Sample records for lysozyme structural model

  1. 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.

  2. 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.

  3. 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.

  4. E-Print Network 3.0 - antibacterial protein lysozyme Sample Search...

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

    Science 42 1548 J. Am. Chem. SOC.1995,117,1548-1549 Cooperative Elements in Protein Folding Monitored Summary: states?Thus, hen lysozyme represents an excellent model...

  5. 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...

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. Mathematical modelings of smart materials and structures

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Mathematical modelings of smart materials and structures Christian Licht , Thibaut Weller mathematical models of smart materials and smart structures. Smart materials are materials which present perturbations methods, asymptotic analysis, plates and rods models. 1 Introduction Smart materials present

  11. 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.

  12. Hybrid Model Structures Aaron David Ames

    E-Print Network [OSTI]

    Ames, Aaron

    Hybrid Model Structures by Aaron David Ames B.A. (University of St. Thomas) 2001 B.S. (University of California, Berkeley Fall 2006 #12;Hybrid Model Structures Copyright 2006 by Aaron David Ames #12;Abstract Hybrid Model Structures by Aaron David Ames Masters of Arts in Mathematics University of California

  13. Engineering Structurally Configurable Models with Model Transformation

    E-Print Network [OSTI]

    : Agilent, Bosch, HSBC, Lockheed-Martin, National Instruments, and Toyota. #12;Engineering Structurally

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

    SciTech Connect (OSTI)

    Favi, Pelagie M [ORNL; Zhang, Qiu [ORNL; O'Neill, Hugh Michael [ORNL; Mamontov, Eugene [ORNL; Omar Diallo, Souleymane [ORNL; Palmer, Jeremy [North Carolina State University

    2014-01-01T23:59:59.000Z

    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 < T < 260 K. The hydration fraction in both cases was about 0.38 gram of water per gram of dry protein. The field strengths investigated were respectively 0 kV/mm and 2 kV/mm ( 2 106 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 2 3 kV/mm for increased molecular diffusion, for which electrical breakdown is a limitation for our sample.

  15. Models for solvated biomolecular structures

    E-Print Network [OSTI]

    Cerutti, David

    2007-01-01T23:59:59.000Z

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

  16. 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

  17. 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.

  18. Structured Language Models for Statistical Machine Translation

    E-Print Network [OSTI]

    Eskenazi, Maxine

    Structured Language Models for Statistical Machine Translation Ying Zhang CMU-LTI-09-009 Language of Doctor of Philosophy In Language and Information Technologies © 2009, Ying Zhang #12;c Copyright Ying

  19. Modeling joint friction in structural dynamics.

    SciTech Connect (OSTI)

    Segalman, Daniel Joseph

    2005-05-01T23:59:59.000Z

    The presence of mechanical joints--typified by the lap joint--in otherwise linear structures has been accommodated in structural dynamics via ad hoc methods for a century. The methods range from tuning linear models to approximate non-linear behavior in restricted load ranges to various methods which introduce joint dissipation in a post-processing stage. Other methods, employing constitutive models for the joints are being developed and their routine use is on the horizon.

  20. 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.

  1. 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).

  2. 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

  3. 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.

  4. 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

  5. Precision measurements of binary and multicomponent diffusion coefficients in protein solutions relevant to crystal growth: Lysozyme chloride in water and aqueous NaCl at pH 4.5 and 25{degree}C

    SciTech Connect (OSTI)

    Albright, J.G.; Annunziata, O. [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.] [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.; Miller, D.G. [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.] [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.; [Lawrence Livermore National Lab., CA (United States); Paduano, L. [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.] [Texas Christian Univ., Fort Worth, TX (United States). Chemistry Dept.; [Univ. di Napoli, Naples (Italy). Dipt. di Chimica; Pearlstein, A.J. [Univ. of Illinois, Urbana, IL (United States). Dept. of Mechanical and Industrial Engineering] [Univ. of Illinois, Urbana, IL (United States). Dept. of Mechanical and Industrial Engineering

    1999-04-14T23:59:59.000Z

    Accurate models of protein diffusion are important in a number of applications, including liquid-liquid phase separation and growth of protein crystals for X-ray diffraction studies. In concentrated multicomponent protein systems, significant deviations from pseudobinary behavior can be expected. Rayleigh interferometry is used to measure the four elements (D{sub if}){sub v} of the ternary diffusion coefficient matrix for the extensively investigated protein, hen egg-white lysozyme (component 1) in aqueous NaCl (component 2) at pH 4.5 and 25 C. These are the first multicomponent diffusion coefficients measured for any protein system at concentrations high enough to be relevant to modeling and prediction of crystal growth or other phase transitions, and the first for a system involving lysozyme at any concentration. The four ternary diffusion coefficients for the system lysozyme chloride/NaCl/water are reported for lysozyme chloride at 0.60 mM (8.6 mg/mL) and NaCl at concentrations of 0.25, 0.50, 0.65, 0.90, and 1.30 M (1.4, 2.8, 3.7, 5.1, and 7.2 wt %), with the latter two compositions being supersaturated. One cross-term, (D{sub 21}){sub v}, is 80--259 times larger than the main term (D{sub 11}){sub v} and 7--18 times larger than (D{sub 22}){sub v}. Standard interferometric diagnostic tests indicate that aggregation is unimportant in the experiments. The authors also present binary diffusion coefficients D{sub v} for lysozyme chloride/water at concentrations from 0.43 to 3.08 mM (6.2--44.1 mg/mL), at the same pH and temperature. The precision of the results is about 0.1% for the binary diffusion coefficients and diagonal ternary diffusion coefficients, and about 1--2% for the cross-terms. For the ternary systems investigated, they show that a single pseudobinary diffusion coefficient does not accurately describe diffusive transport, and predictions by simple models such as the Nernst-Hartley equations are inaccurate at the higher concentrations considered here. Finally, dynamic light-scattering diffusion coefficients, differing form both the interferometrically measured (D{sub ij}){sub v} and a theoretical prediction of light-scattering diffusion coefficients in multicomponent systems, are reported for the same solutions used for the ternary experiments at 1.30 M.

  6. 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

  7. 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

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

    E-Print Network [OSTI]

    Buehlmann, Peter

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

  9. Modeling 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...

  10. 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...

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

    Open Energy Info (EERE)

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

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

    Open Energy Info (EERE)

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

  13. A Structure-Conveying Modelling Language for Mathematical and ...

    E-Print Network [OSTI]

    2009-09-29T23:59:59.000Z

    Mar 24, 2009 ... SET [15] offers facilities to declare the structure of a model as a postscript to the problem: an ... to have been abandoned. Overall, the main ...

  14. A dynamic term structure model of Central Bank policy

    E-Print Network [OSTI]

    Staker, Shawn W

    2009-01-01T23:59:59.000Z

    This thesis investigates the implications of explicitly modeling the monetary policy of the Central Bank within a Dynamic Term Structure Model (DTSM). We follow Piazzesi (2005) and implement monetary policy by including ...

  15. Phenomenological band structure model of magnetic coupling in semiconductors

    E-Print Network [OSTI]

    Gong, Xingao

    Phenomenological band structure model of magnetic coupling in semiconductors Gustavo M. Dalpian a,1­18]. Several models have been proposed to explain the phenomena, including the phenomenological Zener

  16. 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

  17. 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...

  18. 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

  19. 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

  20. 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.

  1. Investigation of tornado models and structure by use of radar

    E-Print Network [OSTI]

    Finley, William Andrew

    2012-06-07T23:59:59.000Z

    Vortex Theory . parent Call Structure Distributioa of snd Coaditioas in the Air Masses . Tornado Structure ~ ~ ~ ~ ~ ~ ~, ~ ~ ~ * Dissussiea of Ccaditions and Models Revise of Various Models . Directioa of plou Directica of Rotstioa... Vortex 30 10. Ridge of Cold Air with Contour Lines ll. Norixontal Pro)ection of Tornado and Associated 33 Thunderstorn Call 37 12. Vertical Cross Section through the Eye of a Tornado Justification. Contributions to our knowledge of the structure...

  2. 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...

  3. 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

  4. Smart Structures: Model Development and Control Applications

    E-Print Network [OSTI]

    advances in material science have produced a class of systems termed smart, intelligent or adaptive range. Actuators and sensors comprised of smart or active materials can meet these criteria. Like the definition for smart structures, the definitions of smart or active materials can vary somewhat between

  5. 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, ...

  6. 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...

  7. 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...

