 /s, depending on the type and size of the surfactant. The slow infusion

  20. 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

  1. 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

  2. Protein-salt binding data from potentiometric titrations of lysozyme in aqueous solutions containing KCl

    SciTech Connect (OSTI)

    Engmann, J.; Blanch, H.W.; Prausnitz, J.M. [Univ. of California, Berkeley, CA (United States). Dept. of Chemical Engineering]|[Lawrence Berkeley National Lab., CA (United States). Chemical Sciences Div.

    1997-03-01T23:59:59.000Z

    An existing method for potentiometric titrations of proteins was improved, tested and applied to titrations of the enzyme hen-egg-white lysozyme in aqueous solutions containing KCl at ionic strengths from 0.1 M to 2.0 M at 25 C. Information about the protein`s net charge dependence on pH and ionic strength were obtained and salt binding numbers for the system were calculated using a linkage concept. For the pH range 2.5--11.5, the net charge slightly but distinctly increases with increasing ionic strength between 0.1 M and 2.0 M. The differences are most distinct in the pH region below 5. Above pH 11.35, the net charge decreases with increasing ionic strength. Preliminary calculation of binding numbers from titration curves at 0.1 M and 1.0 M showed selective association of chloride anions and expulsion of potassium ions at low pH. Ion-binding numbers from this work will be used to evaluate thermodynamic properties and to correlate crystallization or precipitation phase-equilibrium data in terms of a model based on the integral-equation theory of fluids which is currently under development.

  3. 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

  4. 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.

  5. Lysozyme Degradation by the Bovine Multicatalytic Proteinase Complex (Proteasome): Evidence for a Nonprocessive Mode of Degradation

    E-Print Network [OSTI]

    Chait, Brian T.

    Lysozyme Degradation by the Bovine Multicatalytic Proteinase Complex (Proteasome): Evidence for a Nonprocessive Mode of Degradation Rong Wang, Brian T. Chait, Imrey Wolf,§ Ronald A. Kohanski,§ and Christopher suggest that degradation of proteins by the complex is processive and have led to the proposal

  6. Formation of amyloid fibrils from fully reduced hen egg white lysozyme

    E-Print Network [OSTI]

    Luhua, Lai

    with four disulfide bonds, is a recent example (Goda et al. 2000; Krebs et al. 2000). Amyloid fibrils formed residues may play an important role. Keywords: Amyloid fibril formation; hen lysozyme; disulfide reduction different proteins have been found to form amyloid in vivo. Amyloid fibrils formed from those proteins share

  7. 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).

  8. 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.

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. 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 ...

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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...

  19. 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...

  20. 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)

  1. 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...

  2. 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...

  3. lysozyme in the complex were assigned by using a 15 N-edited three-dimensional nuclear

    E-Print Network [OSTI]

    Miller, Webb

    lysozyme in the complex were assigned by using a 15 N-edited three-dimensional nuclear O¨ verhauser. 9, 308­315 (2002). 12. Schenk, D. Amyloid-beta immunotherapy for Alzheimer's disease: the end fibril formation in vitro. Biochemistry 31, 8654­8660 (1992). 18. Morozova-Roche, L. A. et al. Amyloid

  4. 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

  5. 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...

  6. 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

  7. 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

  8. 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.

  9. Logarithmic decay in single-particle relaxations of hydrated lysozyme powder

    E-Print Network [OSTI]

    Marco Lagi; Piero Baglioni; Sow-Hsin Chen

    2009-08-13T23:59:59.000Z

    We present the self-dynamics of protein amino acids of hydrated lysozyme powder around the physiological temperature by means of molecular dynamics (MD) simulations. The self-intermediate scattering functions (SISF) of the amino acid residue center-of-mass and of the protein hydrogen atoms display a logarithmic decay over 3 decades of time, from 2 picoseconds to 2 nanoseconds, followed by an exponential alpha-relaxation. This kind of slow dynamics resembles the relaxation scenario within the beta-relaxation time range predicted by the mode coupling theory (MCT) in the vicinity of higher-order singularities. These results suggest a strong analogy between the single-particle dynamics of the protein and the dynamics of colloidal, polymeric and molecular glass-forming liquids.

  10. 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...

  11. Simulation studies of slow dynamics of hydration water in lysozyme : hydration level dependence and comparison with experiment using new time domain analysis

    E-Print Network [OSTI]

    Kim, Chansoo, S.M. Massachusetts Institute of Technology

    2008-01-01T23:59:59.000Z

    A series of Molecular Dynamics (MD) simulations using the GROMACS® package has been performed in this thesis. It is used to mimic and simulate the hydration water in Lysozyme with three different hydration levels (h = 0.3, ...

  12. 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

  13. 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

  14. Structure, Orientation and Stability of Lysozyme Confined in layered Sbastien Balmea,b

    E-Print Network [OSTI]

    of biomolecules in inorganic porous materials, for the synthesis of novel nanocomposites with particular-12 Indeed, many studies5 have shown the multiple possibilities and applications of these hybrid materials

  15. 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...

  16. 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

  17. 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...

  18. 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...

  19. 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

  20. 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.

  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. 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.

  10. 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.

  11. 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.

  12. 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...

  13. 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.

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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

  3. Eep confers lysozyme resistance to enterococcus faecalis via the activation of the extracytoplasmic function sigma factor SigV

    E-Print Network [OSTI]

    Varahan, Sriram; Iyer, Vljayalakshmi S.; Moore, William T.; Hancock, Lynn E.

    2013-05-03T23:59:59.000Z

    confers lysozyme resistance to enterococcus faecalis via the activation of the extracytoplasmic function sigma factor SigV. Journal of bacteriology 195(14):3125-34. Published version: http://www.dx.doi.org/10.1128/JB.00291-13 Terms of Use: http... correspondence to Lynn E. Hancock, lynnh@ksu.edu. Copyright © 2013, American Society for Microbiology. All Rights Reserved. doi:10.1128/JB.00291-13 July 2013 Volume 195 Number 14 Journal of Bacteriology p. 3125–3134 jb.asm.org 3125 o n June 30, 2014...

  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. 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...

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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)

  13. Studies of protein structure in solution and protein folding using synchrotron small-angle x-ray scattering

    SciTech Connect (OSTI)

    Chen, Lingling

    1996-04-01T23:59:59.000Z

    Synchrotron small angle x-ray scattering (SAXS) has been applied to the structural study of several biological systems, including the nitrogenase complex, the heat shock cognate protein (hsc70), and lysozyme folding. The structural information revealed from the SAXS experiments is complementary to information obtained by other physical and biochemical methods, and adds to our knowledge and understanding of these systems.

  14. NMR Structures of Salt-Refolded Forms of the 434-Repressor DNA-Binding Domain in 6 M Urea

    E-Print Network [OSTI]

    Wider, Gerhard

    NMR Structures of Salt-Refolded Forms of the 434-Repressor DNA-Binding Domain in 6 M Urea- 8). Examples are salt-induced refolding of proteins at acidic pH (9), leading to the formation), and lysozyme (14) allowed detailed structural and dynamic characterization of salt-stabilized A-states, which

  15. 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

  16. 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.

  17. 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...

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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

  4. 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 ...

  5. 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

  6. 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.

  7. 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

  8. 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

  9. 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...

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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...

  15. 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

  16. 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-.

  17. 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

  18. 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

  19. 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 ...

  20. 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 ...

  1. 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 ...

  2. 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 ...

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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...

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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

  17. 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

  18. 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

  19. 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.

  20. 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

  1. 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

  2. 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

  3. 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.

  4. 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

  5. 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 ...

  6. 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...

  7. 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

  8. 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...

  9. 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...

  10. 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

  11. 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

  12. 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.

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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)

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. 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

  8. 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

  9. 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...

  10. 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.

  11. 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...

  12. 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...

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  1. 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

  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. 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.

  4. 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.

  5. 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.

  6. 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...

  7. 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.

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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.

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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.

  12. 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...

  13. 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

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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 ...

  19. 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.

  20. 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.

  1. 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...

  2. 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...

  3. 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.

  4. 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...

  5. 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.

  6. 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.

  7. 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...

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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).

  14. 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.

  15. 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...

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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

  3. 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

  4. 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.

  5. 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)

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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$.

  13. 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.

  14. 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

  15. 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.

  16. 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...

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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

  14. 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 ...

  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. From screen to structure with a harvestable microfluidic device

    SciTech Connect (OSTI)

    Stojanoff V.; Jakonic, J.; Oren, D.A.; Nagarajan, V.; Navarro Poulsen, J.C.; Adams-Cioaba, M.A.; Bergfors, T. and Sommer, M.O.A.

    2011-06-21T23:59:59.000Z

    Advances in automation have facilitated the widespread adoption of high-throughput vapor-diffusion methods for initial crystallization screening. However, for many proteins, screening thousands of crystallization conditions fails to yield crystals of sufficient quality for structural characterization. Here, the rates of crystal identification for thaumatin, catalase and myoglobin using microfluidic Crystal Former devices and sitting-drop vapour-diffusion plates are compared. It is shown that the Crystal Former results in a greater number of identified initial crystallization conditions compared with vapor diffusion. Furthermore, crystals of thaumatin and lysozyme obtained in the Crystal Former were used directly for structure determination both in situ and upon harvesting and cryocooling. On the basis of these results, a crystallization strategy is proposed that uses multiple methods with distinct kinetic trajectories through the protein phase diagram to increase the output of crystallization pipelines.

  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. 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.

  19. Neural Network Modeling of Structured Packing Height Equivalent to a Theoretical Plate

    E-Print Network [OSTI]

    Eldridge, R. Bruce

    -transfer ef- ficiency in structured packing. Column designers use the HETP to calculate the height of packing properties of the chemical system, and the operating conditions of the column. In a previous paper, Whaley et a detailed investigation of the parameters which impact the performance of structured packing in distillation

  20. Hidden Markov Models That Use Predicted Local Structure for Fold Recognition: Alphabets of Backbone Geometry

    E-Print Network [OSTI]

    Karplus, Kevin

    -state classification of secondary structure that places a residue in one of three categories: helix, sheet, or coil. This is a broad classification, as it provides little information about the coil category that accounts for 45.2,24,25 One group used only secondary structure information to build a template library of HMMs

  1. Dynamics of structures coupled with elastic media -a review of numerical models and methods

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    ), the structure's environment is restricted here to a large and possibly unbounded visco-elastic medium. Under in the field of structure-environment interaction problems, in which the environment is an elastic body and vibration emitted by transportation systems and wave diffraction by obstacles in an elastic medium

  2. Modelling the mechanical interaction between flowing materials and retaining wire structures

    E-Print Network [OSTI]

    Gagliardini, Olivier

    Recherche Erosion Torrentielle Neige et Avalanches, Grenoble, France b EI Montagne, Grenoble, France c material and an open structure made of a metallic mesh. This paper presents some theoretical results, first material maintained in part by an open structure, for instance a wire mesh, is frequently encountered

  3. ROBUST FAULT DETECTION BASED ON MULTIPLE FUNCTIONAL SERIES TAR MODELS FOR STRUCTURES WITH TIME-DEPENDENT

    E-Print Network [OSTI]

    Boyer, Edmond

    Health Monitoring of operating wind turbines is challenging, as those structures are characterized, analyzed and compared within the problem of vibration based fault detection on operating wind turbines. The particular case of operating wind turbines is challeng- ing, as those structures are characterized by complex

  4. Structural fluctuations and quantum transport through DNA molecular wires: a combined molecular dynamics and model Hamiltonian approach

    E-Print Network [OSTI]

    R. Gutierrez; R. Caetano; P. B. Woiczikowski; T. Kubar; M. Elstner; G. Cuniberti

    2009-10-02T23:59:59.000Z

    Charge transport through a short DNA oligomer (Dickerson dodecamer) in presence of structural fluctuations is investigated using a hybrid computational methodology based on a combination of quantum mechanical electronic structure calculations and classical molecular dynamics simulations with a model Hamiltonian approach. Based on a fragment orbital description, the DNA electronic structure can be coarse-grained in a very efficient way. The influence of dynamical fluctuations arising either from the solvent fluctuations or from base-pair vibrational modes can be taken into account in a straightforward way through time series of the effective DNA electronic parameters, evaluated at snapshots along the MD trajectory. We show that charge transport can be promoted through the coupling to solvent fluctuations, which gate the onsite energies along the DNA wire.

  5. Neutrinos in the holographic dark energy model: constraints from latest measurements of expansion history and growth of structure

    E-Print Network [OSTI]

    Jing-Fei Zhang; Ming-Ming Zhao; Yun-He Li; Xin Zhang

    2015-02-13T23:59:59.000Z

    The model of holographic dark energy (HDE) with massive neutrinos and/or dark radiation is investigated in detail. The background and perturbation evolutions in the HDE model are calculated. We employ the PPF approach to overcome the gravity instability difficulty (perturbation divergence of dark energy) led by the equation-of-state parameter $w$ evolving across the phantom divide $w=-1$ in the HDE model with $cradiation on the CMB anisotropy power spectrum and the matter power spectrum in the HDE scenario are discussed. Furthermore, we constrain the models of HDE with massive neutrinos and/or dark radiation by using the latest measurements of expansion history and growth of structure, including the Planck CMB temperature data, the baryon acoustic oscillation data, the JLA supernova data, the Hubble constant direct measurement, the cosmic shear data of weak lensing, the Planck CMB lensing data, and the redshift space distortions data. We find that $\\sum m_\

  6. Neutrinos in the holographic dark energy model: constraints from latest measurements of expansion history and growth of structure

    E-Print Network [OSTI]

    Zhang, Jing-Fei; Li, Yun-He; Zhang, Xin

    2015-01-01T23:59:59.000Z

    The model of holographic dark energy (HDE) with massive neutrinos and/or dark radiation is investigated in detail. The background and perturbation evolutions in the HDE model are calculated. We employ the PPF approach to overcome the gravity instability difficulty (perturbation divergence of dark energy) led by the equation-of-state parameter $w$ evolving across the phantom divide $w=-1$ in the HDE model with $cdark radiation on the CMB anisotropy power spectrum and the matter power spectrum in the HDE scenario are discussed. Furthermore, we constrain the models of HDE with massive neutrinos and/or dark radiation by using the latest measurements of expansion history and growth of structure, including the Planck CMB temperature data, the baryon acoustic oscillation data, the JLA supernova data, the Hubble constant direct measurement, the cosmic shear...

  7. Modeling multi-stream flow in collisionless matter: approximations for large-scale structure beyond shell-crossing

    E-Print Network [OSTI]

    Thomas Buchert; Alvaro Dominguez

    1998-05-27T23:59:59.000Z

    The generally held view that a model of large-scale structure, formed by collisionless matter in the Universe, can be based on the matter model ``dust'' fails in the presence of multi-stream flow, i.e., velocity dispersion. We argue that models for large-scale structure should rather be constructed for a flow which describes the average motion of a multi-stream system. We present a clearcut reasoning how to approach the problem and derive an evolution equation for the mean peculiar-velocity relative to background solutions of Friedmann-Lema\\^\\i tre type. We consider restrictions of the nonlinear problem and show that the effect of velocity dispersion gives rise to an effective viscosity of non-dissipative gravitational origin. We discuss subcases which arise naturally from this approach: the ``sticky particle model'' and the ``adhesion approximation''. We also construct a novel approximation that features adhesive action in the multi-stream regime while conserving momentum, which was considered a drawback of the standard approximation based on Burger's equation. We finally argue that the assumptions made to obtain these models should be relaxed and we discuss how this can be achieved.

  8. age-structured dynamical models: Topics by E-print Network

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

    does not migrate. Le, Thuc Manh; Van Minh, Nguyen 2010-01-01 36 Galactic Nonlinear Dynamic Model Mathematical Physics (arXiv) Summary: We develop a model for spiral galaxies...

  9. Annealing contour Monte Carlo algorithm for structure optimization in an off-lattice protein model

    E-Print Network [OSTI]

    Liang, Faming

    . For example, the HP model1 treats each amino acid as a point particle and restricts the model to fold of the energy landscape, so it is an excellent tool for Monte Carlo optimization. The ACMC algorithm is an accel

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

    E-Print Network [OSTI]

    Mieloszyk, Alexander James

    2012-01-01T23:59:59.000Z

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

  11. Computational approaches to modeling the conserved structural core among distantly homologous proteins

    E-Print Network [OSTI]

    Menke, Matthew Ewald, 1978-

    2009-01-01T23:59:59.000Z

    Modem techniques in biology have produced sequence data for huge quantities of proteins, and 3-D structural information for a much smaller number of proteins. We introduce several algorithms that make use of the limited ...

  12. Direct comparison of Neural Network, Fuzzy Logic and Model Prediction Variable Structure vortex flow controllers

    E-Print Network [OSTI]

    Joshi, Praveen Sudhakar

    1999-01-01T23:59:59.000Z

    Predictive Variable Structure and Fuzzy Logic based controllers for the same benchmark problem. Evaluation criteria consist of closed-loop system performance, activity level of the VFC nozzles, ease of controller synthesis, time required to synthesize...

  13. STRUCTURAL MODELING OF PROTEIN-PROTEIN INTERACTIONS USING MULTIPLE-CHAIN THREADING AND FRAGMENT ASSEMBLY

    E-Print Network [OSTI]

    Mukherjee, Srayanta

    2011-12-31T23:59:59.000Z

    approach using TM-score as the objective function. However, the traditional NW dynamic programming was redesigned to prevent the cross alignment of chains during the structure alignment process. Driven by the knowledge obtained from MM-align that protein...

  14. Structure-based model for light-harvesting properties of nucleic acid nanostructures

    E-Print Network [OSTI]

    Pan, Keyao

    Programmed self-assembly of DNA enables the rational design of megadalton-scale macromolecular assemblies with sub-nanometer scale precision. These assemblies can be programmed to serve as structural scaffolds for secondary ...

  15. Adaptive Hierarchical Multiscale Framework for Modeling the Deformation of Ultra-Strong Nano-structured Materials

    E-Print Network [OSTI]

    Ghoniem, Nasr M.

    , we plan to investigate the deformation characteris- tics of two classes of nano-structured materials. The proposed research will also impact graduate education world-wide by the developme

  16. First-principles molecular modeling of structure-property relationships and reactivity in the zeolite chabazite

    E-Print Network [OSTI]

    Lo, Cynthia

    2005-01-01T23:59:59.000Z

    Zeolites are crystalline, porous aluminosilicates; while a pure silicate structure is charge-neutral, the substitution of A1³? for Si?? creates in the framework a negative charge, which can be compensated by a proton that ...

  17. Model-based design of an ultra high performance concrete support structure for a wind turbine

    E-Print Network [OSTI]

    Wang, Zheng, M. Eng. Massachusetts Institute of Technology

    2007-01-01T23:59:59.000Z

    A support tower is the main structure which would support rotor, power transmission and control systems, and elevates the rotating blades above the earth boundary layer. A successful design should ensure safe, efficient ...

  18. A model of the subsurface structure at the Rye Patch geothermal...

    Open Energy Info (EERE)

    structure at the Rye Patch geothermal reservoir based on surface-to-borehole seismic data Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: A...

  19. Energy pathways and structures of oceanic eddies from the ECCO2 State Estimate and Simplified Models

    E-Print Network [OSTI]

    Chen, Ru, Ph. D. Massachusetts Institute of Technology

    2013-01-01T23:59:59.000Z

    Studying oceanic eddies is important for understanding and predicting ocean circulation and climate variability. The central focus of this dissertation is the energy exchange between eddies and mean ow and banded structures ...