  8. MODELLING UNCONSOLIDATED RUBBLE FORCES ON A CYLINDRICAL STRUCTURE

    E-Print Network [OSTI]

    Bruneau, Steve

    , MODELLING UNCONSOLIDATED RUBBLE FORCES ON A CYLINDRICAL STRUCTURE RF. McKenna and S structlJre and unconsolidated ice ridges. The tests were conducted with a 0.32 m diameter structure in unconsolidated ridges are given in McKenna el al. (1995). The tests provide a means of correlating the forces

  9. 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

  10. Material-modeling and structural-mechanics aspects

    E-Print Network [OSTI]

    Grujicic, Mica

    Material-modeling and structural-mechanics aspects of the traumatic brain injury problem M for causing traumatic brain injury. Design/methodology/approach ­ Two levels of blast peak overpressure were computational investigation of impact on a human skull/brain assembly. Keywords Brain, Injuries, Modeling

  11. 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

  12. Scaled Experimental Modeling of Geologic Structures Rutgers University

    E-Print Network [OSTI]

    of uncertainty associated with hydrocarbon exploration and production. Furthermore, experimental models allow us in the Department of Geological Sciences at Rutgers University. She has thirty years of experience in the oil & gas experimental models provide valuable information about structural processes, especially those not observed

  13. 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.

  14. 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

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

    E-Print Network [OSTI]

    Claudin, Philippe

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

  16. 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

  17. Structured Deformations as Energy Minimizers in Models of Fracture and

    E-Print Network [OSTI]

    Structured Deformations as Energy Minimizers in Models of Fracture and Hysteresis R. Choksi and for a bar experiencing both smooth exten- sion and macroscopic fractures then are determined, and applications to the shearing of single crystals and to the cohesive fracture of solids are discussed. Yield

  18. 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

  19. Modelling the coppice stand structure: an ecophysiological approach

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Modelling the coppice stand structure: an ecophysiological approach G.E. Scarascia-Mugnozza, and A is managed as a coppice with standards, with 2400 sprouts on about 1200 stumps/ha and with 96 standards/ha. The latter are trees, managed on a longer rotation than the coppice, to produce seeds for the regeneration

  20. 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

  1. Generative Models for Super-Resolution Single Molecule Microscopy Images of Biological Structures

    E-Print Network [OSTI]

    Matsuda, Noboru

    an information bridge between super-resolution microscopy and structural biology by using generative models

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

    E-Print Network [OSTI]

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

    2013-05-03T23:59:59.000Z

    - sozyme (5). This high-level resistance to lysozyme (#1;62mg/ml) is predominantly attributed to the extracytoplasmic function (ECF) sigma factor SigV (5). ECF sigma factors are sequestered by mem- brane-bound anti-sigma factors and rendered inactive... selectable and counterselectable markers that aid in the selection of mutants containing the targeted deletions. The primers used for all the deletions are listed in Table 3. Flanking regions (#4;1 kb) from both the 5= and 3= ends of sigV, rsiV, pgdA, and eep...

  3. 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...

  4. 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.

  5. 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.

  6. 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

  7. 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...

  8. 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.

  9. Modeling environmental effects on the size-structured energy flow through marine ecosystems. Part 1: The model

    E-Print Network [OSTI]

    Poggiale, Jean-Christophe

    Modeling environmental effects on the size-structured energy flow through marine ecosystems. Part 1 size-structured mathematical model of the energy flow through marine ecosystems, based on established-dependent. The physiological bases of the model are derived from the dynamic energy budget theory. The model outputs

  10. 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.

  11. 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.

  12. Deformations of Geometric Structures in Topological Sigma Models

    SciTech Connect (OSTI)

    Bytsenko, A. A. [Departamento de Fisica, Universidade Estadual de Londrina, Caixa Postal 6001, Londrina-Parana (Brazil)

    2010-11-25T23:59:59.000Z

    We study a Lie algebra of formal vector fields W{sub n} with it application to the perturbative deformed holomorphic symplectic structure in the A-model, and a Calabi-Yau manifold with boundaries in the B-model. We show that equivalent classes of deformations are described by a Hochschild cohomology of the DG-algebra A = (A,Q), Q = {partial_derivative}-bar+{partial_derivative}{sub deform,} which is defined to be the cohomology of (-1){sup n}Q+d{sub Hoch}. Here {partial_derivative}-bar is the initial non-deformed BRST operator while {partial_derivative}{sub deform} is the deformed part whose algebra is a Lie algebra of linear vector fields gl{sub n}.

  13. 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.

  14. 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

  15. PROTOPLANETARY DISK STRUCTURE WITH GRAIN EVOLUTION: THE ANDES MODEL

    SciTech Connect (OSTI)

    Akimkin, V.; Wiebe, D.; Pavlyuchenkov, Ya. [Institute of Astronomy of the RAS, Pyatnitskaya str. 48, Moscow (Russian Federation)] [Institute of Astronomy of the RAS, Pyatnitskaya str. 48, Moscow (Russian Federation); Zhukovska, S.; Semenov, D.; Henning, Th. [Max-Planck-Institute for Astronomy, Koenigstuhl 17, D-69117 Heidelberg (Germany)] [Max-Planck-Institute for Astronomy, Koenigstuhl 17, D-69117 Heidelberg (Germany); Vasyunin, A. [Department of Chemistry, The University of Virginia, VA (United States)] [Department of Chemistry, The University of Virginia, VA (United States); Birnstiel, T., E-mail: akimkin@inasan.ru, E-mail: dwiebe@inasan.ru, E-mail: pavyar@inasan.ru, E-mail: zhukovska@mpia.de, E-mail: semenov@mpia.de, E-mail: henning@mpia.de, E-mail: anton.vasyunin@gmail.com, E-mail: tbirnstiel@cfa.harvard.edu [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

    2013-03-20T23:59:59.000Z

    We present a self-consistent model of a protoplanetary disk: 'ANDES' ('AccretioN disk with Dust Evolution and Sedimentation'). ANDES is based on a flexible and extendable modular structure that includes (1) a 1+1D frequency-dependent continuum radiative transfer module, (2) a module to calculate the chemical evolution using an extended gas-grain network with UV/X-ray-driven processes and surface reactions, (3) a module to calculate the gas thermal energy balance, and (4) a 1+1D module that simulates dust grain evolution. For the first time, grain evolution and time-dependent molecular chemistry are included in a protoplanetary disk model. We find that grain growth and sedimentation of large grains onto the disk midplane lead to a dust-depleted atmosphere. Consequently, dust and gas temperatures become higher in the inner disk (R {approx}< 50 AU) and lower in the outer disk (R {approx}> 50 AU), in comparison with the disk model with pristine dust. The response of disk chemical structure to the dust growth and sedimentation is twofold. First, due to higher transparency a partly UV-shielded molecular layer is shifted closer to the dense midplane. Second, the presence of big grains in the disk midplane delays the freeze-out of volatile gas-phase species such as CO there, while in adjacent upper layers the depletion is still effective. Molecular concentrations and thus column densities of many species are enhanced in the disk model with dust evolution, e.g., CO{sub 2}, NH{sub 2}CN, HNO, H{sub 2}O, HCOOH, HCN, and CO. We also show that time-dependent chemistry is important for a proper description of gas thermal balance.

  16. 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

  17. 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

  18. Mnemonic Structure and Sociality: A Computational Agent-Based Simulation Model

    E-Print Network [OSTI]

    George Mason University

    Mnemonic Structure and Sociality: A Computational Agent-Based Simulation Model Claudio Cioffi-agent social simulation models are designed with agents lacking explicit internal information transformations affect human and social dynamics? Most computational multi-agent social simulation models

  19. 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

  20. 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...

  1. 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-.

  2. Recombinatoric exploration of novel folded structures: heteropolymerbased model

    E-Print Network [OSTI]

    Chan, Hue Sun

    construction thus formally very similar Bryngelson and Wolynes' (11) seminal random energy model treatment # neutral # sequence space # thermodynamic stability # protein models I is widely recognized events

  3. Managerial Coaching Behavior and Employee Outcomes: A Structural Equation Modeling Analysis

    E-Print Network [OSTI]

    Kim, Sewon

    2012-10-19T23:59:59.000Z

    ‘s alpha estimates for reliability, correlation analysis, two-step modeling techniques for structural equation modeling, and Sobel tests were the analysis methods used in the study. The results of the analyses indicated that the hypothesized conceptual...

  4. 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

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

    E-Print Network [OSTI]

    Gole, Kimberly

    2014-01-01T23:59:59.000Z

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

  6. 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 ...

  7. 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

  8. 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

  9. 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

  10. Random Forest-Based Protein Model Quality Assessment (RFMQA) Using Structural Features and Potential Energy

    E-Print Network [OSTI]

    Lee, Jooyoung

    Random Forest-Based Protein Model Quality Assessment (RFMQA) Using Structural Features and Potential Energy Terms Balachandran Manavalan, Juyong Lee, Jooyoung Lee* Center for In Silico Protein in protein structure prediction. In this study, we present the first application of random forest based model

  11. 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

  12. 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

  13. 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...