  20. Integrating structure in the probabilistic model for Information Retrieval Mathias Gery Christine Largeron Franck Thollard

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    .gery,largeron,thollard}@univ-st-etienne.fr Abstract In databases or in the World Wide Web, many documents are in a structured format (e.g. XML). We provided by structure can be used to emphasize some particular words or some parts of the textual document. Consequently, a word does not have the same importance if it is emphasized (e.g. bold font, italic, etc

  1. 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.

  2. A New Empirical Model for the Structural Analysis of Early-type Galaxies and a Critical Review of the Nuker Model

    E-Print Network [OSTI]

    Alister W. Graham; Peter Erwin; Ignacio Trujillo; Andres Asensio Ramos

    2003-06-02T23:59:59.000Z

    The Nuker law was designed to match the inner few (~3-10) arcseconds of predominantly nearby (< 30 Mpc) early-type galaxy light-profiles; it was never intended to describe an entire profile. The Sersic model, on the other hand, was developed to fit the entire profile; however, due to the presence of partially depleted galaxy cores, the Sersic model cannot always describe the very inner region. We have therefore developed a new empirical model consisting of an inner power-law, a transition region, and an outer Sersic model to connect the inner and outer structure of elliptical galaxies. Moreover, the stability of the Nuker model parameters are investigated. Surprisingly, none are found to be stable quantities; all are shown to vary systematically with a profile's fitted radial extent, and often by more than 100%. Considering elliptical galaxies spanning a range of 7.5 magnitudes, the central stellar density of the underlying host galaxy is observed to increase with galaxy luminosity until the onset of core formation, detected only in the brightest elliptical galaxies. We suggest that the so-called ``power-law'' galaxies may actually be described by the Sersic model over their entire radial range.

  3. AN INVESTIGATION OF THE TYPE M MORPHOLOGICAL STRUCTURE OF IC59: A NEW MODEL FOR BRIGHT RIM CLOUDS?

    SciTech Connect (OSTI)

    Miao Jingqi [Centre for Astrophysics and Planetary Science, School of Physical Sciences, University of Kent, Canterbury, Kent CT2 7NR (United Kingdom); Sugitani, Koji [Institute of Natural Sciences, Nagoya City University, Mizuho-ku, Nagoya 467-8501 (Japan); White, Glenn J. [Centre for Earth, Planetary, Space and Astronomical Research, The Open University, Walton Hall, Milton Keynes, MK7 6AA (United Kingdom); Nelson, Richard P., E-mail: J.Miao@kent.ac.u [School of Mathematical Sciences, Queen Mary College, University of London, Mile End Road, London E1 4NS (United Kingdom)

    2010-07-10T23:59:59.000Z

    We report the results from a smoothed particle hydrodynamics simulation designed to model recent observational data on the nebula and Bright Rim Cloud IC59. We further examine, in the context of radiative-driven implosion (RDI) models, the possible formation mechanisms of the morphological structure of IC59. The results of the simulation reveal the existence of a new, fourth morphological state for Bright Rim Clouds (BRCs)-which we propose to call a Type M BRC morphology. We discuss the necessary conditions for the appearance of Type M BRCs, based on analytical and numerical simulations. The simulated physical properties from our model are consistent with the available observations of IC59. We further show that the prospect of RDI triggered star formation in all Type M BRCs is not supported by the simulations.

  4. Structural Analysis of a New Design of a Glenoid Prosthesis by Finite Element Modeling

    E-Print Network [OSTI]

    Downey, John A

    1990-01-01T23:59:59.000Z

    18 Abstract Prosthesis loosening in total shoulderexcision. Present glenoid prostheses have fixation only inDesign of a Glenoid Prosthesis by Finite Element Modeling By

  5. 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

    optimal 2 m fractional factorial designs of resolution V,2000. Model-robust factorial designs. Technometrics, 42(4),1979. A screening design for factorial experiments with

  6. Structural-chemical modeling of transition of coals to the plastic state

    SciTech Connect (OSTI)

    A.M. Gyul'maliev; S.G. Gagarin [FGUP Institute for Fossil Fuels, Moscow (Russian Federation)

    2007-02-15T23:59:59.000Z

    The structural-chemical simulation of the formation of plastic state during the thermal treatment (pyrolysis, coking) of coals is based on allowance for intermolecular interactions in the organic matter. The feasibility of transition of coals to the plastic state is determined by the ratio between the onset plastic state (softening) and runaway degradation temperatures, values that depend on the petrographic composition and the degree of metamorphism of coals and the distribution of structural and chemical characteristics of organic matter. 33 refs., 8 figs., 2 tabs.

  7. Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme

    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 SolarStructure of the Kinase Domain of CaMKII

  8. Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme

    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 SolarStructure of the Kinase Domain of

  9. Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme

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

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

  10. Protein structure and hydration probed by SANS and osmotic stress

    SciTech Connect (OSTI)

    Rau, Dr. Donald [National Institutes of Health

    2008-01-01T23:59:59.000Z

    Interactions governing protein folding, stability, recognition, and activity are mediated by hydration. Here, we use small-angle neutron scattering coupled with osmotic stress to investigate the hydration of two proteins, lysozyme and guanylate kinase (GK), in the presence of solutes. By taking advantage of the neutron contrast variation that occurs upon addition of these solutes, the number of protein-associated (solute-excluded) water molecules can be estimated from changes in both the zero-angle scattering intensity and the radius of gyration. Poly(ethylene glycol) exclusion varies with molecular weight. This sensitivity can be exploited to probe structural features such as the large internal GK cavity. For GK, small-angle neutron scattering is complemented by isothermal titration calorimetry with osmoticstress to also measure hydration changes accompanying ligand binding. These results provide a framework for studying other biomolecular systems and assemblies using neutron scattering together with osmotic stress.

  11. Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids

    SciTech Connect (OSTI)

    Nguyen, Hung T. [BioMaPS Institute for Quantitative Biology, Rutgers University, Piscataway, New Jersey 08854 (United States); Pabit, Suzette A.; Meisburger, Steve P.; Pollack, Lois [School of Applied and Engineering Physics, Cornell University, Ithaca, New York 14853 (United States); Case, David A., E-mail: case@biomaps.rutgers.edu [BioMaPS Institute for Quantitative Biology, Rutgers University, Piscataway, New Jersey 08854 (United States); Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854 (United States)

    2014-12-14T23:59:59.000Z

    A new method is introduced to compute X-ray solution scattering profiles from atomic models of macromolecules. The three-dimensional version of the Reference Interaction Site Model (RISM) from liquid-state statistical mechanics is employed to compute the solvent distribution around the solute, including both water and ions. X-ray scattering profiles are computed from this distribution together with the solute geometry. We describe an efficient procedure for performing this calculation employing a Lebedev grid for the angular averaging. The intensity profiles (which involve no adjustable parameters) match experiment and molecular dynamics simulations up to wide angle for two proteins (lysozyme and myoglobin) in water, as well as the small-angle profiles for a dozen biomolecules taken from the BioIsis.net database. The RISM model is especially well-suited for studies of nucleic acids in salt solution. Use of fiber-diffraction models for the structure of duplex DNA in solution yields close agreement with the observed scattering profiles in both the small and wide angle scattering (SAXS and WAXS) regimes. In addition, computed profiles of anomalous SAXS signals (for Rb{sup +} and Sr{sup 2+}) emphasize the ionic contribution to scattering and are in reasonable agreement with experiment. In cases where an absolute calibration of the experimental data at q = 0 is available, one can extract a count of the excess number of waters and ions; computed values depend on the closure that is assumed in the solution of the Ornstein–Zernike equations, with results from the Kovalenko–Hirata closure being closest to experiment for the cases studied here.

  12. The mathematical structure of multiphase thermal models of flow in porous media

    E-Print Network [OSTI]

    - tions, Darcy's law for volumetric flow rates and an energy equation in terms of enthalpy. The model with the formulation and numerical solution of equations for modelling multicomponent, two-phase, thermal fluid flow is closed with an equation of state and phase equilibrium con- ditions that determine the distribution

  13. Senescence and antibiotic resistance in an age-structured population model

    E-Print Network [OSTI]

    Gedeon, Tomas

    of Staphylococcus aureus (MRSA) has been modeled. One strain, community acquired CA-MRSA was assumed to have higher growth rate than the hospital acquired strain HA-MRSA. In agreement with the principle of competitive exclusion [15, 37] the model [11] predicts that CA-MRSA will eventually dominate and outcompete HA-MRSA

  14. Research Article A Network Modeling Approach for the Spatial Distribution and Structure

    E-Print Network [OSTI]

    Zhang, Aidong

    and diseased bone of 20­30 to 70­80 year-olds demonstrated the method's effectiveness for modeling osteoporosis data in clinical trials. KEY WORDS: bone; imaging; modeling; osteoporosis. INTRODUCTION According to the International Osteoporosis Foundation, osteoporosis is estimated to affect 200 million women and cause

  15. Modelling of Structures in Fire: An Example of the Boundary Condition 

    E-Print Network [OSTI]

    Jowsey, Allan; Torero, Jose L; Usmani, Asif

    The collapse of the World Trade Center Towers 1, 2 and 7 on September 11th 2001 has highlighted the need for proper understanding of the behaviour of structures in the event of a fire. A detailed analysis of the fires and the behaviour...

  16. 168 / JOURNAL OF STRUCTURAL ENGINEERING / FEBRUARY 2001 GUST LOADING FACTOR: NEW MODEL

    E-Print Network [OSTI]

    Kareem, Ahsan

    to the mean wind force multiplied by the GLF. Although the traditional GLF method ensures an accurate force multiplied by a GLF. The GLF accounts for the dynamics of wind fluctuations and any load and Ahsan Kareem,2 Member, ASCE ABSTRACT: Wind loads on structures under the buffeting action of wind gusts

  17. Modeling Actuation Forces and Strains in Nastic Structures Luke A. Matthews, Victor Giurgiutiu

    E-Print Network [OSTI]

    Giurgiutiu, Victor

    Mechanical Engineering, University of South Carolina, 300 Main Street, Columbia, SC, 29208 ABSTRACT Nastic and flower surfaces to face light sources. The nastic structures considered in this paper are composed botanical generations and allows leaves to maximize their surface facing the sun to attain more solar energy

  18. Wavelet-based cascade model for intermittent structure in terrestrial environments

    E-Print Network [OSTI]

    Wilson, D Keith; Vecherin, Sergey N

    2013-01-01T23:59:59.000Z

    A wavelet-like model for distributions of objects in natural and man-made terrestrial environments is developed. The model is constructed in a self-similar fashion, with the sizes, amplitudes, and numbers of objects occurring at a constant ratios between parent and offspring objects. The objects are randomly distributed in space according to a Poisson process. Fractal supports and a cascade model are used to organize objects intermittently in space. In its basic form, the model is for continuously varying random fields, although a level-cut is introduced to model two-phase random media. The report begins with a description of relevant concepts from fractal theory, and then progresses through static (time-invariant), steady-state, and non-steady models. The results can be applied to such diverse phenomena as turbulence, geologic distributions, urban buildings, vegetation, and arctic ice floes. The model can be used as a basis for synthesizing realistic terrestrial scenes, and for predicting the performance of ...

  19. Structure of finite-RSB asymptotic Gibbs measures in the diluted spin glass models

    E-Print Network [OSTI]

    Dmitry Panchenko

    2015-02-25T23:59:59.000Z

    We suggest a possible approach to proving the M\\'ezard-Parisi formula for the free energy in the diluted spin glass models, such as diluted K-spin or random K-sat model at any positive temperature. In the main contribution of the paper, we show that a certain small modification of the Hamiltonian in any of these models forces all finite-RSB asymptotic Gibbs measures in the sense of the overlaps to satisfy the M\\'ezard-Parisi ansatz for the distribution of spins. Unfortunately, what is still missing is a description of the general full-RSB asymptotic Gibbs measures. If one could show that the general case can be approximated by finite-RSB case in the right sense then one could a posteriori remove the small modification of the Hamiltonian to recover the M\\'ezard-Parisi formula for the original model.

  20. Towards a Formal Semantics for a Structurally Dynamic Noncausal Modelling Language

    E-Print Network [OSTI]

    Nilsson, Henrik

    modelling approach, promoting the reuse of components. Modelica is a prime example of this class of lan, many of these languages are referred to as object-oriented mod- elling languages. Modelica [23] is one

  1. Dynamic soil-structure interaction-comparison of FEM model with experimental results

    E-Print Network [OSTI]

    Srinivasan, Palanivel Rajan

    2000-01-01T23:59:59.000Z

    to represent twenty different laboratory experiments. The results of these models are compared with results available from extensive experimental dynamic testing on a geotechnical centrifuge. Though the various results from the finite element analysis...

  2. A Structurally Based Investigation of Abdominal Aortic Aneurysms in Mouse Models 

    E-Print Network [OSTI]

    Collins, Melissa

    2012-02-14T23:59:59.000Z

    parameters of the two vessels that experience AAAs in different models, but also the effects of three major components of AAA formation. Biaxial mechanical tests were performed using a modified computer- controlled device. We examined the solid mechanics...

  3. RELAP5/MOD3 code manual: Code structure, system models, and solution methods. Volume 1

    SciTech Connect (OSTI)

    NONE

    1995-08-01T23:59:59.000Z

    The RELAP5 code has been developed for best estimate transient simulation of light water reactor coolant systems during postulated accidents. The code models the coupled behavior of the reactor coolant system and the core for loss-of-coolant accidents, and operational transients, such as anticipated transient without scram, loss of offsite power, loss of feedwater, and loss of flow. A generic modeling, approach is used that permits simulating a variety of thermal hydraulic systems. Control system and secondary system components are included to permit modeling of plant controls, turbines, condensers, and secondary feedwater systems. RELAP5/MOD3 code documentation is divided into seven volumes: Volume I provides modeling theory and associated numerical schemes.

  4. Vehicle Technologies Office Merit Review 2014: Validation of Material Models for Automotive Carbon Fiber Composite Structures

    Broader source: Energy.gov [DOE]

    Presentation given by General Motors at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about validation of material models...

  5. Assessing Invariance of Factor Structures and Polytomous Item Response Model Parameter Estimates

    E-Print Network [OSTI]

    Reyes, Jennifer McGee

    2012-02-14T23:59:59.000Z

    .e., identical items, different people) for the homogenous graded response model (Samejima, 1969) and the partial credit model (Masters, 1982)? To evaluate measurement invariance using IRT methods, the item discrimination and item difficulty parameters... obtained from the GRM need to be equivalent across datasets. The YFCY02 and YFCY03 GRM item discrimination parameters (slope) correlation was 0.828. The YFCY02 and YFCY03 GRM item difficulty parameters (location) correlation was 0...

  6. Modeling and Algorithmic Approaches to Constitutively-Complex, Micro-structured Fluids

    SciTech Connect (OSTI)

    Forest, Mark Gregory [University of North Carolina at Chapel Hill] [University of North Carolina at Chapel Hill

    2014-05-06T23:59:59.000Z

    The team for this Project made significant progress on modeling and algorithmic approaches to hydrodynamics of fluids with complex microstructure. Our advances are broken down into modeling and algorithmic approaches. In experiments a driven magnetic bead in a complex fluid accelerates out of the Stokes regime and settles into another apparent linear response regime. The modeling explains the take-off as a deformation of entanglements, and the longtime behavior is a nonlinear, far-from-equilibrium property. Furthermore, the model has predictive value, as we can tune microstructural properties relative to the magnetic force applied to the bead to exhibit all possible behaviors. Wave-theoretic probes of complex fluids have been extended in two significant directions, to small volumes and the nonlinear regime. Heterogeneous stress and strain features that lie beyond experimental capability were studied. It was shown that nonlinear penetration of boundary stress in confined viscoelastic fluids is not monotone, indicating the possibility of interlacing layers of linear and nonlinear behavior, and thus layers of variable viscosity. Models, algorithms, and codes were developed and simulations performed leading to phase diagrams of nanorod dispersion hydrodynamics in parallel shear cells and confined cavities representative of film and membrane processing conditions. Hydrodynamic codes for polymeric fluids are extended to include coupling between microscopic and macroscopic models, and to the strongly nonlinear regime.

  7. Structural model and spectroscopic characteristics of the FMO antenna protein from the aerobic chlorophototroph, Candidatus Chloracidobacterium thermophilum

    SciTech Connect (OSTI)

    Wen, Jianzhong; Tsukatani, Yusuke; Cui, Weidong; Zhang, Hao; Gross, Michael L; Bryant, Donald A; Blankenship, R. E.

    2011-01-01T23:59:59.000Z

    The Fenna–Matthews–Olson protein (FMO) binds seven or eight bacteriochlorophyll a (BChl a) molecules and is an important model antenna system for understanding pigment-protein interactions and mechanistic aspects of photosynthetic light harvesting. FMO proteins of green sulfur bacteria (Chlorobiales) have been extensively studied using a wide range of spectroscopic and theoretical approaches because of their stability, the spectral resolution of their pigments, their water-soluble nature, and the availability of high-resolution structural data. We obtained new structural and spectroscopic insights by studying the FMO protein from the recently discovered, aerobic phototrophic acidobacterium, Candidatus Chloracidobacterium thermophilum. Native C. thermophilum FMO is a trimer according to both analytical gel filtration and native-electrospray mass spectrometry. Furthermore, the mass of intact FMO trimer is consistent with the presence of 21–24 BChl a in each. Homology modeling of the C. thermophilum FMO was performed by using the structure of the FMO protein from Chlorobaculum tepidum as a template. C. thermophilum FMO differs from C. tepidum FMO in two distinct regions: the baseplate, CsmA-binding region and a region that is proposed to bind the reaction center subunit, PscA. C. thermophilum FMO has two fluorescence emission peaks at room temperature but only one at 77 K. Temperature-dependent fluorescence spectroscopy showed that the two room-temperature emission peaks result from two excited-state BChl a populations that have identical fluorescence lifetimes. Modeling of the data suggests that the two populations contain 1–2 BChl and 5–6 BChl a molecules and that thermal equilibrium effects modulate the relative population of the two emitting states.

  8. Periodic-orbit approach to the nuclear shell structures with power-law potential models: Bridge orbits and prolate-oblate asymmetry

    E-Print Network [OSTI]

    Ken-ichiro Arita

    2012-09-10T23:59:59.000Z

    Deformed shell structures in nuclear mean-field potentials are systematically investigated as functions of deformation and surface diffuseness. As the mean-field model to investigate nuclear shell structures in a wide range of mass numbers, we propose the radial power-law potential model, V \\propto r^\\alpha, which enables a simple semiclassical analysis by the use of its scaling property. We find that remarkable shell structures emerge at certain combinations of deformation and diffuseness parameters, and they are closely related to the periodic-orbit bifurcations. In particular, significant roles of the "bridge orbit bifurcations" for normal and superdeformed shell structures are pointed out. It is shown that the prolate-oblate asymmetry in deformed shell structures is clearly understood from the contribution of the bridge orbit to the semiclassical level density. The roles of bridge orbit bifurcations in the emergence of superdeformed shell structures are also discussed.

  9. Millimeter radiation from a 3D model of the solar atmosphere I. Diagnosing chromospheric thermal structure

    E-Print Network [OSTI]

    Loukitcheva, Maria; Carlsson, Mats; White, Stephen

    2015-01-01T23:59:59.000Z

    Aims. We use advanced 3D NLTE radiative magnetohydrodynamic simulations of the solar atmosphere to carry out detailed tests of chromospheric diagnostics at millimeter and submillimeter wavelengths. Methods. We focused on the diagnostics of the thermal structure of the chromosphere in the wavelength bands from 0.4 mm up to 9.6 mm that can be accessed with the Atacama Large Millimeter/Submillimeter Array (ALMA) and investigated how these diagnostics are affected by the instrumental resolution. Results. We find that the formation height range of the millimeter radiation depends on the location in the simulation domain and is related to the underlying magnetic structure. Nonetheless, the brightness temperature is a reasonable measure of the gas temperature at the effective formation height at a given location on the solar surface. There is considerable scatter in this relationship, but this is significantly reduced when very weak magnetic fields are avoided. Our results indicate that although instrumental smearin...

  10. Structure and dynamics of model colloidal clusters with short-range attractions

    E-Print Network [OSTI]

    Robert S. Hoy

    2015-01-28T23:59:59.000Z

    We examine the structure and dynamics of small isolated $N$-particle clusters interacting via short-ranged Morse potentials. "Ideally preprared ensembles" obtained via exact enumeration studies of sticky hard sphere packings serve as reference states allowing us to identify key statistical-geometrical properties and to quantitatively characterize how nonequilibrium ensembles prepared by thermal quenches at different rates $\\dot{T}$ differ from their equilibrium counterparts. Studies of equilibrium dynamics show nontrival temperature dependence: nonexponential relaxation indicates both glassy dynamics and differing stabilities of degenerate clusters with different structures. Our results should be useful for extending recent experimental studies of small colloidal clusters to examine both equilibrium relaxation dynamics at fixed $T$ and a variety of nonequilibrium phenomena.

  11. Why does the Standard Model fail to explain the elementary particles structure?

    E-Print Network [OSTI]

    Yuri A. Rylov

    2008-10-06T23:59:59.000Z

    It is shown, that our contemporary knowledge of geometry is insufficient, because we know only axiomatizable geometries. With such a knowledge of geometry one cannot investigate properly physics of microcosm and structure of elementary particles. One can obtain only a phenomenological systematics of elementary particles, whose construction does not need a discrimination mechanism. The discrimination mechanism, responsible for discrete characteristics of elementary particles, can be created only on the basis of a granular (discrete and continuous simultaneously) space-time geometry.

  12. Relation between local diffusivity and local inherent structures in the Kob-Andersen Lennard-Jones model

    E-Print Network [OSTI]

    Sciortino, Francesco

    , their energy of the local minima referred to as inherent struc- tures , eIS IS' stands for inherent structures­10 . For the case of the Kob-Andersen Lennard-Jones model 11,12 , the number eIS deIS of dis- tinct basins of energy depth between eIS and eIS+deIS follows a Gaussian distribution 5,6 eIS deIS = e Ne- eIS - Eo 2/2 2 2 2

  13. FIRESTRUC - Integrating advanced three-dimensional modelling methodologies for predicting thermo-mechanical behaviour of steel and composite structures subjected to natural fires 

    E-Print Network [OSTI]

    Welch, Stephen; Miles, Steward; Kumar, Suresh; Lemaire, Tony; Chan, Alan

    A hierarchy of coupling strategies for integrating advanced three-dimensional modelling methodologies for prediction of the thermo-mechanical response of structures in fire has been developed and systematically assessed. ...

  14. Beyond the growth rate of cosmic structure: Testing modified gravity models with an extra degree of freedom

    E-Print Network [OSTI]

    Burrage, Clare; Seery, David

    2015-01-01T23:59:59.000Z

    In 'modified' gravity the observed acceleration of the universe is explained by changing the gravitational force law or the number of degrees of freedom in the gravitational sector. Both possibilities can be tested by measurements of cosmological structure formation. In this paper we elaborate the details of such tests using the Galileon model as a case study. We pay attention to the possibility that each new degree of freedom may have stochastically independent initial conditions, generating different types of potential well in the early universe and breaking complete correlation between density and velocity power spectra. This 'stochastic bias' can confuse schemes to parametrize the predictions of modified gravity models, such as the use of the growth parameter f alone. Using data from the WiggleZ Dark Energy Survey we show that it will be possible to obtain constraints using information about the cosmological-scale force law embedded in the multipole power spectra of redshift-space distortions. As an examp...

  15. Fixed Points Structure & Effective Fractional Dimension for O(N) Models with Long-Range Interactions

    E-Print Network [OSTI]

    Nicolo Defenu; Andrea Trombettoni; Alessandro Codello

    2014-11-25T23:59:59.000Z

    We study O(N) models with power-law interactions by using functional renormalization group methods: we show that both in Local Potential Approximation (LPA) and in LPA' their critical exponents can be computed from the ones of the corresponding short-range O(N) models at an effective fractional dimension. In LPA such effective dimension is given by $D_{eff}=2d/\\sigma$, where d is the spatial dimension and $d+\\sigma$ is the exponent of the power-law decay of the interactions. In LPA' the prediction by Sak [Phys. Rev. B 8, 1 (1973)] for the critical exponent $\\eta$ is retrieved and an effective fractional dimension $D_{eff}'$ is obtained. Using these results we determine the existence of multicritical universality classes of long-range O(N) models and we present analytical predictions for the critical exponent $\

  16. A ffine Regime-Switching Models for Interest Rate Term Structure

    E-Print Network [OSTI]

    Wu, Shu; Zeng, Yong

    2004-01-01T23:59:59.000Z

    shifts is not priced in these models, hence does not contribute independently to bond risk premiums. The purpose of the present paper is to develop a tractable latent factor model that can capture the effects of regime-switching, especially...)/??B(?, st)rt/? , where A(?, s) and B(?, s) are determined by the following differential equations ? ?B(?, s) ?? + a˜1(s)B(?, s) + 1 2 ?1(s)B 2(?, s) + ? E [ e?sA(?sB + h˜1(z))? h˜1(z) ] eh˜0(z)1(s = i)#15;z(dz) = 1 (3.2) and ? ?A(?, s) ?? + a˜0(s)B(?, s) + 1...

  17. A model study of the forces due to oscillatory waves on submerged structures

    E-Print Network [OSTI]

    Versowsky, Paul Edward

    1973-01-01T23:59:59.000Z

    to measure horizontal force and this was recorded on a Hewlett- Packard dual-channel carrier pre-amplifier recorder (model 321) . Recorder outputs are shown in Figs. 13 and 14. Basic sensitivity of the force transducers was 5. 0 grams per millimeter of pen... lengths of two conductor- shielded wire were run from the terminal strip to the Sanborn and Hewlett-Packard recorders shown in Fig. 15. The models were supported at each corner by fine stainless steel wires connected to the four vertical force...

  18. Modeling circulation and thermal structure in Lake Michigan: Annual cycle and interannual variability

    E-Print Network [OSTI]

    the fall cooling, and finally, an overturn in the late fall. Large-scale circulation patterns tend significant progress in hydrodynamic modeling of short- term hydrodynamic processes in the Great Lakes [Schwab was virtually non- existent until the implementation of the Great Lakes Forecast- ing System (GLFS) in the early

  19. Ecient Statistical Modeling for the Compression of Tree Structured Intermediate Code

    E-Print Network [OSTI]

    Shankar, Priti

    . Compressors that work on compiler intermediate representations or virtual machine code are a partial solution to the problem of reducing transmission time. The idea of using syntactic information source models for source used to specify trees. When universal data compressors are applied to the compression of such data

  20. Multiple Object Manipulation: is structural modularity necessary? A study of the MOSAIC and CARMA models

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    -UPMF Grenoble, France Abstract A model that tackles the Multiple Object Manipulation task computationally solves the manipulation problem with a single controller. We provide experimental and theoretical evidence that tend forces? These two questions are central in object manipulation: control and pre- diction, respectively

  1. Mathematical Geology, Vol. 34, No. 1, January 2002 ( C 2002) On Modelling Discrete Geological Structures

    E-Print Network [OSTI]

    Baran, Sándor

    Mathematical Geology, Vol. 34, No. 1, January 2002 ( C 2002) On Modelling Discrete Geological there is a large amount of missing observations, which often is the case in geological applications. We make,predictions,MarkovchainMonteCarlo,simulatedannealing,incomplete observations. INTRODUCTION In many geological applications, there is an interest in predicting properties

  2. Modeling of Power and Energy Transduction of Embedded Piezoelectric Wafer Active Sensors for Structural Health Monitoring

    E-Print Network [OSTI]

    Giurgiutiu, Victor

    chart show the trends in the power and energy flow behavior with remarkable peaks and valleys that can1 Modeling of Power and Energy Transduction of Embedded Piezoelectric Wafer Active Sensors a systematic investigation of power and energy transduction in piezoelectric wafer active sensors (PWAS

  3. Structural Basis of Folding Cooperativity in Model Proteins: Insights from a Microcanonical Perspective

    E-Print Network [OSTI]

    Bachmann, Michael

    characteristic in protein folding. It is defined by a depletion of states that lie energetically between folded have been observed only in lattice models. INTRODUCTION Two-state protein folding is characterized (19,20), and protein folding (21­27). Two remarks are worthwhile: 1. If the transition

  4. Teaching geometric modeling algorithms and data structures through laser scanner acquisition pipeline

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    measurements and finally its instantiation through 3D printing, are presented. Laser scanner acquisition, reconstruction and 3D printing lend well to teaching general concepts in geometric modeling for several reasons. First, starting and ending with real physical 3D objects (the talus and its 3D print) provide

  5. On the Calibration of a Size-Structured Population Model from Experimental Data

    E-Print Network [OSTI]

    Jauffret, Marie Doumic

    (1.1). The total cell quantity N(t) = 0 n(t, x)dx and the total biomass M(t) = 0 xn(t, x] and references therein. Two macroscopic quantities of biological interest are naturally computed from the model(x)n(t, x)dx . This means that the biomass increases only by nutrient uptake. Under reasonable assumptions

  6. A Graph-theoretic Algorithm for Comparative Modeling of Protein Structure

    E-Print Network [OSTI]

    Samudrala, Ram

    are the same (Chothia & Lesk, 1986). This is the case now for about 30% of the general sequences entering for doing this is usually termed comparative or homology modeling. In contrast to progress in generating effects makes the energy surface extremely discontinuous, so that search methods that make semi

  7. QUANTITATIVE ASSESSMENT OF THE IMPACT OF 3D MODELLING OF BUILDING STRUCTURES ON

    E-Print Network [OSTI]

    Sacks, Rafael

    to the firm's overall activity, because the greatest increase in productivity is achieved in this area; that construction companies can leverage the benefits in error reduction and logistics improvements that result PRODUCTIVITY Rafael Sacks1 and Ronen Barak2 ABSTRACT Parametric three-dimensional modelling of buildings

  8. Quark model description of the {ital N}-{ital N} system: Momentum distributions, structure functions, and the EMC effect

    SciTech Connect (OSTI)

    Koepf, W. [School of Physics and Astronomy, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, 69978 Tel Aviv (Israel)] [School of Physics and Astronomy, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, 69978 Tel Aviv (Israel); Wilets, L. [Department of Physics, FM-15, University of Washington, Seattle, Washington 98195 (United States)] [Department of Physics, FM-15, University of Washington, Seattle, Washington 98195 (United States)

    1995-06-01T23:59:59.000Z

    We employ a relativistic quark bag picture, the chromodielectric soliton model, to discuss the quarks` symmetry structure and momentum distribution in the {ital N}-{ital N} system. Six-quark clusters are constructed in a constrained mean-field calculation. The corresponding Hamiltonian contains not only an effective interaction between the quarks and a scalar field, which is assumed to parametrize all nonperturbative effects due to the nonlinearity of QCD, but also quark-quark interactions mediated through one-gluon exchange. We also evaluate the quark light-cone distribution functions, characterizing inclusive deep-inelastic lepton scattering, for the nucleon as well as for the six-quark structures. We find a competition between a softening of the quarks` momenta through the increase of the confinement volume, and a hardening via the admixture of higher symmetry configurations due to the color-electrostatic one-gluon exchange. These findings suggest an unexpected absence of many-nucleon, multiquark effects, even though six-quark structures should represent a nonnegligible part of the nuclear ground state.

  9. Exploration and Modeling of Structural changes in Waste Glass Under Corrosion

    SciTech Connect (OSTI)

    Pantano, Carlos; Ryan, Joseph; Strachan, Denis

    2013-11-10T23:59:59.000Z

    Vitrification is currently the world-wide treatment of choice for the disposition of high-level nuclear wastes. In glasses, radionuclides are atomistically bonded into the solid, resulting in a highly durable product, with borosilicate glasses exhibiting particularly excellent durability in water. Considering that waste glass is designed to retain the radionuclides within the waste form for long periods, it is important to understand the long-term stability of these materials when they react in the environment, especially in the presence of water. Based on a number of previous studies, there is general consensus regarding the mechanisms controlling the initial rate of nuclear waste glass dissolution. Agreement regarding the cause of the observed decrease in dissolution rate at extended times, however, has been elusive. Two general models have been proposed to explain this behavior, and it has been concluded that both concepts are valid and must be taken into account when considering the decrease in dissolution rate. Furthermore, other processes such as water diffusion, ion exchange, and precipitation of mineral phases onto the glass surface may occur in parallel with dissolution of the glass and can influence long-term performance. Our proposed research will address these issues through a combination of aqueous-phase dissolution/reaction experiments and probing of the resulting surface layers with state-of-the-art analytical methods. These methods include solid-state nuclear magnetic resonance (SSNMR) and time-of-flight secondary ion mass spectrometry (TOF-SIMS). The resulting datasets will then be coupled with computational chemistry and reaction-rate modeling to address the most persistent uncertainties in the understanding of glass corrosion, which indeed have limited the performance of the best corrosion models to date. With an improved understanding of corrosion mechanisms, models can be developed and improved that, while still conservative, take advantage of the inherent durability of the waste form to enable secure repositories to be engineered with a much higher density of waste disposition. We propose the synthesis, corrosion, and characterization of two sets of glass samples— containing approximately 8 single-component oxides each—as models for corrosion studies of more complicated glass systems (which can contain in excess of 25 single-component ingredients). Powdered samples and millimeter- sized coupons of these simpler glasses will be corroded in solutions that begin at circumneutral pH, but are known to increase in alkalinity as corrosion proceeds and saturation in silica species is approached. Through carefully selected isotopic substitutions with nuclides that are readily detected with SSNMR and TOF-SIMS methods, we will be able to follow the diffusion of atoms into and out of the reacted surface layers of these glasses and provide new data for testing with existing reaction models. The models can then be further extended or updated to take our new data into account, allowing the existing long-term glass corrosion models to more accurately reflect the extraordinary durability of these systems. With improved models, a significant opportunity exists to better utilize the storage volume of any geologic repository.

  10. The detection and modelling of surface thermal structures and ground water discharges

    E-Print Network [OSTI]

    Roberts, Douglas Vincent

    1985-01-01T23:59:59.000Z

    . , Southern Illinois University Chairman of Advisory Committee: Dr. Earl R. Hoskins On March 29, 1973, data were collected by a thermal infrared scanner mounted in a twin-engine aircraft over a 55-mile stretch of the Clark Fork River in northwestern... on a VAX Il/750 interfaced with an I'S Model 70 processing system. Both qualitative and quantitative processing techniques were employed to identify and describe the surface temperature patterns and ground water discharges into the river. Computer...

  11. THE STRUCTURAL CHEMISTRY OF MOLYBDENUM IN MODEL HIGH LEVEL NUCLEAR WASTE GLASSES, INVESTIGATED BY MO K-EDGE X-RAY ABSORPTION

    E-Print Network [OSTI]

    Sheffield, University of

    THE STRUCTURAL CHEMISTRY OF MOLYBDENUM IN MODEL HIGH LEVEL NUCLEAR WASTE GLASSES, INVESTIGATED of molybdenum in model UK high level nuclear waste glasses was investigated by X-ray Absorption Spectroscopy (XAS). Molybdenum K-edge XAS data were acquired from several inactive simulant high level nuclear waste

  12. Determinantal structures in the O'Connell-Yor directed random polymer model

    E-Print Network [OSTI]

    Takashi Imamura; Tomohiro Sasamoto

    2015-06-18T23:59:59.000Z

    We study the semi-discrete directed random polymer model introduced by O'Connell and Yor. We obtain a representation for the moment generating function of the polymer partition function in terms of a determinantal measure. This measure is an extension of the probability measure of the eigenvalues for the Gaussian Unitary Ensemble (GUE) in random matrix theory. To establish the relation, we introduce another determinantal measure on larger degrees of freedom and consider its few properties, from which the representation above follows immediately.

  13. De novo protein crystal structure determination from X-ray free-electron laser data

    SciTech Connect (OSTI)

    Barends, Thomas, R.M.

    2013-11-25T23:59:59.000Z

    Serial femtosecond crystallography (SFX) data of microcrystals of a lysozyme gadolinium derivative. The data was used to demonstrate de-novo phasing by single anomalous dispersion.

  14. De novo protein crystal structure determination from X-ray free-electron laser data

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

    Barends, Thomas, R.M.

    Serial femtosecond crystallography (SFX) data of microcrystals of a lysozyme gadolinium derivative. The data was used to demonstrate de-novo phasing by single anomalous dispersion.

  15. Identification and Assessment of Material Models for Age-Related Degradation of Structures and Passive Components in Nuclear Power Plants

    SciTech Connect (OSTI)

    Nie,J.; Braverman, J.; Hofmayer, C.; Kim, M. K.; Choi, I-K.

    2009-04-27T23:59:59.000Z

    When performing seismic safety assessments of nuclear power plants (NPPs), the potential effects of age-related degradation on structures, systems, and components (SSCs) should be considered. To address the issue of aging degradation, the Korea Atomic Energy Research Institute (KAERI) has embarked on a five-year research project to develop a realistic seismic risk evaluation system which will include the consideration of aging of structures and components in NPPs. Three specific areas that are included in the KAERI research project, related to seismic probabilistic risk assessment (PRA), are probabilistic seismic hazard analysis, seismic fragility analysis including the effects of aging, and a plant seismic risk analysis. To support the development of seismic capability evaluation technology for degraded structures and components, KAERI entered into a collaboration agreement with Brookhaven National Laboratory (BNL) in 2007. The collaborative research effort is intended to continue over a five year period with the goal of developing seismic fragility analysis methods that consider the potential effects of age-related degradation of SSCs, and using these results as input to seismic PRAs. In the Year 1 scope of work BNL collected and reviewed degradation occurrences in US NPPs and identified important aging characteristics needed for the seismic capability evaluations that will be performed in the subsequent evaluations in the years that follow. This information is presented in the Annual Report for the Year 1 Task, identified as BNL Report-81741-2008 and also designated as KAERI/RR-2931/2008. The report presents results of the statistical and trending analysis of this data and compares the results to prior aging studies. In addition, the report provides a description of U.S. current regulatory requirements, regulatory guidance documents, generic communications, industry standards and guidance, and past research related to aging degradation of SSCs. This report describes the research effort performed by BNL for the Year 2 scope of work. This research focused on methods that could be used to represent the long-term behavior of materials used at NPPs. To achieve this BNL reviewed time-dependent models which can approximate the degradation effects of the key materials used in the construction of structures and passive components determined to be of interest in the Year 1 effort. The intent was to review the degradation models that would cover the most common time-dependent changes in material properties for concrete and steel components.