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

    E-Print Network [OSTI]

    Somayeh Moazeni

    2014-06-30T23:59:59.000Z

    Jun 30, 2014 ... Keywords: Electricity market; Electricity price modeling; Energy trading; Supply stack. Category 1: Applications -- OR and Management ...

  15. Modeling H2 adsorption in carbon-based structures

    E-Print Network [OSTI]

    Lamonte, Kevin Anthony

    2009-05-15T23:59:59.000Z

    . One promising area of research is hydrogen physi-sorbed into carbonbased structures such as nanotubes and graphene. Two novel systems consisting of a phthalocyanine salt with a large cation were studied. Ab initio, density functional theory...

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

    E-Print Network [OSTI]

    2014-10-09T23:59:59.000Z

    Capacity constraints (at lines 14 and 25) to model the edge capacity for routing ... The benchmark is typically the performance of a market index or a com-.

  17. 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.

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

    E-Print Network [OSTI]

    Lutz, James Delmar

    2012-06-07T23:59:59.000Z

    on approximate 6 analysis techniques based on finite elements has begun. Such techniques as reduced basis techniques and generalized transform methods offer hope of solving the finite element 8 equations more efficiently. An integrated thermal/structural... integrated analysis codes. However, Mahaney, Thornton, and Dechaumphai have identified require 5 ments for such thermal/structural programs. They concluded that such analysis methods should have the following five characteristics. First, a common finite...

  19. 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.

  20. 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.

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

    E-Print Network [OSTI]

    Redon, Stephane - NRIA Grenoble

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

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

    E-Print Network [OSTI]

    Boyer, Edmond

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

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

    E-Print Network [OSTI]

    Boyer, Edmond

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

  5. Structure and anomalous solubility for hard spheres in an associating lattice gas model

    E-Print Network [OSTI]

    Barbosa, Marcia C. B.

    Structure and anomalous solubility for hard spheres in an associating lattice gas model Marcia M spheres in an associating lattice gas model Marcia M. Szortyka,1,a) Mauricio Girardi,2,b) Vera B-sphere gas in a solvent modeled as an associating lattice gas. The solution phase diagram for solute at 5

  6. Fixation at a locus with multiple alleles: Structure and solution of the Wright Fisher model

    E-Print Network [OSTI]

    Waxman, David

    Fixation at a locus with multiple alleles: Structure and solution of the Wright Fisher model D genetics a b s t r a c t We consider the Wright Fisher model for a finite population of diploid sexual mathematical representation of the Wright Fisher model that applies for arbitrary numbers of alleles. Within

  7. The temporal cascade structure of reanalyses and Global Circulation models

    E-Print Network [OSTI]

    Lovejoy, Shaun

    and stochastic forecasting. 1. Introduction "Weather prediction by Numerical Process" (Richardson, 1922 equations. While these equations are deterministic, numerical weather prediction has been increasingly of the deterministic models. Interestingly, Richardson is not only the father of numerical weather forecasting, he

  8. 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...

  9. 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 ...

  10. Hubble expansion & Structure Formation in Time Varying Vacuum Models

    E-Print Network [OSTI]

    S. Basilakos; M. Plionis; J. Sola

    2009-09-22T23:59:59.000Z

    We investigate the properties of the FLRW flat cosmological models in which the vacuum energy density evolves with time, $\\Lambda(t)$. Using different versions of the $\\Lambda(t)$ model, namely quantum field vacuum, power series vacuum and power law vacuum, we find that the main cosmological functions such as the scale factor of the universe, the Hubble expansion rate $H$ and the energy densities are defined analytically. Performing a joint likelihood analysis of the recent supernovae type Ia data, the Cosmic Microwave Background (CMB) shift parameter and the Baryonic Acoustic Oscillations (BAOs) traced by the Sloan Digital Sky Survey (SDSS) galaxies, we put tight constraints on the main cosmological parameters of the $\\Lambda(t)$ scenarios. Furthermore, we study the linear matter fluctuation field and the growth rate of clustering of the above vacuum models. Finally, we derived the theoretically predicted dark-matter halo mass function and the corresponding distribution of cluster-size halos for all the models studied. Their expected redshift distribution indicates that it will be difficult to distinguish the closely resembling models (constant vacuum, quantum field and power-law vacuum), using realistic future X-ray surveys of cluster abundances. However, cluster surveys based on the Sunayev-Zeldovich detection method give some hope to distinguish the closely resembling models at high redshifts.

  11. An improved lake model for climate simulations: Model structure, evaluation, and sensitivity analyses in CESM1

    E-Print Network [OSTI]

    Subin, Z.M.

    2013-01-01T23:59:59.000Z

    into the numerical weather prediction model COSMO, BorealCurrent numerical weather prediction (NWP) models, regionalof lakes in numerical weather prediction and climate models:

  12. 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

  13. 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

  14. 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

  15. Structure of light meson multiplets and a semirelativistic model

    SciTech Connect (OSTI)

    Fulcher, L.P.

    1986-11-01T23:59:59.000Z

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

  16. Seismic structural response from continuous and discrete models

    E-Print Network [OSTI]

    Roberts, Matthew Wade

    2012-06-07T23:59:59.000Z

    . Derivation . 2. Solving the Shear Beam Differential Equation 3. Adding Damping to the Shear Beam Model D. Comparisons of Results from the Models E. Simple Dynamic Tests of the Models 1. Acceleration Pulse 2. Velocity Pulse . 3. Instantaneous Pulse... + asst) + C(tt t tt 4 + a4vt + t23ttt) Solve Kttt+ttt = p, for Btt t3t / t+rtt ~ u0(ut+t3t ut) tt2vt tt3ttt Vt+at + Vt + ttsttt ? tt&ttt+ttt outPut ttt+ttt vt+ttt t3t+t3t t 4 ? t+Dt ut 4 ut+za vt 4 ? vt4-d, t ttt 4 ttt+za enddo...

  17. Structural Models and Endogeneity in Corporate Finance: The Link Between Managerial Ownership and Corporate Performance

    E-Print Network [OSTI]

    Coles, Jeffrey L.; Lemmon, Michael L.; Meschke, Felix

    2012-01-01T23:59:59.000Z

    This paper presents a parsimonious, structural model that isolates primary economic determinants of the level and dispersion of managerial ownership, firm scale, and performance and the empirical associations among them. ...

  18. 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...

  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. Ecological Modelling 147 (2002) 2339 Dispersal success on spatially structured landscapes: when

    E-Print Network [OSTI]

    With, Kimberly A.

    Ecological Modelling 147 (2002) 23­39 Dispersal success on spatially structured landscapes: when do a simulation study in which we explored (1) the conditions under which landscape structure affects dispersal success and (2) the dependency of dispersal success on the choice of dispersal algorithm. We simulated

  3. 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

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

    E-Print Network [OSTI]

    Carmona, Rene

    A SURVEY OF COMMODITY MARKETS AND STRUCTURAL MODELS FOR ELECTRICITY PRICES RENE CARMONA AND MICHAEL attention to the most idiosyncratic of all: electricity mar- kets. Following a discussion of traded. In doing so, we present a detailed analysis of the structural approach for electricity, arguing for its

  5. 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

  6. 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

  7. 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...

  8. 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.

  9. Scientists model brain structure to help computers recognize objects

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLas ConchasPassiveSubmitted forHighlights Nuclear PhysicsDo you see what I see? Scientists model

  10. 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...

  11. Sensitive Growth Grammars Specifying Models of Forest Structure, Competition and Plant-Herbivore Interaction

    E-Print Network [OSTI]

    Kurth, Winfried

    and data interfaces to other software. 1 Introduction Simulation models which are able to reproduce. Comparison of the architecture of a classical simulation model (left), where each modification requires of irregular stand structures, (b) simulation of competitive effects on crown radius development and resulting

  12. 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 natural and simple way by using...