  16. Nonlinear force-free models for the solar corona I. Two active regions with very different structure

    E-Print Network [OSTI]

    S. Regnier; E. R. Priest

    2007-03-29T23:59:59.000Z

    With the development of new instrumentation providing measurements of solar photospheric vector magnetic fields, we need to develop our understanding of the effects of current density on coronal magnetic field configurations. The object is to understand the diverse and complex nature of coronal magnetic fields in active regions using a nonlinear force-free model. From the observed photospheric magnetic field we derive the photospheric current density for two active regions: one is a decaying active region with strong currents (AR8151), and the other is a newly emerged active region with weak currents (AR8210). We compare the three-dimensional structure of the magnetic fields for both active region when they are assumed to be either potential or nonlinear force-free. The latter is computed using a Grad-Rubin vector-potential-like numerical scheme. A quantitative comparison is performed in terms of the geometry, the connectivity of field lines, the magnetic energy and the magnetic helicity content. For the old decaying active region the connectivity and geometry of the nonlinear force-free model include strong twist and strong shear and are very different from the potential model. The twisted flux bundles store magnetic energy and magnetic helicity high in the corona (about 50 Mm). The newly emerged active region has a complex topology and the departure from a potential field is small, but the excess magnetic energy is stored in the low corona and is enough to trigger powerful flares.

  17. Finite element calculations illustrating a method of model reduction for the dynamics of structures with localized nonlinearities.

    SciTech Connect (OSTI)

    Griffith, Daniel Todd; Segalman, Daniel Joseph

    2006-10-01T23:59:59.000Z

    A technique published in SAND Report 2006-1789 ''Model Reduction of Systems with Localized Nonlinearities'' is illustrated in two problems of finite element structural dynamics. That technique, called here the Method of Locally Discontinuous Basis Vectors (LDBV), was devised to address the peculiar difficulties of model reduction of systems having spatially localized nonlinearities. It's illustration here is on two problems of different geometric and dynamic complexity, but each containing localized interface nonlinearities represented by constitutive models for bolted joint behavior. As illustrated on simple problems in the earlier SAND report, the LDBV Method not only affords reduction in size of the nonlinear systems of equations that must be solved, but it also facilitates the use of much larger time steps on problems of joint macro-slip than would be possible otherwise. These benefits are more dramatic for the larger problems illustrated here. The work of both the original SAND report and this one were funded by the LDRD program at Sandia National Laboratories.

  18. 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...

  19. Exploration concept and characteristic of the dinarides stratigraphic and structural model in the Croatian offshore area

    SciTech Connect (OSTI)

    Grandic, S. (Western Geophysical, Isleworth, Middlesex (United Kingdom)); Susterciv, M.; Balas, E. (Ina-Naftaplin, Zagreb (Croatia))

    1993-09-01T23:59:59.000Z

    The Dinarides Mesozoic carbonate platform constitutes an extensive paleogeographic unit of the Neo-Tethys platform system. Despite a large sedimentary complex within the platform displaying good hydrocarbon potential, no economic oil accumulations have as yet been discovered. A detailed study of the latest seismic and well data from the Kornati block and other relevant areas suggests, however, that a modified exploration scenario, based on the following elements, could be proposed: (1) Systematic lateral distribution of potential petroliferous facies between the Istrian-Dalmatian marginal zones and the central zone of the external Dinarides. Also, evidence of regular facies changes during platform evolution. (2) Paleotectonic control of varying depositional environments. These range from extremely restricted (anoxic) conditions, to high-energy zones on the platform margins and the edges of intraplatform basins and lagoons. (3) A link between the structural style of the final platform carbonates and the underlying Permian-Triassic halokinetic deposits. This relationship occurred during the Apulia microplate collision and shearing. (4) Differential platform subsidence and burial of potential source rock during platform evolution. Also, post-platform flysch and Molasse sedimentation. (5) Rotational displacement of potential hydrocarbon reservoirs away from the conventional target of exploratory drilling. An acceptance of the above-mentioned elements, particularly the rotation concept, could contribute toward developing a more effective exploration strategy. This should involve seismostratigraphic and other refined exploration methods in many zones of the Neo-Tethys carbonate platform system characterized by similar rotational displacement.

  20. Probabilistic modeling of the corrosion of steel structures in marine water-development works

    SciTech Connect (OSTI)

    Bekker, A. T.; Lyubimov, V. S.; Kovalenko, R. G.; Aleksandrov, A. V.

    2011-09-15T23:59:59.000Z

    Considering that corrosion takes place as a random process over time, a a probabilistic approach was utilized in this paper. The corrosion of metallic sheet piling employed in the fascia wall of a bulwerk is considered as an example. A stochastic model is constructed on the base of a modified Weibull distribution function with consideration of parameters of the corrosion process as a function of time. One of the factors defining the corrosion rate of the sheet piling is the degree of access of a section of the wall to the zone of variable water level, or the underwater zone. The type of corrosion-continuous or local-is another factor. The accuracy of corrosion prediction in the underwater zone is higher than that in the zone of variable water level.

  1. Structure formation: a spherical model for the evolution of the density distribution

    E-Print Network [OSTI]

    P. Valageas

    1998-07-02T23:59:59.000Z

    Within the framework of hierarchical clustering we show that a simple Press-Schechter-like approximation, based on spherical dynamics, provides a good estimate of the evolution of the density field in the quasi-linear regime up to $\\Sigma \\sim 1$. Moreover, it allows one to recover the exact series of the cumulants of the probability distribution of the density contrast in the limit $\\Sigma \\to 0$ which sheds some light on the rigorous result and on ``filtering''. We also obtain similar results for the divergence of the velocity field. Next, we extend this prescription to the highly non-linear regime, using a stable-clustering approximation. Then we recover a specific scaling of the counts-in-cells which is indeed seen in numerical simulations, over a well-defined range. To this order we also introduce an explicit treatment of the behaviour of underdensities, which takes care of the normalization and is linked to the low-density bubbles and the walls one can see in numerical simulations. We compare this to a 1-dimensional adhesion model, and we present the consequences of our prescription for the power-law tail and the cutoff of the density distribution.

  2. The Hamiltonian Mean Field model: effect of network structure on synchronization dynamics

    E-Print Network [OSTI]

    Yogesh S. Virkar; Juan G. Restrepo; James D. Meiss

    2015-03-16T23:59:59.000Z

    The Hamiltonian Mean Field (HMF) model of coupled inertial, Hamiltonian rotors is a prototype for conservative dynamics in systems with long-range interactions. We consider the case where the interactions between the rotors are governed by a network described by a weighted adjacency matrix. By studying the linear stability of the incoherent state, we find that the transition to synchrony occurs at a coupling constant $K$ inversely proportional to the largest eigenvalue of the adjacency matrix. We derive a closed system of equations for a set of local order parameters and use these equations to study the effect of network heterogeneity on the synchronization of the rotors. We find that for values of $K$ just beyond the transition to synchronization the degree of synchronization is highly dependent on the network's heterogeneity, but that for large values of $K$ the degree of synchronization is robust to changes in the heterogeneity of the network's degree distribution. Our results are illustrated with numerical simulations on Erd\\"os-Renyi networks and networks with power-law degree distributions.

  3. From Structure to Dynamics: Modeling Exciton Dynamics in the Photosynthetic Antenna B. Bru1ggemann, K. Sznee, V. Novoderezhkin, R. van Grondelle, and V. May*,

    E-Print Network [OSTI]

    Röder, Beate

    complemented by various experiments focusing on the dynamics of excitation energy transfer and relaxation afterFrom Structure to Dynamics: Modeling Exciton Dynamics in the Photosynthetic Antenna PS1 B. Bru1 of Sciences and Institute of Molecular Biological Sciences, Vrije UniVersiteit, De Boelelaan 1081, 1081 HV

  4. Investment in Corn-Ethanol Plants in the Midwestern United States: An Analysis Using Reduced-Form and Structural Models1

    E-Print Network [OSTI]

    Lin, C.-Y. Cynthia

    1 Investment in Corn-Ethanol Plants in the Midwestern United States: An Analysis Using Reduced-Form and Structural Models1 C.-Y. Cynthia Lin and Karen E. Thome Abstract Ethanol has attracted considerable policy policy and strategic interactions affect decisions about when and where to invest in building new ethanol

  5. What Factors Affect the Decision to Invest in a Fuel Ethanol Plant? A Structural Model of the Ethanol Investment Timing Game1

    E-Print Network [OSTI]

    Lin, C.-Y. Cynthia

    1 What Factors Affect the Decision to Invest in a Fuel Ethanol Plant? A Structural Model of the Ethanol Investment Timing Game1 C.-Y. Cynthia Lin and Fujin Yi Abstract The decision to invest in building an ethanol plant that uses a particular feedstock is a dynamic decision that may be affected by economic

  6. Modeling the effect of soil structure on water flow and isoproturon dynamics in an agricultural field receiving repeated urban waste compost application

    E-Print Network [OSTI]

    Boyer, Edmond

    field receiving repeated urban waste compost application Vilim Filipovi1,2,3 , Yves Coquet2 , Valérie properties. Tillage practices and compost amendments can modify soil structure and create heterogeneity and compost application on transport processes. A modeling study was performed to evaluate how the presence

  7. Protein Structure Analysis Iosif Vaisman

    E-Print Network [OSTI]

    Vaisman, Iosif

    Biology Crystallography NMR Spectroscopy Protein Informatics Structural Bioinformatics Computational Structural Biology Protein Engineering Protein Design Drug Design Molecular Modeling Proteomics Structural Weissig (Eds) Structural bioinformatics Hoboken, N.J. : Wiley-Liss, 2003. Jenny Gu, Philip Bourne (Eds

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

    SciTech Connect (OSTI)

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

    2014-10-01T23:59:59.000Z

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

  9. Electronic structure of the SiN{sub x}/TiN interface: A model system for superhard nanocomposites

    SciTech Connect (OSTI)

    Patscheider, Joerg [EMPA, Laboratory for Nanoscale Materials Science, Ueberlandstrasse 129 CH-8600 Duebendorf (Switzerland); Department of Materials Science and Frederick Seitz Materials Research Laboratory University of Illinois, 104 S. Goodwin Avenue, Urbana, Illinois 61801 (United States); Hellgren, Niklas [Department of Materials Science and Frederick Seitz Materials Research Laboratory University of Illinois, 104 S. Goodwin Avenue, Urbana, Illinois 61801 (United States); Messiah College, Department of Mathematical Sciences, P.O. Box 3041, One College Ave., Grantham, Pennsylvania 17027 (United States); Haasch, Richard T.; Petrov, Ivan; Greene, J. E. [Department of Materials Science and Frederick Seitz Materials Research Laboratory University of Illinois, 104 S. Goodwin Avenue, Urbana, Illinois 61801 (United States)

    2011-03-15T23:59:59.000Z

    Nanostructured materials such as nanocomposites and nanolaminates--subjects of intense interest in modern materials research--are defined by internal interfaces, the nature of which is generally unknown. Nevertheless, the interfaces often determine the bulk properties. An example of this is superhard nanocomposites with hardness approaching that of diamond. TiN/Si{sub 3}N{sub 4} nanocomposites (TiN nanocrystals encapsulated in a fully percolated SiN{sub x} tissue phase) and nanolaminates, in particular, have attracted much attention as model systems for the synthesis of such superhard materials. Here, we use in situ angle-resolved x-ray photoelectron spectroscopy to probe the electronic structure of Si{sub 3}N{sub 4}/TiN(001), Si/TiN(001), and Ti/TiN(001) bilayer interfaces, in which 4-ML-thick overlayers are grown in an ultrahigh vacuum system by reactive magnetron sputter deposition onto epitaxial TiN layers on MgO(001). The thickness of the Si{sub 3}N{sub 4}, Si, and Ti overlayers is chosen to be thin enough to insure sufficient electron transparency to probe the interfaces, while being close to values reported in typical nanocomposites and nanolaminates. The results show that these overlayer/TiN(001) interfaces have distinctly different bonding characteristics. Si{sub 3}N{sub 4} exhibits interface polarization through the formation of an interlayer, in which the N concentration is enhanced at higher substrate bias values during Si{sub 3}N{sub 4} deposition. The increased number of Ti-N bonds at the interface, together with the resulting polarization, strengthens interfacial bonding. In contrast, overlayers of Si and, even more so, metallic Ti weaken the interface by minimizing the valence band energy difference between the two phases. A model is proposed that provides a semiquantitative explanation of the interfacial bond strength in nitrogen-saturated and nitrogen-deficient Ti-Si-N nanocomposites.

  10. Generating Structurally Complex Test Cases by Data Mutation: A Case Study of Testing an Automated Modelling Tool

    E-Print Network [OSTI]

    Zhu, Hong

    - 1 - Generating Structurally Complex Test Cases by Data Mutation: A Case Study of Testing Brookes University, Oxford OX33 1HX, UK Email: hzhu@brookes.ac.uk ABSTRACT Generation of adequate test cases is difficult and expensive, especially for testing software systems whose input is structurally

  11. Effect of Network Structure on Characterization and Flow Modeling Using X-ray Micro-Tomography Images of Granular and Fibrous Porous Media

    SciTech Connect (OSTI)

    Bhattad, Pradeep; Willson, Clinton S.; Thompson, Karsten E. (LSU)

    2012-07-31T23:59:59.000Z

    Image-based network modeling has become a powerful tool for modeling transport in real materials that have been imaged using X-ray computed micro-tomography (XCT) or other three-dimensional imaging techniques. Network generation is an essential part of image-based network modeling, but little quantitative work has been done to understand the influence of different network structures on modeling. We use XCT images of three different porous materials (disordered packings of spheres, sand, and cylinders) to create a series of four networks for each material. Despite originating from the same data, the networks can be made to vary over two orders of magnitude in pore density, which in turn affects network properties such as pore-size distribution and pore connectivity. Despite the orders-of-magnitude difference in pore density, single-phase permeability predictions remain remarkably consistent for a given material, even for the simplest throat conductance formulas. Detailed explanations for this beneficial attribute are given in the article; in general, it is a consequence of using physically representative network models. The capillary pressure curve generated from quasi-static drainage is more sensitive to network structure than permeability. However, using the capillary pressure curve to extract pore-size distributions gives reasonably consistent results even though the networks vary significantly. These results provide encouraging evidence that robust network modeling algorithms are not overly sensitive to the specific structure of the underlying physically representative network, which is important given the variety image-based network-generation strategies that have been developed in recent years.

  12. Electrical characterization and modeling of the Au/CaF{sub 2}/nSi(111) structures with high-quality tunnel-thin fluoride layer

    SciTech Connect (OSTI)

    Vexler, M. I. [Institut fuer Elektronische Bauelemente und Schaltungstechnik, TU Braunschweig, Hans-Sommer-Strasse 66, D-38106 Braunschweig (Germany); A. F. Ioffe Physical-Technical Institute of the Russian Academy of Sciences, 26 Polytechnicheskaya Str., 194021 St.-Petersburg (Russian Federation); Sokolov, N. S.; Suturin, S. M.; Banshchikov, A. G. [A. F. Ioffe Physical-Technical Institute of the Russian Academy of Sciences, 26 Polytechnicheskaya Str., 194021 St.-Petersburg (Russian Federation); Tyaginov, S. E. [A. F. Ioffe Physical-Technical Institute of the Russian Academy of Sciences, 26 Polytechnicheskaya Str., 194021 St.-Petersburg (Russian Federation); Christian-Dopper-Laboratory and Institut fuer Mikroelektronik, TU Wien, Gusshausstrasse 25-29, A-1040 Vienna (Austria); Grasser, T. [Christian-Dopper-Laboratory and Institut fuer Mikroelektronik, TU Wien, Gusshausstrasse 25-29, A-1040 Vienna (Austria)

    2009-04-15T23:59:59.000Z

    Au/CaF{sub 2}/nSi(111) structures with 4-5 monolayers of epitaxial fluoride are fabricated and electrically tested. The leakage current in these structures was substantially smaller than in similar samples reported previously. Simulations adopting a Franz-type dispersion relation with Franz mass of m{sub F}approx1.2m{sub 0} for carriers in the forbidden band of CaF{sub 2} reproduced the measured current-voltage curves quite satisfactorily. Roughly, these curves could also be reproduced using the parabolic dispersion law with the electron mass of m{sub e}=1.0m{sub 0}, which is a material constant rather than a fitting parameter. Experimental facts and their comparison to modeling results allow qualification of the crystalline quality of fabricated structures as sufficient for device applications.

  13. Individual heterogeneity in life history processes: Estimation and applications of demographic models to stage-structured arthropod populations

    E-Print Network [OSTI]

    Scranton, Katherine

    2012-01-01T23:59:59.000Z

    cois, 2008. Non-linear regression models for approximateparameters. They use non-linear regression of parameters on

  14. FastFEM: Breaking Wave Impact on Ships Wave breaking and wave impact on maritime structures are difficult to model

    E-Print Network [OSTI]

    Wirosoetisno, Djoko

    are difficult to model mathematically and numerically. The challenge is that nonlinear and breaking waves with fine-scale dynamic air-water interfaces need to be modelled efficiently, including their interactions measurements in wave basins. These potential flow models will be developed further at the University of Twente

  15. Advanced Modeling and Evaluation of the Response of Base-Isolated Nuclear Facility Structures to Vertical Earthquake Excitation

    E-Print Network [OSTI]

    Keldrauk, Eric Scott

    2012-01-01T23:59:59.000Z

    Structures . iii 3 Nuclear Power Plants 3.1 Nuclear FacilityKashiwazaki-Kariwa Nuclear Power Plant 3.3.1 2004 Ch¯ uetsuno seismically-isolated nuclear plant has been constructed

  16. Dissecting Lysozyme by Single- Molecule Techniques

    E-Print Network [OSTI]

    Collins, Philip G

    2013-01-01T23:59:59.000Z

    Experiments Determine Protein Folding Transition Path Times.P.G. Theory of protein folding: the energy landscapevarious aspects of protein folding have been examined via

  17. A preliminary investigation of the structure of southern Yucca Flat, Massachusetts Mountain, and CP basin, Nevada Test Site, Nevada, based on geophysical modeling.

    SciTech Connect (OSTI)

    Geoffrey A. Phelps; Leigh Justet; Barry C. Moring, and Carter W. Roberts

    2006-03-17T23:59:59.000Z

    New gravity and magnetic data collected in the vicinity of Massachusetts Mountain and CP basin (Nevada Test Site, NV) provides a more complex view of the structural relationships present in the vicinity of CP basin than previous geologic models, helps define the position and extent of structures in southern Yucca Flat and CP basin, and better constrains the configuration of the basement structure separating CP basin and Frenchman Flat. The density and gravity modeling indicates that CP basin is a shallow, oval-shaped basin which trends north-northeast and contains ~800 m of basin-filling rocks and sediment at its deepest point in the northeast. CP basin is separated from the deeper Frenchman Flat basin by a subsurface ridge that may represent a Tertiary erosion surface at the top of the Paleozoic strata. The magnetic modeling indicates that the Cane Spring fault appears to merge with faults in northwest Massachusetts Mountain, rather than cut through to Yucca Flat basin and that the basin is downed-dropped relative to Massachusetts Mountain. The magnetic modeling indicates volcanic units within Yucca Flat basin are down-dropped on the west and supports the interpretations of Phelps and KcKee (1999). The magnetic data indicate that the only faults that appear to be through-going from Yucca Flat into either Frenchman Flat or CP basin are the faults that bound the CP hogback. In general, the north-trending faults present along the length of Yucca Flat bend, merge, and disappear before reaching CP hogback and Massachusetts Mountain or French Peak.