  13. A Structural Model of Markets in Madagascari J.S. Butler and Christine Moserii

    E-Print Network [OSTI]

    Krivobokova, Tatyana

    capacity for identifying the factors contributing to market integration or to high transfer costs1 A Structural Model of Markets in Madagascari J.S. Butler and Christine Moserii June 2009 i Model of Markets in Madagascar Abstract Market efficiency and price transmission across space

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

    E-Print Network [OSTI]

    The mathematical structure of multiphase thermal models of flow in porous media By Daniel E.A. van with the formulation and numerical solution of equations for modelling multicomponent, two-phase, thermal fluid flow typical flow behaviour that occurs during fluid injection into a reservoir. Keywords: porous media flow

  15. 3D-mesh models: view-based indexing and structural analysis

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    3D-mesh models: view-based indexing and structural analysis Mohamed Daoudi, Tarik Filali Ansary.daoudi@lifl.fr, tarik.filali@lifl.fr, julien.tierny@lifl.fr, jean-philippe.vandeborre@lifl.fr Abstract. 3D-mesh models applications, medical or military simulations, video games and so on. Indexing and analyzing these 3D data

  16. 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

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

    E-Print Network [OSTI]

    Boyer, Edmond

    Continuum Damage Mechanics at the Representative Element Volume scale is a relevant tool to deal with largeAnisotropic 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

  18. CALTECH ASCI TECHNICAL REPORT 129 On Velocity Structure Functions and the Spherical Vortex Model for

    E-Print Network [OSTI]

    Barr, Al

    the stretched-spiral vortex has been suc- cessfully applied to the calculation of the energy spectrum,6 and some for larger scales is perhaps questionable. Most quantitative vortex-based models have utilized tube and sheetCALTECH ASCI TECHNICAL REPORT 129 On Velocity Structure Functions and the Spherical Vortex Model

  19. Modeling the Global Structure of the Heliosphere during the Recent Solar Minimum

    E-Print Network [OSTI]

    California at Berkeley, University of

    , Berkeley, California. Abstract. The recent solar minimum, marking the end of solar cycle 23, has beenModeling the Global Structure of the Heliosphere during the Recent Solar Minimum: Model Mikic and Janet G. Luhmann Predictive Science, San Diego, California. Harvard-Smithsonian Center

  20. 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

  1. 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.

  2. 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...

  3. Modeling the Spread of Epidemic Cholera: an Age-Structured Model

    E-Print Network [OSTI]

    Gobbert, Matthias K.

    in crowded conditions and poor sanitation. A common type of model for the spread of an infectious disease

  4. 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.

  5. 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

  6. 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

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

    E-Print Network [OSTI]

    Sadeh, Norman M.

    ; specifically, we consider natural gas storage lease contracts (Maragos 2002). Natural gas is an important flows of commodity and energy conversion assets as real options based on stochastic models the futures term structure affect the valuation and hedging of natural gas storage. We find that even small

  8. 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

  9. Structural modal interaction of a four degree of freedom bladed disk and casing model

    E-Print Network [OSTI]

    Boyer, Edmond

    Structural modal interaction of a four degree of freedom bladed disk and casing model Mathias specific interaction phenomenon that may occur in turbo- machines due to radial rub between a bladed disk requirements leading to reduced clearance between blade-tips and casing together with the rotation of the blade

  10. Spectral Analysis of Synchronization in a Lossless Structure-Preserving Power Network Model

    E-Print Network [OSTI]

    Bullo, Francesco

    Spectral Analysis of Synchronization in a Lossless Structure-Preserving Power Network Model Florian D¨orfler Center for Control, Dynamical Systems, and Computation University of California at Santa Barbara Santa Barbara, CA 93106 Email: dorfler@engineering.ucsb.edu Francesco Bullo Center for Control

  11. 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

  12. A Hamilton-Jacobi approach for a model of population structured by space and trait

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    A Hamilton-Jacobi approach for a model of population structured by space and trait Emeric Bouin WKB ansatz, we prove that the propagation of the population in space can be de- scribed by a Hamilton, Hamilton-Jacobi equation, Spectral problem, Front propagation AMS Class. No: 45K05, 35B25, 49L25, 92D15, 35

  13. Structural parameters The analytical model proposed here can explain high fracture

    E-Print Network [OSTI]

    Barthelat, Francois

    Structural parameters · The analytical model proposed here can explain high fracture toughness, P.J., et al., Engineering Fracture Mechanics, 2007. 74: p. 19281941. 4. Ritchie, R.O., et al Tensile strength Fracture toughness Composite properties E max S )~( ~ aJ III. Fracture toughness

  14. Modeling of the interaction of an acoustic wave with immersed targets for telemetry of complex structures

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    are being followed: the core monitoring where transducers are directly immersed in sodium near the reactor reactors, which consists in locating various reactor structures using an ultrasonic inspection performed and applicability domains. A theoretical comparison of these models is carried out to define the more adequate one

  15. 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

  16. 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

  17. 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

  18. 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

  19. Towards QoS Prediction Based on Composition Structure Analysis and Probabilistic Environment Models

    E-Print Network [OSTI]

    Politécnica de Madrid, Universidad

    Towards QoS Prediction Based on Composition Structure Analysis and Probabilistic Environment Models Dragan Ivanovi´c Universidad Polit´ecnica de Madrid idragan@clip.dia.fi.upm.es Peerachai Kaowichakorn Universidad Polit´ecnica de Madrid p.kaowichakorn@gmail.com Manuel Carro Universidad Polit´ecnica de Madrid

  20. 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

  1. Performance of corrosion inhibiting admixtures for structural concrete -- assessment methods and predictive modeling

    SciTech Connect (OSTI)

    Yunovich, M.; Thompson, N.G. [CC Technologies Labs., Inc., Dublin, OH (United States)

    1998-12-31T23:59:59.000Z

    During the past fifteen years corrosion inhibiting admixtures (CIAs) have become increasingly popular for protection of reinforced components of highway bridges and other structures from damage induced by chlorides. However, there remains considerable debate about the benefits of CIAs in concrete. A variety of testing methods to assess the performance of CIA have been reported in the literature, ranging from tests in simulated pore solutions to long-term exposures of concrete slabs. The paper reviews the published techniques and recommends the methods which would make up a comprehensive CIA effectiveness testing program. The results of this set of tests would provide the data which can be used to rank the presently commercially available CIA and future candidate formulations utilizing a proposed predictive model. The model is based on relatively short-term laboratory testing and considers several phases of a service life of a structure (corrosion initiation, corrosion propagation without damage, and damage to the structure).

  2. 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.

  3. 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...

  4. 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.

  5. 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

  6. Structural model for the Al72Ni20Co8 decagonal quasicrystals National Renewable Energy Laboratory, Golden, Colorado 80401

    E-Print Network [OSTI]

    Pennycook, Steve

    Structural model for the Al72Ni20Co8 decagonal quasicrystals Yanfa Yan National Renewable Energy, Oak Ridge, Tennessee 37831 Received 15 February 2000 We propose a structure model for the Al72Ni20Co8 decagonal quasicrystals based on its 2 -inflated Al13Co4 approximant phase: Applying a 105 screw operation

  7. 3D modelling of forest canopy structure for remote sensing simulations in the optical and microwave domains

    E-Print Network [OSTI]

    Jones, Peter JS

    3D modelling of forest canopy structure for remote sensing simulations in the optical and microwave July 2005; received in revised form 4 October 2005; accepted 8 October 2005 Abstract A detailed 3D using detailed 3D models of tree structure including the location and orientation of individual needles

  8. 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.

  9. Analytical modeling and structural response of a stretched-membrane reflective module

    SciTech Connect (OSTI)

    Murphy, L.M.; Sallis, D.V.

    1984-06-01T23:59:59.000Z

    The optical and structural load deformation response behavior of a uniform pressure-loaded stretched-membrane reflective module subject to nonaxisymmetric support constraints is studied in this report. To aid in the understanding of this behavior, an idealized analytical model is developed and implemented and predictions are compared with predictions based on the detailed structural analysis code NASTRAN. Single structural membrane reflector modules are studied in this analysis. In particular, the interaction of the frame-membrane combination and variations in membrane pressure loading and tension are studied in detail. Variations in the resulting lateral shear load on the frame, frame lateral support, and frame twist as a function of distance between the supports are described as are the resulting optical effects. Results indicate the need to consider the coupled deformation problem as the lateral frame deformations are amplified by increasing the membrane tension. The importance of accurately considering the effects of different membrane attachment approaches is also demonstrated.

  10. 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.

  11. Hamiltonian structure of reduced fluid models for plasmas obtained from a kinetic description

    E-Print Network [OSTI]

    Loïc De Guillebon; Cristel Chandre

    2012-04-19T23:59:59.000Z

    We consider the Hamiltonian structure of reduced fluid models obtained from a kinetic description of collisionless plasmas by Vlasov-Maxwell equations. We investigate the possibility of finding Poisson subalgebras associated with fluid models starting from the Vlasov-Maxwell Poisson algebra. In this way, we show that the only possible Poisson subalgebra involves the moments of zeroth and first order of the Vlasov distribution, meaning the fluid density and the fluid velocity. We find that the bracket derived in [Phys. Rev. Lett. 93, 175002 (2004)] which involves moments of order 2 is not a Poisson bracket since it does not satisfy the Jacobi identity.

  12. 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.

  13. 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.

  14. 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...

  15. Anti-optimisation for modelling the vibration of locally nonlinear structures: An exploratory study

    E-Print Network [OSTI]

    Butlin, T.

    2013-07-31T23:59:59.000Z

    of Sound and Vibration 332 (2013) 7099–71227100in the automotive industry [6]; and any structure with a joint will introduce some degree of nonlinearity at the interface. Such systems present a modelling opportunity: efficient linear methods can still... is denoted M.the pla‘best’ or ‘correct’ for these applications: the intention is to demonstrate the broadness of the approach, and show that usible metrics and constraints can be envisaged for many kinds of locally nonlinear problem. What is important...

  16. Forces due to waves in the presence of currents on a submerged model structure

    E-Print Network [OSTI]

    Shields, David Ray

    1985-01-01T23:59:59.000Z

    OF SCIENCE December 1985 Major Subject: Ocean Engineering FORCES DUE TO WAVES IN THE PRESENCE OF CURRENTS ON A SUBMERGED MODEL STRUCTURE A Thesis by DAVID RAY SHIELDS Approved as to style and content by: Jo n . Her &c (Chairman of Committee) K... Engineering Program of the Civil Engineering Department for the use of its wave tank and instrumentation to perform this research. A much needed 8-channel recorder was provided through the courtesy of the Mechanical Engineering Department. A Texas A...

  17. 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.

  18. Modeling of structure H hydrate equilibria for methane, intermediate hydrocarbon molecules and water systems

    SciTech Connect (OSTI)

    Thomas, M.; Behar, E. [Inst. Francais du Petrole, Rueil-Malmaison (France)

    1996-12-31T23:59:59.000Z

    Clathrate hydrates are inclusion compounds in which guest molecules are engaged by water molecules under favorable conditions of pressure and temperature. The well known structures 1 and 2 have been discovered since last century, while a new structure called H has been recently described in the literature. Since that time, structure H hydrate equilibrium data involving methane and different intermediate liquid hydrocarbon molecules have been published. The equilibrium calculations involving hydrates are based on the fact that the chemical potential of water in the aqueous liquid phase is equal to the one in the hydrate phase. The chemical potential of water in the liquid aqueous phase can be easily described by classical thermodynamic relations, while the chemical potential of water in the hydrates phase is described by the expressions proposed by Van der Walls and Platteeuw derived from an adsorption model based on statistical thermodynamics. The authors present in this paper a set of Kihara potential parameters which enable the calculation of Langmuir constants which characterize the adsorption of some naphthenic and iso-paraffinic intermediate hydrocarbons in the larger cage of structure H hydrates. This work thus allows the computation of structural H hydrate equilibrium conditions for systems made of methane, intermediate hydrocarbon molecules and water.

  19. 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...

  20. 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.

  1. 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...

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Representation of the molecular structure of petroleum resid through characterization and Monte Carlo modeling

    SciTech Connect (OSTI)

    Trauth, D.M.; Stark, S.M.; Petti, T.F.; Neurock, M.; Yasar, M.; Klein, M.T.

    1993-12-31T23:59:59.000Z

    Increased refining of heavy petroleum feedstocks has led to greater interest in the chemical and physical properties of resid. Although resid has been implicated in many processing difficulties, very little detailed structural information is available in the literature. This is mainly due to the molecular complexity and high initial boiling point of the material, which makes traditional analytical methods difficult or impossible to use. To cope with these problems a stochastic molecular level construction model coupled to a global optimization program has been developed. Structural attributes were defined in terms of aromatic and naphthenic rings and alkyl sidechains. The attributes were quantified using probability density functions (pdfs). By stochastically sampling the attributes many times a large number of molecules representative of a resid were constructed. Using initial starting points estimated from the literature, optimal structural attributes were found in an iterative manner by comparing the predicted resid properties with actual experimental measurements. The program yields detailed structural information in the form of probability density functions for the initial resid.

  7. A Home Ignition Assessment Model Applied to Structures in the Wildland-Urban Interface

    SciTech Connect (OSTI)

    Biswas, Kaushik [ORNL; Werth, David [Savannah River National Laboratory, Aiken, SC; Gupta, Narendra [Savannah River National Laboratory, Aiken, SC

    2013-01-01T23:59:59.000Z

    The issue of exterior fire threat to buildings, from either wildfires in the wildland-urban interface or neighboring structure fires, is critically important. To address this, theWildfire Ignition Resistant Home Design (WIRHD) program was initiated. The WIRHD program developed a tool, theWildFIREWizard, that will allow homeowners to estimate the external fire threat to their homes based on specific features and characteristics of the homes and yards. The software then makes recommendations to reduce the threat. The inputs include the structural and material features of the home and information about any ignition sources or flammable objects in its immediate vicinity, known as the home ignition zone. The tool comprises an ignition assessment model that performs explicit calculations of the radiant and convective heating of the building envelope from the potential ignition sources. This article describes a series of material ignition and flammability tests that were performed to calibrate and/or validate the ignition assessment model. The tests involved exposing test walls with different external siding types to radiant heating and/or direct flame contact.The responses of the test walls were used to determine the conditions leading to melting, ignition, or any other mode of failure of the walls. Temperature data were used to verify the model predictions of temperature rises and ignition times of the test walls.

  8. Non-equilibrium structure and dynamics in a microscopic model of thin film active gels

    E-Print Network [OSTI]

    D. A. Head; W. J. Briels; G. Gompper

    2014-02-26T23:59:59.000Z

    In the presence of ATP, molecular motors generate active force dipoles that drive suspensions of protein filaments far from thermodynamic equilibrium, leading to exotic dynamics and pattern formation. Microscopic modelling can help to quantify the relationship between individual motors plus filaments to organisation and dynamics on molecular and supra-molecular length scales. Here we present results of extensive numerical simulations of active gels where the motors and filaments are confined between two infinite parallel plates. Thermal fluctuations and excluded-volume interactions between filaments are included. A systematic variation of rates for motor motion, attachment and detachment, including a differential detachment rate from filament ends, reveals a range of non-equilibrium behaviour. Strong motor binding produces structured filament aggregates that we refer to as asters, bundles or layers, whose stability depends on motor speed and differential end-detachment. The gross features of the dependence of the observed structures on the motor rate and the filament concentration can be captured by a simple one-filament model. Loosely bound aggregates exhibit super-diffusive mass transport, where filament translocation scales with lag time with non-unique exponents that depend on motor kinetics. An empirical data collapse of filament speed as a function of motor speed and end-detachment is found, suggesting a dimensional reduction of the relevant parameter space. We conclude by discussing the perspectives of microscopic modelling in the field of active gels.

  9. 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.

  10. Durability-Based Design Guide for an Automotive Structural Composite: Part 2. Background Data and Models

    SciTech Connect (OSTI)

    Corum, J.M. [ORNL; Battiste, R.L. [ORNL; Brinkman, C.R. [ORNL; Ren, W. [ORNL; Ruggles, M.B. [ORNL; Weitsman, Y.J. [ORNL; Yahr, G.T. [ORNL

    1998-02-01T23:59:59.000Z

    This background report is a companion to the document entitled ''Durability-Based Design Criteria for an Automotive Structural Composite: Part 1. Design Rules'' (ORNL-6930). The rules and the supporting material characterization and modeling efforts described here are the result of a U.S. Department of Energy Advanced Automotive Materials project entitled ''Durability of Lightweight Composite Structures.'' The overall goal of the project is to develop experimentally based, durability-driven design guidelines for automotive structural composites. The project is closely coordinated with the Automotive Composites Consortium (ACC). The initial reference material addressed by the rules and this background report was chosen and supplied by ACC. The material is a structural reaction injection-molded isocyanurate (urethane), reinforced with continuous-strand, swirl-mat, E-glass fibers. This report consists of 16 position papers, each summarizing the observations and results of a key area of investigation carried out to provide the basis for the durability-based design guide. The durability issues addressed include the effects of cyclic and sustained loadings, temperature, automotive fluids, vibrations, and low-energy impacts (e.g., tool drops and roadway kickups) on deformation, strength, and stiffness. The position papers cover these durability issues. Topics include (1) tensile, compressive, shear, and flexural properties; (2) creep and creep rupture; (3) cyclic fatigue; (4) the effects of temperature, environment, and prior loadings; (5) a multiaxial strength criterion; (6) impact damage and damage tolerance design; (7) stress concentrations; (8) a damage-based predictive model for time-dependent deformations; (9) confirmatory subscale component tests; and (10) damage development and growth observations.