  18. Fully Nonlinear Potential Flow Model of an Experimental Submerged Moored Structure Huan Lin, David Robinson, Solomon Yim*

    E-Print Network [OSTI]

    Yim, Solomon C.

    approximation of the nonlinear restoring, and hydrodynamic excitation of inertia and drag components. The waves. The structural system is approximated as a 2- D cylinder. A piston-type wavemaker is employed to generate surface of an alternative form of Morison hydrodynamic damping (independent- flow-field), a three-term polynomial

  19. Paper No. 2004-mfb-03 Kelly Page: 1 of 4 Tensile Loading of Model Caisson Foundations for Structures on Sand

    E-Print Network [OSTI]

    Byrne, Byron

    . In the particular case of offshore wind turbines, large moments are applied at foundation level by the action the ultimate capacity is large in both cases (and controlled by the cavitation of the pore fluid the coast of the UK. In the first instance many of the wind turbine structures will be founded on piles

  20. 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

  1. Multi-physics modeling of the fabrication and dynamic performance of all-metal auxetic-hexagonal sandwich-structures

    E-Print Network [OSTI]

    Grujicic, Mica

    -structures subjected to blast loading. The results obtained clearly showed that the effect of prior processing must to investigate the effect of the prior processing and the resulting microstructure on the performance of all when subjected to blast loading. Ó 2013 Elsevier Ltd. All rights reserved. 1. Introduction Within

  2. Used Nuclear Fuel Loading and Structural Performance Under Normal Conditions of Transport - Modeling, Simulation and Experimental Integration RD&D Plan

    SciTech Connect (OSTI)

    Adkins, Harold E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2013-04-01T23:59:59.000Z

    Under current U.S. Nuclear Regulatory Commission regulation, it is not sufficient for used nuclear fuel (UNF) to simply maintain its integrity during the storage period, it must maintain its integrity in such a way that it can withstand the physical forces of handling and transportation associated with restaging the fuel and moving it to treatment or recycling facilities, or a geologic repository. Hence it is necessary to understand the performance characteristics of aged UNF cladding and ancillary components under loadings stemming from transport initiatives. Researchers would like to demonstrate that enough information, including experimental support and modeling and simulation capabilities, exists to establish a preliminary determination of UNF structural performance under normal conditions of transport (NCT). This research, development and demonstration (RD&D) plan describes a methodology, including development and use of analytical models, to evaluate loading and associated mechanical responses of UNF rods and key structural components. This methodology will be used to provide a preliminary assessment of the performance characteristics of UNF cladding and ancillary components under rail-related NCT loading. The methodology couples modeling and simulation and experimental efforts currently under way within the Used Fuel Disposition Campaign (UFDC). The methodology will involve limited uncertainty quantification in the form of sensitivity evaluations focused around available fuel and ancillary fuel structure properties exclusively. The work includes collecting information via literature review, soliciting input/guidance from subject matter experts, performing computational analyses, planning experimental measurement and possible execution (depending on timing), and preparing a variety of supporting documents that will feed into and provide the basis for future initiatives. The methodology demonstration will focus on structural performance evaluation of Westinghouse WE 17×17 pressurized water reactor fuel assemblies with a discharge burnup range of 30-58 GWd/MTU (assembly average), loaded in a representative high-capacity (?32 fuel rod assemblies) transportation package. Evaluations will be performed for representative normal conditions of rail transport involving a rail conveyance capable of meeting the Association of American Railroads (AAR) S-2043 specification. UNF modeling is anticipated to be defined to the pellet-cladding level and take in to account influences associated with spacer grids, intermediate fluid mixers, and control components. The influence of common degradation issues such as ductile-to-brittle-transition will also be accounted for. All model development and analysis will be performed with commercially available software packages exclusively. Inputs and analyses will be completely documented, all supporting information will be traceable, and bases will be defendable so as to be most useful to the U.S. Department of Energy community and mission. The expected completion date is the end of fiscal year (FY) 2013.

  3. Structure and modeling of the network of two-Chinese-character compound words in the Japanese language

    E-Print Network [OSTI]

    Yamamoto, Ken

    2014-01-01T23:59:59.000Z

    This paper proposes a numerical model of the network of two-Chinese-character compound words (two-character network, for short). In this network, a Chinese character is a node and a two-Chinese-character compound word links two nodes. The basic framework of the model is that an important character gets many edges. As the importance of a character, we use the frequency of each character appearing in publications. The direction of edge is given according to a random number assigned to nodes. The network generated by the model is small-world and scale-free, and reproduces statistical properties in the actual two-character network quantitatively.

  4. Development of a Kelp-type Structure Module in a Coastal Ocean Model to Assess the Hydrodynamic Impact of Seawater Uranium Extraction Technology

    SciTech Connect (OSTI)

    Wang, Taiping; Khangaonkar, Tarang; Long, Wen; Gill, Gary A.

    2014-02-07T23:59:59.000Z

    In recent years, with the rapid growth of global energy demand, the interest in extracting uranium from seawater for nuclear energy has been renewed. While extracting seawater uranium is not yet commercially viable, it serves as a “backstop” to the conventional uranium resources and provides an essentially unlimited supply of uranium resource. With recent advances in seawater uranium extraction technology, extracting uranium from seawater could be economically feasible when the extraction devices are deployed at a large scale (e.g., several hundred km2). There is concern however that the large scale deployment of adsorbent farms could result in potential impacts to the hydrodynamic flow field in an oceanic setting. In this study, a kelp-type structure module was incorporated into a coastal ocean model to simulate the blockage effect of uranium extraction devices on the flow field. The module was quantitatively validated against laboratory flume experiments for both velocity and turbulence profiles. The model-data comparison showed an overall good agreement and validated the approach of applying the model to assess the potential hydrodynamic impact of uranium extraction devices or other underwater structures in coastal oceans.

  5. A New, Stochastic, Energy Model of the U.S. is Under Construction: SEDS and Its Industrial Structure

    E-Print Network [OSTI]

    Roop, J. M.

    -duty vehicles and heavy-duty vehicles. The industrial sector is currently modeled as a single sector, using the latest Manufacturing Energy Consumption Survey (MECS) to calibrate energy consumption to end-use energy categories: boilers, process heating...

  6. Federal and State Structures to Support Financing Utility-Scale Solar Projects and the Business Models Designed to Utilize Them

    SciTech Connect (OSTI)

    Mendelsohn, M.; Kreycik, C.

    2012-04-01T23:59:59.000Z

    Utility-scale solar projects have grown rapidly in number and size over the last few years, driven in part by strong renewable portfolio standards (RPS) and federal incentives designed to stimulate investment in renewable energy technologies. This report provides an overview of such policies, as well as the project financial structures they enable, based on industry literature, publicly available data, and questionnaires conducted by the National Renewable Energy Laboratory (NREL).

  7. A multi-scale approach to statistical and model-based structural health monitoring with application to embedded sensing for wind energy

    E-Print Network [OSTI]

    Taylor, Stuart Glynn

    2013-01-01T23:59:59.000Z

    rotor blade," Structural Health Monitoring, accepted 12-Novdeployed for structural health monitoring applications,"J. -R. Lee, "Structural health monitoring of research-scale

  8. EMC effect with different oscillator-model parameters $h?$ for different shells by considering difference between proton and neutron structure functions

    E-Print Network [OSTI]

    F. Zolfagharpour

    2008-03-10T23:59:59.000Z

    The magnitude of binding energy used in the conventional nuclear theory to explain the EMC experimental data, seems to be larger than the one expected. In this paper to get sufficient depletion in the binding energy, different oscillator-model parameters $ \\textit{$h\\omega$} $ for different shells and the proton (neutron) structure function that have good agrement with experimental data are used. The extracted results for $^4He, ^{12}C, ^{40}Ca$ and $^{56}Fe$ nuclei show that one can get improved results in medium x ranges by less binding energy.

  9. Structure, Vol. 13, 12791288, September, 2005, 2005 Elsevier Ltd All rights reserved. DOI 10.1016/j.str.2005.06.010 A Twisted Four-Sheeted Model for an Amyloid Fibril

    E-Print Network [OSTI]

    Regan, Lynne

    data, for the basic structure of an amyloid fibril formed by using the vari- ants of the B1 domain be induced to form fibers in vitro have very different sequences and three-dimensional structures.1016/j.str.2005.06.010 A Twisted Four-Sheeted Model for an Amyloid Fibril Jimin Wang,1, * Susanne Gülich

  10. MODELING MAGNETIC FIELD STRUCTURE OF A SOLAR ACTIVE REGION CORONA USING NONLINEAR FORCE-FREE FIELDS IN SPHERICAL GEOMETRY

    SciTech Connect (OSTI)

    Guo, Y.; Ding, M. D. [School of Astronomy and Space Science, Nanjing University, Nanjing 210093 (China); Liu, Y.; Sun, X. D. [W. W. Hansen Experimental Physics Laboratory, Stanford University, Stanford, CA 94305 (United States); DeRosa, M. L. [Lockheed Martin Advanced Technology Center, 3251 Hanover Street, Palo Alto, CA 94304 (United States); Wiegelmann, T., E-mail: guoyang@nju.edu.cn [Max-Planck-Institut fuer Sonnensystemforschung, Max-Planck-Strasse 2, D-37191 Katlenburg-Lindau (Germany)

    2012-11-20T23:59:59.000Z

    We test a nonlinear force-free field (NLFFF) optimization code in spherical geometry using an analytical solution from Low and Lou. Several tests are run, ranging from idealized cases where exact vector field data are provided on all boundaries, to cases where noisy vector data are provided on only the lower boundary (approximating the solar problem). Analytical tests also show that the NLFFF code in the spherical geometry performs better than that in the Cartesian one when the field of view of the bottom boundary is large, say, 20 Degree-Sign Multiplication-Sign 20 Degree-Sign . Additionally, we apply the NLFFF model to an active region observed by the Helioseismic and Magnetic Imager on board the Solar Dynamics Observatory (SDO) both before and after an M8.7 flare. For each observation time, we initialize the models using potential field source surface (PFSS) extrapolations based on either a synoptic chart or a flux-dispersal model, and compare the resulting NLFFF models. The results show that NLFFF extrapolations using the flux-dispersal model as the boundary condition have slightly lower, therefore better, force-free, and divergence-free metrics, and contain larger free magnetic energy. By comparing the extrapolated magnetic field lines with the extreme ultraviolet (EUV) observations by the Atmospheric Imaging Assembly on board SDO, we find that the NLFFF performs better than the PFSS not only for the core field of the flare productive region, but also for large EUV loops higher than 50 Mm.

  11. Direct-contact condensers for open-cycle OTEC applications: Model validation with fresh water experiments for structured packings

    SciTech Connect (OSTI)

    Bharathan, D.; Parsons, B.K.; Althof, J.A.

    1988-10-01T23:59:59.000Z

    The objective of the reported work was to develop analytical methods for evaluating the design and performance of advanced high-performance heat exchangers for use in open-cycle thermal energy conversion (OC-OTEC) systems. This report describes the progress made on validating a one-dimensional, steady-state analytical computer of fresh water experiments. The condenser model represents the state of the art in direct-contact heat exchange for condensation for OC-OTEC applications. This is expected to provide a basis for optimizing OC-OTEC plant configurations. Using the model, we examined two condenser geometries, a cocurrent and a countercurrent configuration. This report provides detailed validation results for important condenser parameters for cocurrent and countercurrent flows. Based on the comparisons and uncertainty overlap between the experimental data and predictions, the model is shown to predict critical condenser performance parameters with an uncertainty acceptable for general engineering design and performance evaluations. 33 refs., 69 figs., 38 tabs.

  12. Modeling Long-term Creep Performance for Welded Nickel-base Superalloy Structures for Power Generation Systems

    SciTech Connect (OSTI)

    Shen, Chen

    2015-01-01T23:59:59.000Z

    We report here a constitutive model for predicting long-term creep strain evolution in ?’ strengthened Ni-base superalloys. Dislocation climb-bypassing ?’, typical in intermediate ?’ volume fraction (~20%) alloys, is considered as the primary deformation mechanism. Dislocation shearing ?’ to anti-phase boundary (APB) faults and diffusional creep are also considered for high-stress and high-temperature low-stress conditions, respectively. Additional damage mechanism is taken into account for rapid increase in tertiary creep strain. The model has been applied to Alloy 282, and calibrated in a temperature range of 1375-1450?F, and stress range of 15-45ksi. The model parameters and a MATLAB code are provided. This report is prepared by Monica Soare and Chen Shen at GE Global Research. Technical discussions with Dr. Vito Cedro are greatly appreciated. This work was supported by DOE program DE-FE0005859

  13. Local error estimates dramatically improve the utility of homology models for solving crystal structures by molecular replacement

    E-Print Network [OSTI]

    Bunkóczi, Gábor; Wallner, Björn; Read, Randy J.

    2015-01-22T23:59:59.000Z

    calculated with MUSCLE (Edgar, 2004). ts, homology models were created using ini et al., 2014), based on the template ed as MR models. This step was required iction, since the actual sequence has to be cture and side chains have to be present. selected... , 2014 Published: January 22, 2015 REFERENCES Adams, P.D., Afonine, P.V., Bunko´czi, G., Chen, V.B., Davis, I.W., Echols, N., Headd, J.J., Hung, L.W., Kapral, G.J., Grosse-Kunstleve, R.W., et al. (2010).Nature 473, 540–543. Edgar, R.C. (2004). MUSCLE...

  14. A Model Of Pedestal Structure J.D. Callen, University of Wisconsin, Madison, WI 53706-1609

    E-Print Network [OSTI]

    Princeton Plasma Physics Laboratory

    -limited, quasi-equilibrium pedestal structure be predicted? 00.0 52.1 05.2 57.3 00.5 0.0 2.0 4.0 6.0 8.0 0.0 1.0 2.0 3.0 4.0 0.0 3.0 6.0 9.0 2.1 0004 0024 0044 0064 0084 0005 0 1 2 3 4 ne - WMHD D T n e e ped ped · Discussion: sources of error -- in key data and paleoclassical theory pedestal profile evolution into ELMs

  15. N=(0, 2) Deformation of (2, 2) Sigma Models: Geometric Structure, Holomorphic Anomaly and Exact Beta Functions

    E-Print Network [OSTI]

    Jin Chen; Xiaoyi Cui; Mikhail Shifman; Arkady Vainshtein

    2014-07-27T23:59:59.000Z

    We study N=(0,2) deformed (2,2) two-dimensional sigma models. Such heterotic models were discovered previously on the world sheet of non-Abelian strings supported by certain four-dimensional N=1 theories. We study geometric aspects and holomorphic properties of these models, and derive a number of exact expressions for the beta functions in terms of the anomalous dimensions analogous to the NSVZ beta function in four-dimensional Yang-Mills. Instanton calculus provides a straightforward method for the derivation. The anomalous dimensions are calculated up to two loops implying that one of the beta functions is explicitly known up to three loops. The fixed point in the ratio of the couplings found previously at one loop is not shifted at two loops. We also consider the N=(0,2) supercurrent supermultiplet (the so-called hypercurrent) and its anomalies, as well as the "Konishi anomaly." This gives us another method for finding exact $\\beta$ functions. We prove that despite the chiral nature of the models under consideration quantum loops preserve isometries of the target space.

  16. Achieving Structural and Composable Modeling of Complex Systems David I. August Sharad Malik Li-Shiuan Peh

    E-Print Network [OSTI]

    employed to- day is hand-writing monolithic simulators in sequential pro- gramming languages such as C or C of failure. ¯ Rapid Reuse. Monolithic simulator tools tend to be "one-off" items often rewritten from scratch for each project. Models of the same single component may be written many times to fit each simulation

  17. A high-entropy wind r-process study based on nuclear-structure quantities from the new finite-range droplet model FRDM(2012)

    E-Print Network [OSTI]

    Karl-Ludwig Kratz; Khalil Farouqi; Peter Möller

    2014-06-10T23:59:59.000Z

    Theoretical studies of the nucleosynthesis origin of the heavy elements in our Solar System (S.S.) by the rapid neutron-capture process (r-process) still face the entwined uncertainties in the possible astrophysical scenarios and the nuclear-physics properties far from stability. In this paper we present results from the investigation of an r-process in the high-entropy wind (HEW) of core-collapse supernovae (here chosen as one of the possible scenarios for this nucleosynthesis process), using new nuclear-data input calculated in a consistent approach, for masses and $\\beta$-decay properties from the new finite-range droplet model FRDM(2012). The accuracy of the new mass model is 0.56 MeV with respect to {\\sc AME2003}, to which it was adjusted. We compare the new HEW r-process abundance pattern to the latest S.S. r-process residuals and to our earlier calculations with the nuclear-structure quantities based on FRDM(1992). Substantial overall and specific local improvements in the calculated pattern of the r-process between $A\\simeq 110$ and $^{209}$Bi, as well as remaining deficiencies are discussed in terms of the underlying spherical and deformed shell structure far from stability.

  18. Modeling Quality Information within Business Process Models

    E-Print Network [OSTI]

    Paech, Barbara

    Modeling Quality Information within Business Process Models Robert Heinrich, Alexander Kappe. Business process models are a useful means to document information about structure and behavior literature and tool survey on modeling quality information within business process models. Keywords: Business

  19. Vacuum models with a linear and a quadratic term in H: structure formation and number counts analysis

    E-Print Network [OSTI]

    Adria Gomez-Valent; Joan Sola

    2015-01-29T23:59:59.000Z

    We focus on the class of cosmological models with a time-evolving vacuum energy density of the form $\\rho_\\Lambda=C_0+C_1 H+C_2 H^2$, where $H$ is the Hubble rate. Higher powers of $H$ could be important for the early inflationary epoch, but are irrelevant afterwards. We study these models at the background level and at the perturbations level, both at the linear and at the nonlinear regime. We find that those with $C_0=0$ are seriously hampered, as they are unable to fit simultaneously the current observational data on Hubble expansion and the linear growth rate of clustering. This is in contrast to the $C_0\

  20. Scales in the fine structure of the magnetic dipole resonance: A wavelet approach to the shell model

    SciTech Connect (OSTI)

    Petermann, I.; Langanke, K. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, D-64289 Darmstadt (Germany); GSI Helmholtzzentrum fuer Schwerionenforschung, D-64291 Darmstadt (Germany); Martinez-Pinedo, G. [GSI Helmholtzzentrum fuer Schwerionenforschung, D-64291 Darmstadt (Germany); Neumann-Cosel, P. von [Institut fuer Kernphysik, Technische Universitaet Darmstadt, D-64289 Darmstadt (Germany); Nowacki, F. [Institute Pluridisciplinaire Hubert Curien, F-67037 Strasbourg (France); Richter, A. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, D-64289 Darmstadt (Germany); ECT, Villa Tambosi, I-38050 Villazano, Trento (Italy)

    2010-01-15T23:59:59.000Z

    Wavelet analysis is applied as a tool for the examination of magnetic dipole (M1) strength distributions in pf-shell nuclei by the extraction of wavelet scales. Results from the analysis of theoretical M1 strength distributions calculated with the KB3G interaction are compared to experimental data from (e,e{sup '}) experiments and good agreement of the deduced wavelet scales is observed. This provides further insight into the nature of the scales from the model results. The influence of the number of Lanczos iterations on the development and stability of scales and the role of the model space in terms of the truncation level are studied. Moreover, differences in the scales of spin and orbital parts of the M1 strength are investigated, as is the use of different effective interactions (KB3G, GXPF1, and FPD6).

  1. Characterization of the molecular structure and mechanical properties of polymer surfaces and protein/polymer interfaces by sum frequency generation vibrational spectroscopy and atomic force microscopy

    SciTech Connect (OSTI)

    Koffas, Telly Stelianos

    2004-05-15T23:59:59.000Z

    Sum frequency generation (SFG) vibrational spectroscopy, atomic force microscopy (AFM), and other complementary surface-sensitive techniques have been used to study the surface molecular structure and surface mechanical behavior of biologically-relevant polymer systems. SFG and AFM have emerged as powerful analytical tools to deduce structure/property relationships, in situ, for polymers at air, liquid and solid interfaces. The experiments described in this dissertation have been performed to understand how polymer surface properties are linked to polymer bulk composition, substrate hydrophobicity, changes in the ambient environment (e.g., humidity and temperature), or the adsorption of macromolecules. The correlation of spectroscopic and mechanical data by SFG and AFM can become a powerful methodology to study and engineer materials with tailored surface properties. The overarching theme of this research is the interrogation of systems of increasing structural complexity, which allows us to extend conclusions made on simpler model systems. We begin by systematically describing the surface molecular composition and mechanical properties of polymers, copolymers, and blends having simple linear architectures. Subsequent chapters focus on networked hydrogel materials used as soft contact lenses and the adsorption of protein and surfactant at the polymer/liquid interface. The power of SFG is immediately demonstrated in experiments which identify the chemical parameters that influence the molecular composition and ordering of a polymer chain's side groups at the polymer/air and polymer/liquid interfaces. In general, side groups with increasingly greater hydrophobic character will be more surface active in air. Larger side groups impose steric restrictions, thus they will tend to be more randomly ordered than smaller hydrophobic groups. If exposed to a hydrophilic environment, such as water, the polymer chain will attempt to orient more of its hydrophilic groups to the surface in order to minimize the total surface energy. With an understanding of the structural and environmental parameters which govern polymer surface structure, SFG is then used to explore the effects of surface hydrophobicity and solvent polarity on the orientation and ordering of amphiphilic neutral polymers adsorbed at the solid/liquid interface. SFG spectra show that poly(propylene glycol) (PPG) and poly(ethylene glycol) (PEG) adsorb with their hydrophobic moieties preferentially oriented toward hydrophobic polystyrene surfaces. These same moieties, however, disorder when adsorbed onto a hydrophilic silica/water interface. Water is identified as a critical factor for mediating the orientation and ordering of hydrophobic moieties in polymers adsorbed at hydrophobic interfaces. The role of bulk water content and water vapor, as they influence hydrogel surface structure and mechanics, continues to be explored in the next series of experiments. A method was developed to probe the surface viscoelastic properties of hydroxylethyl methacrylate (HEMA) based contact lens materials by analyzing AFM force-distance curves. AFM analysis indicates that the interfacial region is dehydrated, relative to the bulk. Experiments performed on poly(HEMA+MA) (MA = methacrylic acid), a more hydrophilic copolymer with greater bulk water content, show even greater water depletion at the surface. SFG spectra, as well as surface energy arguments, suggest that the more hydrophilic polymer component (such as MA) is not favored at the air interface; this may explain anomalies in water retention at the hydrogel surface. Adsorption of lysozyme onto poly(HEMA+MA) was found to further reduce near-surface viscous behavior, suggesting lower surface water content. Lastly, protein adsorption is studied using a model polymer system of polystyrene covalently bound with a monolayer of bovine serum albumin. SFG results indicate that some amino acid residues in proteins adopt preferred orientations. SFG spectra also show that the phenyl rings of the bare polystyrene substrate in contact with air or

  2. Academic Oral English Development Among Spanish-speaking English Language Learners: Comparing Transitional Bilingual and Structured English Immersion Models

    E-Print Network [OSTI]

    Tong, Fuhui; Lara-Alecio, Rafael; Irby, Beverly; Mathes, Patricia; Kwok, Oi-man

    2010-10-22T23:59:59.000Z

    D1 1 D2 1 Time 2 PV 2 LC2 D3 D4 1 1 Time 3 LC3PV3 D6D5 11 Measurement Model Hypothetic Model Fit Indices RMSEA = .00 CFI = 1.00 SRMR = .03 545. 078.3)88,4(2 = == p N? I S Time1 Time2 Time 1 1 1 0 1 2 D1 1 D2 1 D3 1... Hypothetic Model final Time 1 PV1 LC1 D1 1 D2 1 Time 2 PV 2 LC2 D3 D4 1 1 Time 3 LC3PV3 D6D5 11 I S 1.0 1.0 1.0 0.0 1.0 2.0 Program p-value CFI RMSEA SRMR SEI-E 1.562 0.211 0.989 0.079 0.000 SEI-T 2.108 0.349 0.999 0.028 0.055 TBE-E 2.95 0...

  3. Structuring Structural Operational

    E-Print Network [OSTI]

    Mousavi, Mohammad

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

  4. Structuring Structural Operational

    E-Print Network [OSTI]

    Reniers, Michel

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

  5. Growth of sheets in 3D confinements - a model for the C-S-H meso 2 structure

    E-Print Network [OSTI]

    Etzold, Merlin A.; McDonald, Peter J.; Routh, Alexander F.

    2014-06-21T23:59:59.000Z

    - and dicalcium silicate surfaces on particle aggre-41 gation [8]. Particle based models have also been used by the group of Ulm to successfully interpret nano42 indentation results [9]. Small-angle neutron scattering data of cement paste has been interpreted... -vectors, both curves show a q?4 dependence which corresponds to203 the experimental Porod regime. The simulated data is compared to experimental small-angle neutron204 scattering data for cement from Allen et al. (dashed) [30]. For large and intermediate...

  6. Effect of hydrogel particle additives on water-accessible pore structure of sandy soils: A custom pressure plate apparatus and capillary bundle model

    E-Print Network [OSTI]

    Y. Wei; D. J. Durian

    2013-04-30T23:59:59.000Z

    To probe the effects of hydrogel particle additives on the water-accessible pore structure of sandy soils, we introduce a custom pressure plate method in which the volume of water expelled from a wet granular packing is measured as a function of applied pressure. Using a capillary bundle model, we show that the differential change in retained water per pressure increment is directly related to the cumulative cross-sectional area distribution $f(r)$ of the water-accessible pores with radii less than $r$. This is validated by measurements of water expelled from a model sandy soil composed of 2 mm diameter glass beads. In particular, the expelled water is found to depend dramatically on sample height and that analysis using the capillary bundle model gives the same pore size distribution for all samples. The distribution is found to be approximately log-normal, and the total cross-sectional area fraction of the accessible pore space is found to be $f_0=0.34$. We then report on how the pore distribution and total water-accessible area fraction are affected by superabsorbent hydrogel particle additives, uniformly mixed into a fixed-height sample at varying concentrations. Under both fixed volume and free swelling conditions, the total area fraction of water-accessible pore space in a packing decreases exponentially as the gel concentration increases. The size distribution of the pores is significantly modified by the swollen hydrogel particles, such that large pores are clogged while small pores are formed.

  7. Ion and water transport in a Nafion{reg_sign} membrane pore: A statistical mechanical model with molecular structure

    SciTech Connect (OSTI)

    Paddison, S.J.; Zawodzinski, T.A. Jr. [Los Alamos National Lab., NM (United States). Electronic and Electrochemical Materials and Devices Group; Paul, R. [Univ. of Calgary, Alberta (Canada). Dept. of Chemistry

    1998-12-31T23:59:59.000Z

    With the well established importance of the coupling of water and protons through electroosmotic drag in operating PEFCs the authors present here a derivation of a mathematical model that focuses on the computation of the mobility of an hydronium ion through an arbitrary cylindrical pore of a PEM with a non-uniform charge distribution on the walls of the pore. The total Hamiltonian is derived for the hydronium ion as it moves through the hydrated pore and is effected by the net potential due to interaction with the solvent molecules and the pendant side chains. The corresponding probability density is derived through solution of the Liouville equation. This probability density is then used to compute the friction tensor for the hydronium ion. The authors find two types of contributions: (a) due to the solvent-ion interactions for which they adopt the conventional continuum model; (b) due to the interaction between the pendant charges and the hydronium ion. The latter is a new result and displays the role of the non-uniform nature of the charge distribution on the pore wall.

  8. Algebraic and group structure for bipartite three dimensional anisotropic Ising model on a non-local basis

    E-Print Network [OSTI]

    Francisco Delgado

    2014-10-28T23:59:59.000Z

    Entanglement is considered as a basic physical resource for modern quantum applications in Quantum Information and Quantum Computation theories. Interactions able to generate and sustain entanglement are subject to deep research in order to have understanding and control on it, based on specific physical systems. Atoms, ions or quantum dots are considered a key piece in quantum applications because is a basic piece of developments towards a scalable spin-based quantum computer through universal and basic quantum operations. Ising model is a type of interaction which generates and modi?es entanglement properties of quantum systems based on matter. In this work, a general anisotropic three dimensional Ising model including an inhomogeneous magnetic field is analyzed to obtain their evolution and then, their algebraic properties which are controlled through a set of physical parameters. Evolution denote remarkable group properties when is analyzed in a non local basis, in particular those related with entanglement. These properties give a fruitful arena for further quantum applications and their control.

  9. Local structure of Rb{sub 2}Li{sub 4}(SeO{sub 4}){sub 3}{center_dot}2H{sub 2}O by the modeling of X-ray diffuse scattering - from average-structure to microdomain model

    SciTech Connect (OSTI)

    Komornicka, Dorota [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okolna 2, 50-420 Wroclaw (Poland); Wolcyrz, Marek, E-mail: m.wolcyrz@int.pan.wroc.pl [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okolna 2, 50-420 Wroclaw (Poland); Pietraszko, Adam [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okolna 2, 50-420 Wroclaw (Poland)

    2012-08-15T23:59:59.000Z

    Local structure of dirubidium tetralithium tris(selenate(VI)) dihydrate - Rb{sub 2}Li{sub 4}(SeO{sub 4}){sub 3}{center_dot} 2H{sub 2}O has been determined basing on the modeling of X-ray diffuse scattering. The origin of observed structured diffuse streaks is SeO{sub 4} tetrahedra switching between two alternative positions in two quasi-planar layers existing in each unit cell and formation of domains with specific SeO{sub 4} tetrahedra configuration locally fulfilling condition for C-centering in the 2a Multiplication-Sign 2b Multiplication-Sign c superstructure cell. The local structure solution is characterized by a uniform distribution of rather large domains (ca. thousand of unit cells) in two layers, but also monodomains can be taken into account. Inside a single domain SeO{sub 4} tetrahedra are ordered along ab-diagonal forming two-string ribbons. Inside the ribbons SeO{sub 4} and LiO{sub 4} tetrahedra share the oxygen corners, whereas ribbons are bound to each other by a net of hydrogen bonds and fastened by corner sharing SeO{sub 4} tetrahedra of the neighboring layers. - Graphical abstract: Experimental sections of the reciprocal space showing diffraction effects observed for RLSO. Bragg spots are visible on sections with integer indices (1 kl section - on the left), streaks - on sections with fractional ones (1.5 kl section - on the right). At the center: resulting local structure of the A package modeled as a microdomain: two-string ribbons of ordered oxygen-corners-sharing SeO{sub 4} and LiO{sub 4} terahedra extended along ab-diagonal are seen; ribbons are bound by hydrogen bonds (shown in pink); the multiplied 2a Multiplication-Sign 2b unit cell is shown. Highlights: Black-Right-Pointing-Pointer X-ray diffuse scattering in RLSO was registered and modeled. Black-Right-Pointing-Pointer The origin of diffuse streaks is SeO{sub 4} tetrahedra switching in two structure layers. Black-Right-Pointing-Pointer The local structure is characterized by a uniform distribution of microdomains. Black-Right-Pointing-Pointer Inside a single domain SeO{sub 4} tetrahedra are ordered along ab-diagonal forming ribbons. Black-Right-Pointing-Pointer The ribbons are bound to each other by a net of hydrogen bonds.

  10. Structural health and prognostics management for offshore wind turbines : case studies of rotor fault and blade damage with initial O&M cost modeling.

    SciTech Connect (OSTI)

    Myrent, Noah J. [Purdue Center for Systems Integrity, Lafayette, IN; Kusnick, Joshua F. [Purdue Center for Systems Integrity, Lafayette, IN; Barrett, Natalie C. [Purdue Center for Systems Integrity, Lafayette, IN; Adams, Douglas E. [Purdue Center for Systems Integrity, Lafayette, IN; Griffith, Daniel Todd

    2013-04-01T23:59:59.000Z

    Operations and maintenance costs for offshore wind plants are significantly higher than the current costs for land-based (onshore) wind plants. One way to reduce these costs would be to implement a structural health and prognostic management (SHPM) system as part of a condition based maintenance paradigm with smart load management and utilize a state-based cost model to assess the economics associated with use of the SHPM system. To facilitate the development of such a system a multi-scale modeling approach developed in prior work is used to identify how the underlying physics of the system are affected by the presence of damage and faults, and how these changes manifest themselves in the operational response of a full turbine. This methodology was used to investigate two case studies: (1) the effects of rotor imbalance due to pitch error (aerodynamic imbalance) and mass imbalance and (2) disbond of the shear web; both on a 5-MW offshore wind turbine in the present report. Based on simulations of damage in the turbine model, the operational measurements that demonstrated the highest sensitivity to the damage/faults were the blade tip accelerations and local pitching moments for both imbalance and shear web disbond. The initial cost model provided a great deal of insight into the estimated savings in operations and maintenance costs due to the implementation of an effective SHPM system. The integration of the health monitoring information and O&M cost versus damage/fault severity information provides the initial steps to identify processes to reduce operations and maintenance costs for an offshore wind farm while increasing turbine availability, revenue, and overall profit.

  11. $\\mathbb{P}^1$-bundle bases and the prevalence of non-Higgsable structure in 4D F-theory models

    E-Print Network [OSTI]

    James Halverson; Washington Taylor

    2015-07-03T23:59:59.000Z

    We explore a large class of F-theory compactifications to four dimensions. We find evidence that gauge groups that cannot be Higgsed without breaking supersymmetry, often accompanied by associated matter fields, are a ubiquitous feature in the landscape of ${\\cal N} = 1$ 4D F-theory constructions. In particular, we study 4D F-theory models that arise from compactification on threefold bases that are $\\mathbb{P}^1$ bundles over certain toric surfaces. These bases are one natural analogue to the minimal models for base surfaces for 6D F-theory compactifications. Of the roughly 100,000 bases that we study, only 80 are weak Fano bases in which there are no automatic singularities on the associated elliptic Calabi-Yau fourfolds, and 98.3% of the bases have geometrically non-Higgsable gauge factors. The $\\mathbb{P}^1$-bundle threefold bases we analyze contain a wide range of distinct surface topologies that support geometrically non-Higgsable clusters. Many of the bases that we consider contain $SU(3)\\times SU(2)$ seven-brane clusters for generic values of deformation moduli; we analyze the relative frequency of this combination relative to the other four possible two-factor non-Higgsable product groups, as well as various other features such as geometrically non-Higgsable candidates for dark matter structure and phenomenological ($SU(2)$-charged) Higgs fields.

  12. $\\mathbb{P}^1$-bundle bases and the prevalence of non-Higgsable structure in 4D F-theory models

    E-Print Network [OSTI]

    James Halverson; Washington Taylor

    2015-06-10T23:59:59.000Z

    We explore a large class of F-theory compactifications to four dimensions. We find evidence that gauge groups that cannot be Higgsed without breaking supersymmetry, often accompanied by associated matter fields, are a ubiquitous feature in the landscape of ${\\cal N} = 1$ 4D F-theory constructions. In particular, we study 4D F-theory models that arise from compactification on threefold bases that are $\\mathbb{P}^1$ bundles over certain toric surfaces. These bases are one natural analogue to the minimal models for base surfaces for 6D F-theory compactifications. Of the roughly 100,000 bases that we study, only 80 are weak Fano bases in which there are no automatic singularities on the associated elliptic Calabi-Yau fourfolds, and 98.3% of the bases have geometrically non-Higgsable gauge factors. The $\\mathbb{P}^1$-bundle threefold bases we analyze contain a wide range of distinct surface topologies that support geometrically non-Higgsable clusters. Many of the bases that we consider contain $SU(3)\\times SU(2)$ seven-brane clusters for generic values of deformation moduli; we analyze the relative frequency of this combination relative to the other four possible two-factor non-Higgsable product groups, as well as various other features such as geometrically non-Higgsable candidates for dark matter structure and phenomenological ($SU(2)$-charged) Higgs fields.

  13. Elastic consequences of a single plastic event: towards a realistic account of structural disorder and shear wave propagation in models of flowing amorphous solids

    E-Print Network [OSTI]

    Alexandre Nicolas; Francesco Puosi; Hideyuki Mizuno; Jean-Louis Barrat

    2015-03-05T23:59:59.000Z

    Shear transformations (i.e., localised rearrangements of particles resulting in the shear deformation of a small region of the sample) are the building blocks of mesoscale models for the flow of disordered solids. In order to compute the time-dependent response of the solid material to such a shear transformation, with a proper account of elastic heterogeneity and shear wave propagation, we propose and implement a very simple Finite-Element (FE) -based method. Molecular Dynamics (MD) simulations of a binary Lennard-Jones glass are used as a benchmark for comparison, and information about the microscopic viscosity and the local elastic constants is directly extracted from the MD system and used as input in FE. We find very good agreement between FE and MD regarding the temporal evolution of the disorder-averaged displacement field induced by a shear transformation, which turns out to coincide with the response of a uniform elastic medium. However, fluctuations are relatively large, and their magnitude is satisfactorily captured by the FE simulations of an elastically heterogeneous system. Besides, accounting for elastic anisotropy on the mesoscale is not crucial in this respect. The proposed method thus paves the way for models of the rheology of amorphous solids which are both computationally efficient and realistic, in that structural disorder and inertial effects are accounted for.

  14. Optimization Online - Optimization Software and Modeling Systems ...

    E-Print Network [OSTI]

    Optimization Software and Modeling Systems Submissions - 2009. March 2009. Modeling Languages and Systems A Structure-Conveying Modelling Language ...

  15. 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.

  16. A causal model of linkages among strategy, structure, and performance using directed acyclic graphs: A manufacturing subset of Fortune 500 industrials 1990-1998 

    E-Print Network [OSTI]

    Chong, Hogun

    2004-09-30T23:59:59.000Z

    This research explored the causal relationships among strategies, corporate structure, and performance of the largest U.S. non-financial firms using Directed Acyclic Graphs (DAGs). Corporate strategies and structure have ...