  11. The fixed structurally robust internal model principle for linear multivariable regulators

    E-Print Network [OSTI]

    McGrath, John Thomas

    2012-06-07T23:59:59.000Z

    )]~ = 0 where all the poles must be within C . The property described by (6) is defined as loop stability, Note that loop s . ability does not guarantee internal stability since un'table canoelle, t'ion may occur in the ce. . cede of T(s, 0, )F(s). W(s... for the degree of I'V. STER OF S"IENCE Vay 1980 Va jor Sub jec ~: Elec+r ical Engineering THE FIXED STRUCTURALLY ROBUST INTERNAL MODEL PRINCIPLE FOR LINEAR MULTIVARIABLE REGUIATORS A Thesis by JOHN THOMAS MCGRATH Aoproved as to style and content by...

  12. Do homes that are more energy efficient consume less energy?: A structural equation model for England's residential sector

    E-Print Network [OSTI]

    Kelly, Scott

    Energy consumption from the residential sector is a complex sociotechnical problem that can be explained using a combination of physical, demographic and behavioural characteristics of a dwelling and its occupants. A structural equation model (SEM...

  13. 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.

  14. 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

  15. Groundwater recharge estimates using a soil-water-balance model for the Powder River and Williston structural basins

    E-Print Network [OSTI]

    Torgersen, Christian

    Groundwater recharge estimates using a soil-water-balance model for the Powder River and Williston for the lower Tertiary and Upper Cretaceous aquifer system in the Powder River and Williston structural basins in the Williston structural basin will require trillions of gallons of water from this aquifer system over the next

  16. Electronic Structure Description of the Cis-MoOS Unit in Models for Molybdenum Hydroxylases

    SciTech Connect (OSTI)

    Doonan, C.J.; Rubie, N.D.; Peariso, K.; Harris, H.H.; Knottenbelt, S.Z.; George, G.N.; Young, C.G.; Kirk, M.L.; /New Mexico U. /Melbourne U. /SLAC, SSRL

    2009-04-29T23:59:59.000Z

    The molybdenum hydroxylases catalyze the oxidation of numerous aromatic heterocycles and simple organics and, unlike other hydroxylases, utilize water as the source of oxygen incorporated into the product. The electronic structures of the cis-MoOS units in CoCp{sub 2}[Tp{sup iPr}Mo{sup V}OS(OPh)] and Tp{sup iPr}Mo{sup VI}OS(OPh) (Tp{sup iPr} = hydrotris(3-isopropylpyrazol-1-yl)borate), new models for molybdenum hydroxylases, have been studied in detail using S K-edge X-ray absorption spectroscopy, vibrational spectroscopy, and detailed bonding calculations. The results show a highly delocalized Mo {double_bond} S {pi}* LUMO redox orbital that is formally Mo(d{sub xy}) with {approx}35% sulfido ligand character. Vibrational spectroscopy has been used to quantitate Mo-S{sub sulfido} bond order changes in the cis-MoOS units as a function of redox state. Results support a redox active molecular orbital that has a profound influence on MoOS bonding through changes to the relative electro/nucleophilicity of the terminal sulfido ligand accompanying oxidation state changes. The bonding description for these model cis-MoOS systems supports enzyme mechanisms that are under orbital control and dominantly influenced by the unique electronic structure of the cis-MoOS site. The electronic structure of the oxidized enzyme site is postulated to play a role in polarizing a substrate carbon center for nucleophilic attack by metal activated water and acting as an electron sink in the two-electron oxidation of substrates.

  17. 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.

  18. Structure of the particle-hole amplitudes in no-core shell model wave functions

    SciTech Connect (OSTI)

    Hayes, A. C. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Kwiatkowski, A. A. [National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, Michigan 48824 (United States)

    2010-05-15T23:59:59.000Z

    We study the structure of the no-core shell model wave functions for {sup 6}Li and {sup 12}C by investigating the ground state and first excited state electron scattering charge form factors. In both nuclei, large particle-hole (ph) amplitudes in the wave functions appear with the opposite sign to that needed to reproduce the shape of the (e,e{sup '}) form factors, the charge radii, and the B(E2) values for the lowest two states. The difference in sign appears to arise mainly from the monopole DELTA(Planck constant/2pi)omega=2 matrix elements of the kinetic and potential energy (T+V) that transform under the harmonic oscillator SU(3) symmetries as (lambda,mu)=(2,0). These are difficult to determine self-consistently, but they have a strong effect on the structure of the low-lying states and on the giant monopole and quadrupole resonances. The Lee-Suzuki transformation, used to account for the restricted nature of the space in terms of an effective interaction, introduces large higher-order DELTA(Planck constant/2pi)omega=n,n>2, ph amplitudes in the wave functions. The latter ph excitations aggravate the disagreement between the experimental and predicted (e,e{sup '}) form factors with increasing model spaces, especially at high momentum transfers. For sufficiently large model spaces, the situation begins to resolve itself for {sup 6}Li, but the convergence is slow. A prescription to constrain the ph excitations would likely accelerate convergence of the calculations.

  19. Neutron and X-ray diffraction and empirical potential structure refinement modelling of magnesium stabilised amorphous calcium

    E-Print Network [OSTI]

    Benning, Liane G.

    Neutron and X-ray diffraction and empirical potential structure refinement modelling of magnesium online xxxx Keywords: Amorphous calcium carbonate; EPSR modelling; Neutron diffraction; X-ray diffraction Amorphous calcium carbonate (ACC) plays a key role in biomineralisation processes in sea organisms. Neutron

  20. 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

  1. 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.

  2. 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$.

  3. 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 $0<\\textit{x}<1$. Our analysis 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.

  4. 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...

  5. 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.

    of water in different states, e.g., bulk water, water clusters, aqueous solutions of ions or organicThe 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

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. BNL PREDICTION OF NUPECS FIELD MODEL TESTS OF NPP STRUCTURES SUBJECT TO SMALL TO MODERATE MAGNITUDE EARTHQUAKES.

    SciTech Connect (OSTI)

    XU,J.; COSTANTINO,C.; HOFMAYER,C.; MURPHY,A.; KITADA,Y.

    2003-08-17T23:59:59.000Z

    As part of a verification test program for seismic analysis codes for NPP structures, the Nuclear Power Engineering Corporation (NUPEC) of Japan has conducted a series of field model test programs to ensure the adequacy of methodologies employed for seismic analyses of NPP structures. A collaborative program between the United States and Japan was developed to study seismic issues related to NPP applications. The US Nuclear Regulatory Commission (NRC) and its contractor, Brookhaven National Laboratory (BNL), are participating in this program to apply common analysis procedures to predict both free field and soil-structure Interaction (SSI) responses to recorded earthquake events, including embedment and dynamic cross interaction (DCI) effects. This paper describes the BNL effort to predict seismic responses of the large-scale realistic model structures for reactor and turbine buildings at the NUPEC test facility in northern Japan. The NUPEC test program has collected a large amount of recorded earthquake response data (both free-field and in-structure) from these test model structures. The BNL free-field analyses were performed with the CARES program while the SSI analyses were preformed using the SASS12000 computer code. The BNL analysis includes both embedded and excavated conditions, as well as the DCI effect, The BNL analysis results and their comparisons to the NUPEC recorded responses are presented in the paper.

  14. Abstract -This paper presents a methodology and a tool for the coupled magnetic-structural with semi-analytical models. For this

    E-Print Network [OSTI]

    Boyer, Edmond

    Abstract - This paper presents a methodology and a tool for the coupled magnetic-structural with semi-analytical models. For this coupling, the magnetic model is available; we developed the structural MODEL Magnetic fields radiated by permanent magnets and conductors are computed through Coulombian

  15. 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.

  16. 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.

  17. 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

  18. 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

    Since its birth, the study of protein structures has made progress with leaps and bounds. However, owing to the expenses and difficulties involved, the number of protein structures has not been able to catch up with the ...

  19. 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.