  17. Models for solvated biomolecular structures

    E-Print Network [OSTI]

    Cerutti, David

    2007-01-01T23:59:59.000Z

    Daggett, V. 2002. “Protein folding and unfolding at atomicunifying mechanism for protein folding. ” Proceedings of theV. 2004. “Prediction of protein folding rates from the amino

  18. Models for solvated biomolecular structures

    E-Print Network [OSTI]

    Cerutti, David

    2007-01-01T23:59:59.000Z

    the total solvation energy, ?G solv , can be captured in theform (Equation IV.1): ?G solv = i sq i f (r ij ) + f + g (Tterms as in Equation IV.3: ?G solv = ?G polar + ?G apolar (

  19. Supplementary Information MODELING HIERARCHICALLY STRUCTURED

    E-Print Network [OSTI]

    Lisal, Martin

    (DEA), University of Trieste, via Valerio 10, 34127 Trieste, Italy. c Department of Physics, Faculty MOSE-DEA, University of Trieste, Italy # These authors equally contributed to this work TABLE

  20. Structured Support Vector Machines for Noise Robust Continuous Speech Recognition

    E-Print Network [OSTI]

    Gales, Mark

    in discriminative models, e.g., Structured Conditional Random Fields (SCRF) [2], and struc- tured Log Linear Model

  1. Application of a New Structural Model & Exploration Technologies to Define a Blind Geothermal System: A Viable Alternative to Grid Drilling for Geothermal Exploration: McCoy, Churchill County, NV

    Broader source: Energy.gov [DOE]

    DOE Geothermal Technologies Peer Review 2010 - Presentation. Relevance of research: Improve exploration technologies for range-hosted geothermal systems:Employ new concept models and apply existing methods in new ways; Breaking geothermal exploration tasks into new steps, segmenting the problem differently; Testing new models for dilatent structures; Utilizing shallow thermal aquifer model to focus exploration; Refining electrical interpretation methods to map shallow conductive featuresIdentifying key faults as fluid conduits; and Employ soil gas surveys to detect volatile elements and gases common to geothermal systems.

  2. Structural building response review

    SciTech Connect (OSTI)

    Not Available

    1980-01-15T23:59:59.000Z

    The integrity of a nuclear power plant during a postulated seismic event is required to protect the public against radiation. Therefore, a detailed set of seismic analyses of various structures and equipment is performed while designing a nuclear power plant. This report describes the structural response analysis method, including the structural model, soil-structure interaction as it relates to structural models, methods for seismic structural analysis, numerical integration methods, methods for non-seismic response analysis approaches for various response combinations, structural damping values, nonlinear response, uncertainties in structural properties, and structural response analysis using random properties. The report describes the state-of-the-art in these areas for nuclear power plants. It also details the past studies made at Sargent and Lundy to evaluate different alternatives and the conclusions reached for the specific purposes that those studies were intended. These results were incorporated here because they fall into the general scope of this report. The scope of the present task does not include performing new calculations.

  3. Identifying Metrical and Temporal Structure with an Autocorrelation Phase Matrix

    E-Print Network [OSTI]

    Eck, Doug

    - odic and metrical structure in digital audio. Oscillator models (Large and Kolen, 1994; Eck, 2002) have

  4. Using a 3D finite element forward modeling code to analyze resistive structures with controlled-source electromagnetics in a marine environment

    E-Print Network [OSTI]

    King, Joshua David

    2005-02-17T23:59:59.000Z

    that are varied in studying these subsurface structures are the disk radius, disk depth, the transmitter frequency, the transmitter location, and the structure orientation.The results showed that a disk of finite radius behaves similar to an infinite disk at short...

  5. Developing regionalized models of lithospheric thickness and velocity structure across Eurasia and the Middle East from jointly inverting P-wave and S-wave receiver functions with Rayleigh wave group and phase velocities

    SciTech Connect (OSTI)

    Julia, J; Nyblade, A; Hansen, S; Rodgers, A; Matzel, E

    2009-07-06T23:59:59.000Z

    In this project, we are developing models of lithospheric structure for a wide variety of tectonic regions throughout Eurasia and the Middle East by regionalizing 1D velocity models obtained by jointly inverting P-wave and S-wave receiver functions with Rayleigh wave group and phase velocities. We expect the regionalized velocity models will improve our ability to predict travel-times for local and regional phases, such as Pg, Pn, Sn and Lg, as well as travel-times for body-waves at upper mantle triplication distances in both seismic and aseismic regions of Eurasia and the Middle East. We anticipate the models will help inform and strengthen ongoing and future efforts within the NNSA labs to develop 3D velocity models for Eurasia and the Middle East, and will assist in obtaining model-based predictions where no empirical data are available and for improving locations from sparse networks using kriging. The codes needed to conduct the joint inversion of P-wave receiver functions (PRFs), S-wave receiver functions (SRFs), and dispersion velocities have already been assembled as part of ongoing research on lithospheric structure in Africa. The methodology has been tested with synthetic 'data' and case studies have been investigated with data collected at an open broadband stations in South Africa. PRFs constrain the size and S-P travel-time of seismic discontinuities in the crust and uppermost mantle, SRFs constrain the size and P-S travel-time of the lithosphere-asthenosphere boundary, and dispersion velocities constrain average S-wave velocity within frequency-dependent depth-ranges. Preliminary results show that the combination yields integrated 1D velocity models local to the recording station, where the discontinuities constrained by the receiver functions are superimposed to a background velocity model constrained by the dispersion velocities. In our first year of this project we will (i) generate 1D velocity models for open broadband seismic stations in the western half of the study area (Eurasia and the Middle East) and (ii) identify well located seismic events with event-station paths isolated to individual tectonic provinces within the study area and collect broadband waveforms and source parameters for the selected events. The 1D models obtained from the joint inversion will then be combined with published geologic terrain maps to produce regionalized models for distinctive tectonic areas within the study area, and the models will be validated through full waveform modeling of well-located seismic events recorded at local and regional distances.

  6. Structural Safety and Reliability, Corotis et al. (eds), 2001 Swets & Zeitlinger, ISBN 90 5809 197 X Moment-based fatigue load models for wind energy systems

    E-Print Network [OSTI]

    Manuel, Lance

    197 X 1 Moment-based fatigue load models for wind energy systems Steven R. Winterstein & LeRoy M. Veers Sandia National Laboratories, Wind Energy Technology Department, Albuquerque, NM 87185-0708 Keywords: load models, fatigue loads, wind energy, non-Gaussian, moment-based models, long- term, short

  7. A causal model of linkages among strategy, structure, and performance using directed acyclic graphs: A manufacturing subset of Fortune 500 industrials 1990-1998

    E-Print Network [OSTI]

    Chong, Hogun

    2004-09-30T23:59:59.000Z

    hierarchy structure, unrelated diversification, advertising expenses, and R&D intensity have direct causal influences on corporate accounting performance. Size and related diversification affected corporate accounting performance indirectly, both through...

  8. Ninebrane structures

    E-Print Network [OSTI]

    Hisham Sati

    2015-01-16T23:59:59.000Z

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

  9. Extending Noise Robust Structured Support Vector Machines to Larger Vocabulary Tasks

    E-Print Network [OSTI]

    Gales, Mark

    , e.g., Structured Conditional Random Fields (SCRF) [1], and structured Log Linear Model (LLM) [2], [3

  10. CoRoT/ESTA-TASK 1 and TASK 3 comparison of the internal structure and seismic properties of representative stellar models: Comparisons between the ASTEC, CESAM, CLES, GARSTEC and STAROX codes

    E-Print Network [OSTI]

    Yveline Lebreton; Josefina Montalban; Joergen Christensen-Dalsgaard; Ian W. Roxburgh; Achim Weiss

    2008-01-07T23:59:59.000Z

    We compare stellar models produced by different stellar evolution codes for the CoRoT/ESTA project, comparing their global quantities, their physical structure, and their oscillation properties. We discuss the differences between models and identify the underlying reasons for these differences. The stellar models are representative of potential CoRoT targets. Overall we find very good agreement between the five different codes, but with some significant deviations. We find noticeable discrepancies (though still at the per cent level) that result from the handling of the equation of state, of the opacities and of the convective boundaries. The results of our work will be helpful in interpreting future asteroseismology results from CoRoT.

  11. A multi-scale approach to statistical and model-based structural health monitoring with application to embedded sensing for wind energy

    E-Print Network [OSTI]

    Taylor, Stuart Glynn

    2013-01-01T23:59:59.000Z

    Simplified Models for Wind Turbine Blades," in 53rd AIAA/in composite wind turbine blades," Journal of IntelligentState estimate of wind turbine blades using geometrically

  12. Efficient Model Creation of Large Structures based on Range Segmentation 2nd International Symposium on 3D Data Processing, Visualization & Transmission, September 2004, Thessaloniki, Greece.

    E-Print Network [OSTI]

    Stamos, Ioannis

    areas of research as well: visualization of very large data sets, creation of model data-bases for GIS Symposium on 3D Data Processing, Visualization & Transmission, September 2004, Thessaloniki, Greece. Ioannis@andrews.cmu.edu Abstract This paper describes an efficient 3D modeling method from 3D range data-sets that is utilizing

  13. Federal and State Structures to Support Financing Utility-Scale...

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

    and State Structures to Support Financing Utility-Scale Solar Projects and the Business Models Designed to Utilize Them Federal and State Structures to Support Financing...

  14. The effect of task structure, practice schedule, and model type on the learning of relative and absolute timing by physical and observational practice

    E-Print Network [OSTI]

    Black, Charles Beyer

    2004-11-15T23:59:59.000Z

    Three experiments compared learning of relative and absolute timing of a sequential key-pressing task by physical and observational practice. Experiment 1 compared a task with a complex internal structure (goal proportions of 22.2, 44.4, 33...

  15. Effect of pH, sucrose and mannitol on structure and long-term stability of a model IgG1 antibody upon freeze-drying

    E-Print Network [OSTI]

    Park, Jihea

    2011-01-31T23:59:59.000Z

    Purpose: The purpose of this study is to investigate the effect of pH and potential stabilizers on structure and long-term stability of an IgG1 monoclonal antibody in the solid state after freeze-drying. The inter-relationships between preservation...

  16. Oral English development and its impact on emergent reading achievement: a comparative study of transitional bilingual and structured english immersion models

    E-Print Network [OSTI]

    Tong, Fuhui

    2009-05-15T23:59:59.000Z

    This quantitative study derived from an on-going federal experimental research project targeting Spanish-speaking English language learners (ELLs) receiving services in four program models: control/experimental transitional bilingual education (TBE...

  17. A wearable system that learns a kinematic model and finds structure in everyday manipulation by using absolute orientation sensors and a camera

    E-Print Network [OSTI]

    Kemp, Charles C. (Charles Clark), 1972-

    2005-01-01T23:59:59.000Z

    This thesis presents Duo, the first wearable system to autonomously learn a kinematic model of the wearer via body-mounted absolute orientation sensors and a head-mounted camera. With Duo, we demonstrate the significant ...

  18. Local structure and thermodynamic properties of model fluids containing rod-like polymers: a comparison of theory and Monte Carlo simulation

    E-Print Network [OSTI]

    Dane, D. Merrill

    1997-01-01T23:59:59.000Z

    Rigid rod polymers are an interesting and commercially important class of materials. To manipulate these materials on the macroscopic scale, one must understand their behavior on the molecular level. This research investigated model fluids...

  19. A multi-scale approach to statistical and model-based structural health monitoring with application to embedded sensing for wind energy

    E-Print Network [OSTI]

    Taylor, Stuart Glynn

    2013-01-01T23:59:59.000Z

    the LIST Wind Turbine," in 2002 ASME Wind Energy Symposium ,from the LIST turbine," in 2001 ASME Wind Energy Symposium ,wind energy production site in the Great Plains. The Micon 65/13 model turbine

  20. Deployable structures

    E-Print Network [OSTI]

    Hernández Merchan, Carlos Henrique

    1987-01-01T23:59:59.000Z

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

  1. Electronic structure of the dioxygen to transition metal bond: generalized molecular orbital calculations on models of manganese, iron, and cobalt porphyrins

    E-Print Network [OSTI]

    Newton, James Edward

    1982-01-01T23:59:59.000Z

    are reported for FeP where P = porphinato(2-) ~ (NH2)4 , (NHCH2)4 , (N4C2H10) , (N4CBH6) and for Fe(02)PL where P = porphi nato(2-), (NH2)4 , (N4C2H6) and L = imidazole, NH3. The MO calculations indicate that (N4C2H6) is a better model for the porphyri n... ring in metal-dioxygen porphyrin complexes than the model (NH ) . This model was employed in generalized molecular orbital-confi guration interaction calculations of Fe(02)P(NH3), Co(02)P(NH3), and Mn(02)P where P = (N4C2H6) The ozone...

  2. BLOCK STRUCTURED QUADRATIC PROGRAMMING FOR THE ...

    E-Print Network [OSTI]

    2009-09-11T23:59:59.000Z

    Block Structured Quadratic Programming for the Direct Multiple Shooting Method. 3. Figure 1. Coordinates, angles, and forces in the single–track car model used ...

  3. Spin dependent parton distributions and structure functions

    SciTech Connect (OSTI)

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

    2007-09-10T23:59:59.000Z

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

  4. www.cesos.ntnu.no Author Centre for Ships and Ocean Structures Stationkeeping of moored structures

    E-Print Network [OSTI]

    Nørvåg, Kjetil

    structures in drifting ice Li Zhou May 28th, 2013 #12;2 www.cesos.ntnu.no Author ­ Centre for Ships and Ocean Structures Background Numerical model Ice model test Validation Extension: heading control Conclusions of stationkeeping in ice: · Dynamic global ice loads · Response of floating structures · Local ice loads

  5. DAMAGE ASSESSMENT OF COMPOSITE PLATE STRUCTURES WITH UNCERTAINTY

    E-Print Network [OSTI]

    Boyer, Edmond

    DAMAGE ASSESSMENT OF COMPOSITE PLATE STRUCTURES WITH UNCERTAINTY Chandrashekhar M.* , Ranjan Uncertainties associated with a structural model and measured vibration data may lead to unreliable damage that material uncertainties in composite structures cause considerable problem in damage assessment which can

  6. Evolutionary dynamics in set structured populations Corina E. Tarnitaa

    E-Print Network [OSTI]

    Nowak, Martin A.

    Evolutionary dynamics in set structured populations Corina E. Tarnitaa , Tibor Antala , Hisashi a powerful method to study dynamical population structure: evolutionary set theory. The individuals of popu- lation structure on evolutionary and ecological dynamics. These approaches include spatial models

  7. Ambient noise energy bursts observation and modeling: trapping of harmonic structure-soil induced-waves in a topmost sedimentary layer

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    of an industrial chimney. In-situ measurements of the chimney dynamic characteristics show a coincidence between is then numerically simulated using simple impedance models, and two geotechnical profiles. Simulations exhibit., 2002). Bouguer anomaly analysis of gravity measurements at more than 400 points (Vallon, personal

  8. Setting up the models on NYU's High Performance Computing System I recommend that you start with the exact same structure for running the

    E-Print Network [OSTI]

    Gerber, Edwin

    Setting up the models on NYU's High Performance Computing System I recommend that you start to understand how it all works. This is set up for work on bowery, as this is the main machine for parallel output or data. This file system is backed up, but it is small -- your quota is on the order

  9. Gravity modeling of the Song Hong basin: an insight into its crustal structure and implication for the formation of the basin

    E-Print Network [OSTI]

    Nguyen, Vu Giang

    1996-01-01T23:59:59.000Z

    3-D gravity inversion and rift stretching models are used in the Song Hong basin to determine the general configuration of the upper mantle and the mechanism for its formation in the region. The basin approximately 200 km wide by 600 km in length...

  10. Ab-initio First Principle Modeling of Structural and Magnetic Phase Transformations in Co-Ni-Al Based Shape Memory Alloys 

    E-Print Network [OSTI]

    Thawabi, Hassan S

    2013-04-16T23:59:59.000Z

    be considered in conjunction to the e/a ratio if the composition profile of the Ms is to be determined. Both Monte-Carlo and Ab-initio simulations were implemented to obtain the magnetic Heisenberg’s exchange coupling parameters (J m) and model the magnetic...

  11. Published in Proceedings of the XL2003 (Response of Structures to Extreme Loading) Conference, Toronto, August 2003. EFFICIENT MODELS FOR WIND TURBINE EXTREME LOADS

    E-Print Network [OSTI]

    Manuel, Lance

    , Toronto, August 2003. EFFICIENT MODELS FOR WIND TURBINE EXTREME LOADS USING INVERSE RELIABILITY K, USA ABSTRACT The reliability of wind turbines against extreme loads is the focus of this study loads for a 600kW three-bladed horizontal-axis wind turbine. Only operating loads ­ here, flapwise (out

  12. Vacuum Structure and Potential

    E-Print Network [OSTI]

    J. X. Zheng-Johansson

    2007-04-02T23:59:59.000Z

    Based on overall experimental observations, especially the pair processes, I developed a model structure of the vacuum along with a basic-particle formation scheme begun in 2000 (with collaborator P-I Johansson). The model consists in that the vacuum is, briefly, filled of neutral but polarizable vacuuons, consisting each of a p-vaculeon and n- vaculeon of charges $+e$ and $-e$ of zero rest masses but with spin motions, assumed interacting each other with a Coulomb force. The model has been introduced in full in a book (Nova Sci, 2005) and referred to in a number of journal/E-print papers. I outline in this easier accessible paper the detailed derivation of the model and a corresponding quantitative determination of the vacuuon size.

  13. A new strategy for discrete element numerical models: 2. Sandbox applications

    E-Print Network [OSTI]

    Sandiford, Mike

    and visualized by the modeler. Reliable modeling of geomechanic processes enables the structural interpreter

  14. Photovoltaics Business Models

    SciTech Connect (OSTI)

    Frantzis, L.; Graham, S.; Katofsky, R.; Sawyer, H.

    2008-02-01T23:59:59.000Z

    This report summarizes work to better understand the structure of future photovoltaics business models and the research, development, and demonstration required to support their deployment.

  15. Structured Finance

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

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

  16. Investigating Flow-Structure Interactions in Cerebral Aneurysms...

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

    Investigating Flow-Structure Interactions in Cerebral Aneurysms Share Topic Programs Mathematics, computing, & computer science Modeling, simulation, & visualization...

  17. 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.

  18. 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.

  19. Origin and Structure of Dynamic Cooperative Networks

    E-Print Network [OSTI]

    Hauert, Christoph

    Origin and Structure of Dynamic Cooperative Networks Lucas Wardil & Christoph Hauert Department the local structure of the social network. Here we propose a simple theoretical framework to model dynamic among coop- erators2­4 . Social networks represent a dynamical abstraction of social structures

  20. Periodic ordering of clusters and stripes in a two-dimensional lattice model. I. Ground state, mean-field phase diagram and structure of the disordered phases

    SciTech Connect (OSTI)

    Pekalski, J.; Ciach, A. [Institute of Physical Chemistry, Polish Academy of Sciences, 01-224 Warszawa (Poland)] [Institute of Physical Chemistry, Polish Academy of Sciences, 01-224 Warszawa (Poland); Almarza, N. G. [Instituto de Química Física Rocasolano, CSIC, Serrano 119, E-28006 Madrid (Spain)] [Instituto de Química Física Rocasolano, CSIC, Serrano 119, E-28006 Madrid (Spain)

    2014-03-21T23:59:59.000Z

    The short-range attraction and long-range repulsion between nanoparticles or macromolecules can lead to spontaneous pattern formation on solid surfaces, fluid interfaces, or membranes. In order to study the self-assembly in such systems we consider a triangular lattice model with nearest-neighbor attraction and third-neighbor repulsion. At the ground state of the model (T = 0) the lattice is empty for small values of the chemical potential ?, and fully occupied for large ?. For intermediate values of ? periodically distributed clusters, bubbles, or stripes appear if the repulsion is sufficiently strong. At the phase coexistences between the vacuum and the ordered cluster phases and between the cluster and the lamellar (stripe) phases the entropy per site does not vanish. As a consequence of this ground state degeneracy, disordered fluid phases consisting of clusters or stripes are stable, and the surface tension vanishes. For T > 0 we construct the phase diagram in the mean-field approximation and calculate the correlation function in the self-consistent Brazovskii-type field theory.