  20. 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

    Paper No. 2004-mfb-03 Kelly Page: 1 of 4 Tensile Loading of Model Caisson Foundations for Structures on Sand R.B. Kelly, B.W. Byrne, G.T. Houlsby and C.M. Martin Department of Engineering) (see Byrne et al, 2002; Byrne et al, 2003; Kelly et al, 2003). This paper concentrates on the tensile

  1. Multidiscipline Modeling in Materials and Structures Emerald Article: A study of the blast-induced brain white-matter damage

    E-Print Network [OSTI]

    Grujicic, Mica

    Multidiscipline Modeling in Materials and Structures Emerald Article: A study of the blast, (2012),"A study of the blast-induced brain white-matter damage and the associated diffuse axonal injury Abstract Purpose ­ Blast-induced traumatic brain injury (TBI) is a signature injury of the current military

  2. A model study of the impact of magnetic field structure on atmospheric composition during solar proton events

    E-Print Network [OSTI]

    Steinhoff, Heinz-Jürgen

    A model study of the impact of magnetic field structure on atmospheric composition during solar is possible into regions that are at the moment effectively shielded by the Earth's magnetic field. A two (process, timescale, magnetostratigraphy); 1650 Global Change: Solar variability; 2716 Magnetospheric

  3. Ethanol plant investment in Canada: A structural model1 C.-Y. Cynthia Lin and Fujin Yi

    E-Print Network [OSTI]

    Lin, C.-Y. Cynthia

    1 Ethanol plant investment in Canada: A structural model1 C.-Y. Cynthia Lin and Fujin Yi Most of the fuel ethanol plants in Canada were built recently and either use corn or wheat as feedstock. It is important to determine what factors affect decisions about when and where to invest in building new ethanol

  4. 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 ...

  5. 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.

  6. Causal Gene Network Inference from Genetical Genomics Experiments via Structural Equation Modeling.

    E-Print Network [OSTI]

    Liu, Bing

    2006-01-01T23:59:59.000Z

    ??The goal of this research is to construct causal gene networks for genetical genomics experiments using expression Quantitative Trait Loci (eQTL) mapping and Structural Equation… (more)

  7. Final Progress Report: FRACTURE AND SUBCRITICAL DEBONDING IN THIN LAYERED STRUCTURES: EXPERIMENTS AND MULTI-SCALE MODELING

    SciTech Connect (OSTI)

    Reinhold H. Dauskardt

    2005-08-30T23:59:59.000Z

    Final technical report detailing unique experimental and multi-scale computational modeling capabilities developed to study fracture and subcritical cracking in thin-film structures. Our program to date at Stanford has studied the mechanisms of fracture and fatigue crack-growth in structural ceramics at high temperature, bulk and thin-film glasses in selected moist environments where we demonstrated the presence of a true mechanical fatigue effect in some glass compositions. We also reported on the effects of complex environments and fatigue loading on subcritical cracking that effects the reliability of MEMS and other micro-devices using novel micro-machined silicon specimens and nanomaterial layers.

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

    E-Print Network [OSTI]

    Giurgiutiu, Victor

    conducted to re-create a membrane using phospholipids and transport proteins extracted from plants [10 a phospholipid bilayer with embedded active transport proteins, which move the water from the low pressure fluid structures; induced strain actuation; active materials; smart structures; biotransport; ion pumps; ATP, SUT-4

  9. 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

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

    E-Print Network [OSTI]

    Boyer, Edmond

    , tripod, strain, damage detection INTRODUCTION Future wind energy farms will be built in deeper locations relatively short history. There are different definitions of support structure for wind turbine strain can be valuable indicator of such changes. KEYWORDS : offshore support structure, wind turbine

  11. The Role of Structure in the Protein Dynamical Transition

    E-Print Network [OSTI]

    He, Yunfen

    2008-01-01T23:59:59.000Z

    The protein dynamical transition is investigated as a function of protein structure using terahertz time domain spectroscopy (THz-TDS). Measurements performed for native state and denatured hen egg white lysozyme (HEWL) show that protein structure is not necessary for the dynamical transition. We find the temperature dependence follows activated behavior and there is no evidence of a fragile to strong transition. Measurements of short chain poly alanine show a dynamical transition down to penta-alanine, however no transition is observed for di-alanine or tri-alanine. These measurements demonstrate that the temperature dependence arises strictly from the interaction of the side chains with the solvent. The lack of a transition for shorter chain polypeptides may indicate the temperature dependence arises from a net ordering of the adjacent water which scales with the length of the polypeptide chain.

  12. 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.

  13. 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_\

  14. 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...

  15. 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 ...

  16. 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...

  17. 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

  18. A Chiral Schwinger model, its Constraint Structure and Applications to its Quantization

    E-Print Network [OSTI]

    Paul Bracken

    2007-10-12T23:59:59.000Z

    The Jackiw-Rajaraman version of the chiral Schwinger model is studied as a function of the renormalization parameter. The constraints are obtained and they are used to carry out canonical quantization of the model by means of Dirac brackets. By introducing an additional scalar field, it is shown that the model can be made gauge invariant. The gauge invariant model is quantized by establishing a pair of gauge fixing constraints in order that the method of Dirac can be used.

  19. 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.

  20. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administrationcontroller systemsBiSiteNeutronStrategicOurStructureSurvivor Structure ofStructure

  1. Experimental investigation and constitutive modeling of metallic honeycombs in sandwich structures

    E-Print Network [OSTI]

    Mohr, Dirk, 1976-

    2003-01-01T23:59:59.000Z

    Traditionally, honeycomb sandwich structures are designed in the elastic range, but recent studies on the crushing of sandwich profiles have shown their potential in crashworthiness applications. Thin sandwich sheets also ...

  2. GWIDD: a comprehensive resource for genome-wide structural modeling of protein-protein interactions

    E-Print Network [OSTI]

    Kundrotas, Petras J.; Zhu, Zhengwei; Vakser, Ilya A.

    2012-07-11T23:59:59.000Z

    Protein-protein interactions are a key component of life processes. The knowledge of the three-dimensional structure of these interactions is important for understanding protein function. Genome-Wide Docking Database ...

  3. 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 ...

  4. 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 ...

  5. 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...

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

    E-Print Network [OSTI]

    Joshi, Praveen Sudhakar

    2012-06-07T23:59:59.000Z

    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...

  7. 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 ...

  8. 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.

  9. Topological Equivalence of a Structure-Preserving Power Network Model and a Non-Uniform Kuramoto Model of Coupled Oscillators

    E-Print Network [OSTI]

    Bullo, Francesco

    Model of Coupled Oscillators Florian D¨orfler and Francesco Bullo Abstract-- We study synchronization IIS-0904501 and CNS- 0834446. Florian D¨orfler and Francesco Bullo are with the Center for Control, {dorfler, bullo}@engineering.ucsb.edu on the reduced network can then be related to the original network

  10. 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

    satisfies the necessary boundary conditions is sought. Once it 1s found, the dynam1c pressure distribution is determined from the linearized Bernouili equation. The forces are obtained by 1ntegrating the pressure d1stribut1on over the surface... significant linear dimension equal to the height of the model squared divided by the length of the model in the direction of wave propagation for all models except the flat plate height of model for flat plate water depth 10 H = wave height v...

  11. 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.

  12. 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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administrationcontroller systemsBiSiteNeutronStrategicOurStructureSurvivor Structure

  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. LIKELIHOOD RATIO TESTS FOR THE STRUCTURAL CHANGE OF AN AR(P) MODEL TO A THRESHOLD

    E-Print Network [OSTI]

    Ling, Shiqing

    or econo- metric model is stable to some possible events, such as the great depres- sion/expansion, oil price shocks and abrupt policy intervention. Due to the well need for model stability, a lot) and Quandt (1960). For the history and more early results, we refer to Horv´ath (1993, 1995) and Cs

  16. 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...

  17. Computational methods for constructing protein structure models from 3D electron microscopy maps

    E-Print Network [OSTI]

    Kihara, Daisuke

    into a low-res- olution EM map. A list of available computational tools is also provided. Ã? 2013 Elsevier Inc, Purdue University, West Lafayette, IN 47907, USA b Department of Biological Sciences, College of Science, Purdue University, West Lafayette, IN 47907, USA c Markey Center for Structural Biology, College

  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. 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.

  20. 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...

  1. 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

  2. Preliminary Functional-Structural Modeling on Poplar (Salicaceae) Dongxiang Liu1

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    . It is cultivated in plantations not only for paper, wood products and energy, but also for soil erosion control [1 of poplar at growing season [6]. These models are helpful to understand crop production and management

  3. 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...

  4. 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.

  5. 3D Field-Scale Reactive Transport Modeling of In Situ Immobilization of Uranium in Structured Porous Media via Biostimulation

    SciTech Connect (OSTI)

    Fang, Yilin; Scheibe, Timothy D.; Roden, Eirc E.; Kamolpornwijit, Wiwat; Brooks, Scott C.