  1. Superconducting structure

    DOE Patents [OSTI]

    Kwon, Chuhee (Los Alamos, NM); Jia, Quanxi (Los Alamos, NM); Foltyn, Stephen R. (Los Alamos, NM)

    2003-04-01T23:59:59.000Z

    A superconductive structure including a dielectric oxide substrate, a thin buffer layer of a superconducting material thereon; and, a layer of a rare earth-barium-copper oxide superconducting film thereon the thin layer of yttrium-barium-copper oxide, the rare earth selected from the group consisting of samarium, gadolinium, ytterbium, erbium, neodymium, dysprosium, holmium, lutetium, a combination of more than one element from the rare earth group and a combination of one or more elements from the rare earth group with yttrium, the buffer layer of superconducting material characterized as having chemical and structural compatibility with the dielectric oxide substrate and the rare earth-barium-copper oxide superconducting film is provided.

  2. Terminal structure

    DOE Patents [OSTI]

    Schmidt, Frank (Langenhagen, DE); Allais, Arnaud (Hannover, DE); Mirebeau, Pierre (Villebon sur Yvette, FR); Ganhungu, Francois (Vieux-Reng, FR); Lallouet, Nicolas (Saint Martin Boulogne, FR)

    2009-10-20T23:59:59.000Z

    A terminal structure (2) for a superconducting cable (1) is described. It consists of a conductor (2a) and an insulator (2b) that surrounds the conductor (2a), wherein the superconducting cable (1) has a core with a superconducting conductor (5) and a layer of insulation that surrounds the conductor (5), and wherein the core is arranged in such a way that it can move longitudinally in a cryostat. The conductor (2a) of the terminal structure (2) is electrically connected with the superconducting conductor (5) or with a normal conductor (6) that is connected with the superconducting conductor (5) by means of a tubular part (7) made of an electrically conductive material, wherein the superconducting conductor (5) or the normal conductor (6) can slide in the part (7) in the direction of the superconductor.

  3. Superconducting Structure

    DOE Patents [OSTI]

    Kwon, Chuhee (Los Alamos, NM); Jia, Quanxi (Los Alamos, NM); Foltyn, Stephen R. (Los Alamos, NM)

    2005-09-13T23:59:59.000Z

    A superconductive structure including a dielectric oxide substrate, a thin buffer layer of a superconducting material thereon; and, a layer of a rare earth-barium-copper oxide superconducting film thereon the thin layer of yttrium-barium-copper oxide, the rare earth selected from the group consisting of samarium, gadolinium, ytterbium, erbium, neodymium, dysprosium, holmium, lutetium, a combination of more than one element from the rare earth group and a combination of one or more elements from the rare earth group with yttrium, the buffer layer of superconducting material characterized as having chemical and structural compatibility with the dielectric oxide substrate and the rare earth-barium-copper oxide superconducting film is provided.

  4. Energetics and structure in solvent: A dielectric continuum model of solvation combined with molecular mechanics, Ab Initio, and Semi-empirical molecular orbital treatments of the solute

    SciTech Connect (OSTI)

    Tawa, G.J. [Frederick Cancer Research and Development Center, MD (United States); Pratt, L.R.; Martin, R.L. [Los Alamos National Lab., NM (United States)

    1996-12-31T23:59:59.000Z

    We present a method for computing the electrostatic component of the solvation free energy, {Delta}G{sup el}, of a solute molecule in the presence of solvent modeled as a dielectric continuum. The method is based on an integral form of Poisson`s equation which is solved to obtain a distribution of induced polarization charge at the solute-solvent dielectric interface. The solution of Poisson`s equation is obtained by application of a boundary element procedure. The method is tested by comparing its predictions of {Delta}G{sup el} to exact values for several model problems. The method is then used in a variety of contexts to assess its qualitative prediction ability. It is first combined with a molecular mechanics treatment of the solute to evaluate the effects of aqueous solvent on the conformational equilibria of several small molecules of interest-these are N-methyl acetamide and alanine dipeptide. For both molecules dielectric continuum solvation predicts torsional free energies of solvation that are in accord with other more complete treatments of solvation. The method is then combined with ab initio and semi-empirical molecular orbital theory for the solute. Self consistent reaction field calculations (SCRF) are performed to evaluate the correlation is in general very good. Relative agreement with experiment is best for ions where electrostatics predominate and worst for non-polar neutral molecules were electrostatics are minor. Semi-empirical configuration interaction SCRF calculations are also performed in the presence of solvent in order to determine ground-to-excited state absorption energy shifts for formaldehyde and indole mine ground-to-excited state absorption energy shifts for formaldehyde and indole when placed in water. We find a rough correlation between transition energy shifts and the dipole moments of the initial and final states involved in the transition.

  5. vol. 181, no. 6 the american naturalist june 2013 Adaptive Dynamics with Interaction Structure

    E-Print Network [OSTI]

    Nowak, Martin A.

    dynamics depend critically on a popula- tion's interaction structure--the pattern of which individuals equation of adaptive dynamics with in- teraction structure, characterizes expected evolutionary varies with a model's structure coefficient. Keywords: adaptive dynamics, interaction structure

  6. Data Modeling and Theory Construction

    E-Print Network [OSTI]

    Jan de Leeuw

    2011-01-01T23:59:59.000Z

    MODELING AND THEORY CONSTRUCTION F. Suppe. The Structure ofMODELING AND THEORY CONSTRUCTION JAN DE LEEUW This paper wasMODELING AND THEORY CONSTRUCTION F????? 1. The Scientist

  7. Airfoil structure

    DOE Patents [OSTI]

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

    1998-01-13T23:59:59.000Z

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

  8. Airfoil structure

    DOE Patents [OSTI]

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

    1998-01-01T23:59:59.000Z

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

  9. Structural Modeling and Analysis of Structures in Aorta Images

    E-Print Network [OSTI]

    Xu, Hai

    2012-10-19T23:59:59.000Z

    ). ........................ 10 Figure 4. A synthetic binary image consisting of five sinusoidal curves was used to verify the accuracy of my Radon Transform (RT) algorithm. ............ 14 Figure 5. Computed angle for the principal (circumferential) direction estimated...) thickness across the arterial wall. In this dissertation, I propose an image analysis scheme to delineate spatial patterns of EL such as changes in its thickness across the arterial wall. Key features of my scheme include: 1) a Radon Transform based...

  10. Implicit function modeling of neuron morphology

    E-Print Network [OSTI]

    Tewari, Sandeep

    1995-01-01T23:59:59.000Z

    for these models. In addition. the growth and connectivity of space-fining neuronal structures has been modeled. The close-packing of these neuronal structures precludes their assembly from individual fully-grown neurons. A ray tracing strategy emulates...

  11. Essays on inference and strategic modeling

    E-Print Network [OSTI]

    Gillen, Benjamin J.

    2010-01-01T23:59:59.000Z

    and Q Vuong. Structural econometric analysis of descendinga class of nonregular econometric models. Econometrica, 72(for parameter sets in econometric models. Econometrica, 75(

  12. Variable Structure Control of a

    E-Print Network [OSTI]

    Ge, Shuzhi Sam

    . INTRODUCTION Modelling and control of flexible link manipulators have been studied intensively controller for regulation of a flexible beam. Due to its simplicity and robustness to parametricVariable Structure Control of a Distributed-Parameter Flexible Beam S. S. Ge,* T. H. Lee, G. Zhu, F

  13. Scaling of structural failure

    SciTech Connect (OSTI)

    Bazant, Z.P. [Northwestern Univ., Evanston, IL (United States); Chen, Er-Ping [Sandia National Lab., Albuquerque, NM (United States)

    1997-01-01T23:59:59.000Z

    This article attempts to review the progress achieved in the understanding of scaling and size effect in the failure of structures. Particular emphasis is placed on quasibrittle materials for which the size effect is complicated. Attention is focused on three main types of size effects, namely the statistical size effect due to randomness of strength, the energy release size effect, and the possible size effect due to fractality of fracture or microcracks. Definitive conclusions on the applicability of these theories are drawn. Subsequently, the article discusses the application of the known size effect law for the measurement of material fracture properties, and the modeling of the size effect by the cohesive crack model, nonlocal finite element models and discrete element models. Extensions to compression failure and to the rate-dependent material behavior are also outlined. The damage constitutive law needed for describing a microcracked material in the fracture process zone is discussed. Various applications to quasibrittle materials, including concrete, sea ice, fiber composites, rocks and ceramics are presented.

  14. Biochemistry and Structure-Function Relationships in the Proteinaceous Egg Capsules of Busycotypus canaliculatus

    E-Print Network [OSTI]

    Wasko, Stephen S.

    2010-01-01T23:59:59.000Z

    material, and supports the model that some supramolecularsupramolecular structure of how the individual proteins interact in the intact materialmaterials, are very hierarchical structures with multiple levels of supramolecular

  15. Modeling Arcs

    SciTech Connect (OSTI)

    Insepov, Z.; Norem, J. [Argonne National Lab, Argonne, IL 60439 (United States); Vetizer, S.; Mahalingam, S. [Tech-X Corp., Boulder, CO (United States)

    2011-12-23T23:59:59.000Z

    Although vacuum arcs were first identified over 110 years ago, they are not yet well understood. We have since developed a model of breakdown and gradient limits that tries to explain, in a self-consistent way: arc triggering, plasma initiation, plasma evolution, surface damage and gradient limits. We use simple PIC codes for modeling plasmas, molecular dynamics for modeling surface breakdown, and surface damage, and mesoscale surface thermodynamics and finite element electrostatic codes for to evaluate surface properties. Since any given experiment seems to have more variables than data points, we have tried to consider a wide variety of arcing (rf structures, e beam welding, laser ablation, etc.) to help constrain the problem, and concentrate on common mechanisms. While the mechanisms can be comparatively simple, modeling can be challenging.

  16. Modeling Science David M. Blei

    E-Print Network [OSTI]

    Blei, David M.

    Modeling Science David M. Blei Department of Computer Science Princeton University April 17, 2008 Joint work with John Lafferty (CMU) D. Blei Modeling Science 1 / 53 #12;Modeling Science Science, August called topic models. · Use this structure for browsing, search, and similarity. D. Blei Modeling Science

  17. Models of fracture of cellular monolith structures

    E-Print Network [OSTI]

    Bath, University of

    -sections of catalytic monolith combustors. An asymptotic approach is used to describe interaction of cracks stability of a crack interacting with a micro-defect is presented. 1 Introduction A catalytic combustor factors. We consider the particular case of thermal load in Section 5. Section 6 presents numerical

  18. Preliminary Results from the Structural Model

    E-Print Network [OSTI]

    Tesfatsion, Leigh

    Validation o Actual generation levels (without distinction among coal steam technologies) and load 9.14 %9 generation levels (without distinction among coal steam technologies), load, and emissions 5.06 %5: reference case n Actual generation, demand, and emissions n Optimized coal and natural gas flows o Case B

  19. Optimized Null Model for Protein Structure Networks

    E-Print Network [OSTI]

    Milenkovic, Tijana; Filippis, Ioannis; Lappe, Michael; Przulj, Natasa

    2009-01-01T23:59:59.000Z

    play a key role in protein folding. Phys Rev E Stat Nonlinstages in non-two-state protein folding. J Mol Biol 357(5):determinants of protein folding. PNAS 12. Soyer A, Chomilier

  20. Modeling the structure of collective intelligence

    E-Print Network [OSTI]

    Dong, Wen, Ph.D. Massachusetts Institute of Technology

    2010-01-01T23:59:59.000Z

    The human problem solution process has attracted an increasing amount of interest among educators, managers, computer scientists and others. However, the discussion of the subject has suffered from the lack of stochastic ...

  1. MODELING PROTEIN INTERACTIONS THROUGH STRUCTURE ALIGNMENT

    E-Print Network [OSTI]

    Sinha, Rohita

    2011-08-31T23:59:59.000Z

    Rapid accumulation of the experimental data on protein-protein complexes drives the paradigm shift in protein docking from "traditional" template free approaches to template based techniques. Homology docking algorithms ...

  2. Structural Dynamics Model of a Cartesian Robot

    E-Print Network [OSTI]

    Reynoso, Alfonso Garcia

    1985-10-01T23:59:59.000Z

    Methods are developed for predicting vibration response characteristics of systems which change configuration during operation. A cartesian robot, an example of such a position-dependent system, served as a test case ...

  3. Coordinated Variable Structure Switching Attacks for Smart Grid

    E-Print Network [OSTI]

    Liu, Shan

    2013-02-11T23:59:59.000Z

    or more relays and circuit breakers of a power system to disrupt operation. Existence of this switching vulnerability is dependent on the local structure of the power grid. Variable structure systems theory is employed to effectively model the cyber...

  4. Two-Dimensional Almost-Riemannian Structures with Tangency Points

    E-Print Network [OSTI]

    Boyer, Edmond

    . Moreover, we present a Gauss­Bonnet formula for almost-Riemannian structures with tangency points. 1)) = ((x, y), (a, bx)) and ·, · the canonical Euclidean structure on R2. The model was originally in

  5. Two-Dimensional Almost-Riemannian Structures with Tangency Points

    E-Print Network [OSTI]

    Recanati, Catherine

    of the vector bundle corresponding to the structure. Moreover, we present a Gauss{Bonnet formula for almost the canonical Euclidean structure on R 2 . The model was originally in- troduced in the context of hypoelliptic

  6. Journal of Engineering for Industry, ASME, New York, NY, Vol. 118, No. 1, 1996, pp. 37-44. SPREAD SHEET MODEL OF CONTINUOUS CASTING

    E-Print Network [OSTI]

    Thomas, Brian G.

    ) transient solidification heat transfer model of the solidifying shell. The model structure and equations

  7. Spatiotemporal brain imaging and modeling

    E-Print Network [OSTI]

    Lin, Fa-Hsuan, 1972-

    2004-01-01T23:59:59.000Z

    This thesis integrates hardware development, data analysis, and mathematical modeling to facilitate our understanding of brain cognition. Exploration of these brain mechanisms requires both structural and functional knowledge ...

  8. Term Structure Dynamics with Macroeconomic Factors 

    E-Print Network [OSTI]

    Park, Ha-Il

    2011-02-22T23:59:59.000Z

    Affine term structure models (ATSMs) are known to have a trade-off in predicting future Treasury yields and fitting the time-varying volatility of interest rates. First, I empirically study the role of macroeconomic variables ...

  9. Structured Prediction via the Extragradient Computer Science

    E-Print Network [OSTI]

    Plotkin, Joshua B.

    -margin estima- tion of structured models, including an important class of Markov net- works and combinatorial The scope of discriminative learning methods has been expanding to encompass prediction tasks

  10. Galactic Rotation and Large Scale Structures

    E-Print Network [OSTI]

    B. G. Sidharth

    1999-04-05T23:59:59.000Z

    On the basis of a recent cosmological model, the puzzle of galactic rotational velocities at their edges is explained without invoking dark matter. A rationale for the existence of structures like galaxies and superclusters is also obtained.

  11. Active Learning of Group-Structured Environments

    E-Print Network [OSTI]

    Szepesvari, Csaba

    Active Learning of Group-Structured Environments G´abor Bart´ok, Csaba Szepesv´ari , Sandra Zilles with their environment. We investigate learning environments that have a group structure. We introduce a learning model an environment from partial information is far from trivial. However, positive results for special subclasses

  12. Environmental Modeling: Coping with Uncertainty

    E-Print Network [OSTI]

    Politècnica de Catalunya, Universitat

    ­ Statistical heterogeneity ­ Complex correlation structures · Classical models: ­ Additive noise ­ UniEnvironmental Modeling: Coping with Uncertainty Daniel M. Tartakovsky (dmt@lanl.gov) Theoretical of environmental processes 2. Parametric uncertainty 3. Current approaches to uncertainty quantification 4. Random

  13. Quasar Structure and Cosmological Feedback

    E-Print Network [OSTI]

    Martin Elvis

    2006-06-05T23:59:59.000Z

    Feedback from quasars and AGNs is being invoked frequently in several cosmological settings. Currently, order of magnitude, or more, uncertainties in the structure of both the wind and the 'obscuring torus' make predictions highly uncertain. To make testable models of this 'cosmological feedback' it is essential to understand the detailed structure of AGNs sufficiently well to predict their properties for the whole quasar population, at all redshifts. Progress in both areas is rapid, and I describe the near-term prospects for reducing these uncertainties for 'slow' (non-relativistic) AGN winds and the obscuring torus.

  14. Mathematical Modeling Arnold Neumaier

    E-Print Network [OSTI]

    Neumaier, Arnold

    units Chemistry #15; Chemical reaction dynamics #15; Molecular modeling #15; Electronic structure Biology #15; Protein folding #15; Humane genome project 2 #12; #15; Population dynamics #15; Morphogenesis calculations Computer science #15; Image processing #15; Realistic computer graphics (ray tracing

  15. Modeling Diverse Communities of

    E-Print Network [OSTI]

    Follows, Mick

    , Atmospheric, and Planetary Sciences, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139. Such models are suited to considering ecological questions, such as the regulation of patterns of biodiversity). Microbial community structure, in turn, regulates the environment and biogeochemical pathways including

  16. The Unified Approach for Model Evaluation in Structural Equation Modeling

    E-Print Network [OSTI]

    Pornprasertmanit, Sunthud

    2014-08-31T23:59:59.000Z

    by the Level of Maximal Trivial Misspecification and the Degree of Misspecification for Study 1 Selecting Only Replications that the Unified Approach Provided Conclusive Results 153 E.3 The Rejection Rates from the PPP Method with Cross Loadings Priors... . . . . . . . . . . . . . . . . . . . 154 E.4 The Rejection Rates from the PPP Method with Error Covariances Priors Classified by the Level of Maximal Trivial Misspecification, the Degree of Misspecification, and the Number of Items for Study 1 Selecting Only Replications that the Unified...

  17. Electronic Structure of Warm Dense Matter via Multicenter Green...

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

    Electronic Structure of Warm Dense Matter via Multicenter Green's Function Technique Research Personnel Modeling The proposed research addresses the Warm Dense Matter area...

  18. Fracture of welded aluminum thin-walled structures

    E-Print Network [OSTI]

    Zheng, Li, Ph. D. Massachusetts Institute of Technology

    2006-01-01T23:59:59.000Z

    A comprehensive methodology was developed in the thesis for damage prediction of welded aluminum thin-walled structures, which includes material modeling, calibration, numerical simulation and experimental verification. ...

  19. Peeling Back the Layers of Thin Film Structure and Chemistry

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

    a crystal model inset. Perovskites - any material with the same structure as calcium titanium oxide (CaTiO3) -continue to entice materials scientists with their ferroelectricity,...

  20. arthropod community structure: Topics by E-print Network

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

    Michael 143 Estimation of Structural Error in the Community Land Model Using Latent Heat Observations Computer Technologies and Information Sciences Websites Summary:...