    2006-09-12T23:59:59.000Z

    A several-month-long ethanol injection experiment is being conducted to study the impacts of porous media structure (i.e., heterogeneity existing at multiple scales) on the effectiveness of metal/radionuclide bioremediation in a highly heterogeneous unconfined aquifer near Oak Ridge, TN, USA. We have constructed a 3D field-scale groundwater flow and multicomponent reactive transport model to simulate the experimental observations. The model incorporates a suite of abiotic reactions and microbially-mediated redox reactions for multiple terminal electron accepting processes (TEAPs) including soluble oxygen, nitrate, U(VI) and sulfate and solid-phase electron acceptors. Different biomass populations are considered in the model. Growth of these populations is derived from the bioenergetics-based approach in which the partitioning of electron flow between energy generation and cell biomass production is dependent on the free energy of the corresponding TEAP. TEAP reaction rates were free energy constrained. The TEAP model and reaction system have been formulated and used to simulate laboratory batch experimental observations. We conducted the field-scale simulation starting with the reaction system and parameters obtained from the batch experiment and hydrologic parameters estimated from the results of pumping tests, water level monitoring and model interpretation of a tracer test conducted in August 2004. Reaction parameters were investigated to compare simulation results and field experiment observations.

  6. 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.

  7. 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...

  8. 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.

  9. 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.

  10. 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

  11. 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.

  12. 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.

  13. Simplified Risk Model Version II (SRM-II) Structure and Application

    SciTech Connect (OSTI)

    S. A. Eide; T. E. Wierman

    1999-08-01T23:59:59.000Z

    The Simplified Risk Model Version II (SRM-II) is a quantitative tool for efficiently evaluating the risk from Department of Energy waste management activities. Risks evaluated include human safety and health and environmental impact. Both accidents and normal, incident-free operation are considered. The risk models are simplifications of more detailed risk analyses, such as those found in environmental impact statements, safety analysis reports, and performance assessments. However, wherever possible, conservatisms in such models have been removed to obtain best estimate results. The SRM-II is used to support DOE complex-wide environmental management integration studies. Typically such studies involve risk predictions covering the entire waste management program, including such activities as initial storage, handling, treatment, interim storage, transportation, and final disposal.

  14. Simplified Risk Model Version II (SRM-II) Structure and Application

    SciTech Connect (OSTI)

    Eide, Steven Arvid; Wierman, Thomas Edward

    1999-08-01T23:59:59.000Z

    The Simplified Risk Model Version II (SRM-II) is a quantitative tool for efficiently evaluating the risk from Department of Energy waste management activities. Risks evaluated include human safety and health and environmental impact. Both accidents and normal, incident-free operation are considered. The risk models are simplifications of more detailed risk analyses, such as those found in environmental impact statements, safety analysis reports, and performance assessments. However, wherever possible, conservatisms in such models have been removed to obtain best estimate results. The SRM-II is used to support DOE complex-wide environmental management integration studies. Typically such activities involve risk predictions including such activities as initial storage, handling, treatment, interim storage, transportation, and final disposal.

  15. 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. ...

  16. 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

    to simulate CSEM experiments. The objective of the present study is to model the changes in electromagnetic response for a resistive disk and a more geometrically complex structure, which are rough approximations of hydrocarbon reservoirs. The parameters...

  17. Hubble expansion and structure formation in the "running FLRW model" of the cosmic evolution

    E-Print Network [OSTI]

    Javier Grande; Joan Sola; Spyros Basilakos; Manolis Plionis

    2011-08-07T23:59:59.000Z

    A new class of FLRW cosmological models with time-evolving fundamental parameters should emerge naturally from a description of the expansion of the universe based on the first principles of quantum field theory and string theory. Within this general paradigm, one expects that both the gravitational Newton's coupling, G, and the cosmological term, Lambda, should not be strictly constant but appear rather as smooth functions of the Hubble rate. This scenario ("running FLRW model") predicts, in a natural way, the existence of dynamical dark energy without invoking the participation of extraneous scalar fields. In this paper, we perform a detailed study of these models in the light of the latest cosmological data, which serves to illustrate the phenomenological viability of the new dark energy paradigm as a serious alternative to the traditional scalar field approaches. By performing a joint likelihood analysis of the recent SNIa data, the CMB shift parameter, and the BAOs traced by the Sloan Digital Sky Survey, we put tight constraints on the main cosmological parameters. Furthermore, we derive the theoretically predicted dark-matter halo mass function and the corresponding redshift distribution of cluster-size halos for the "running" models studied. Despite the fact that these models closely reproduce the standard LCDM Hubble expansion, their normalization of the perturbation's power-spectrum varies, imposing, in many cases, a significantly different cluster-size halo redshift distribution. This fact indicates that it should be relatively easy to distinguish between the "running" models and the LCDM cosmology using realistic future X-ray and Sunyaev-Zeldovich cluster surveys.

  18. 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...

  19. A Structure-Preserving Model and Sufficient Condition for Frequency Synchronization of Lossless Droop Inverter-Based AC Networks

    SciTech Connect (OSTI)

    Ainsworth, Nathan G [ORNL] [ORNL; Grijalva, Prof. Santiago [Georgia Institute of Technology, Atlanta] [Georgia Institute of Technology, Atlanta

    2013-01-01T23:59:59.000Z

    This paper presents a new method for analysis of frequency synchronization of lossless power networks whose sources are frequency-droop controlled inverters. Unlike most existing approaches, our method focuses on the interaction between inverters and the network to provide new physical insight into how those interactions create frequency synchronization. We introduce two structure-preserving models of such a network (one bus-oriented and one line-oriented), and show that frequency synchronization corresponds to convergence to an equilibrium of these models. We derive a necessary condition for existence of such equilibria, and determine a simple test for their local stability. Finally, we introduce a sufficient condition for frequency synchronization of such networks, and show that it consists of a set of local criteria which can each be determined from local measurements.

  20. 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...

  1. A model for correlating properties with molecular structure and its application to fuel/hydrocarbon processing

    SciTech Connect (OSTI)

    Devineni, A.V.P.

    1989-01-01T23:59:59.000Z

    Structural indices such as n (carbon number), z (hydrogen deficiency C{sub n}H{sub 2n+z}) and i (isomeric deviation from the normal compound) are defined to characterize the molecular structure in an unambiguous manner. The parameters are defined in a manner that results in complete orthogonality, one with any of the others. Classification of hydrocarbon compounds into z series yields a systematic change of property with molecular weight in a mathematically definable fashion. For pure compounds, molecular weight as a function of n and z is correlated with properties using regression techniques. Boiling point, density, freezing point, gravimetric and volumetric heat of combustion, heat of vaporization, heat capacity and viscosity were correlated for the z series of paraffins (2), cycloparaffins (0), alkyldecalins(-2), alkylbenzenes(-6), alkyltetralins(-8), and alkylnaphthalenes(-12). The equation form: P{sub z} = (a{sub z}m + b{sub z})/(m + c{sub z}) was found to fit well for all n and z values correlated. Isomeric structural effects may be expressed through an i parameter that quantifies the effects of methyl substituents, adjacency of bonds and symmetry of the molecule. Properties such as boiling point can be related to this parameter. Equations have been derived for properties of mixtures from pure compound data. A computer program for optimizing the composition of various components of fuel has been developed. Consideration has been given to the historic problem of accurate molecular weight measurements of mixtures. A procedure for calculating true molecular weights based on quantification of the thermodynamics of the associated state has been devised. Results suggest that conventional methods based on VPO may be highly erroneous.

  2. Spherically symmeteric dark energy structure in the context of Chaplygin gas model

    E-Print Network [OSTI]

    Abiy G. Tekola

    2007-06-06T23:59:59.000Z

    Spherically symmetric dark energy structures are investigated in the framework of a generalized Chaplygin gas (GCG), which has an equation of state of the form $P = - A/\\rho^{\\alpha}} $. We also study these in a modified GCG equation of state, which includes a matter term, i.e. $P = \\sigma^{2} \\rho - A/\\rho^{\\alpha}$. The results of the latter are then compared with some observational data on low-surface-brightness galaxies which are supposed to be dominated by dark matter.

  3. 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

  4. 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

  5. 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

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

    E-Print Network [OSTI]

    Wieringa, Roel

    functions previously handled purely mechanical. In addition hybrid and pure electrical cars are emerging are hybrid and electrical cars. The automotive semiconductor elec- tronics market amounted to 19.5 billion for the development of dependable analogue/mixed-signal car front-ends, by interfacing aging models between different

  7. 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

  8. Modal modeling of the fluid-structure interaction associated with sloshing in a tapered conical tank

    E-Print Network [OSTI]

    tank I. Gavrilyuk1, M. Hermann2, I. Lukovsky3, O. Solodun3, A. Timokha3 1University of Cooperative conical tank, we derive a multimodal model describing the forced liquid motions and associated tower with a conical elevated tank. c Gavrilyuk, Hermann, Lukovsky, Solodun, Timokha key words: Sloshing

  9. 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

  10. 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.

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

    E-Print Network [OSTI]

    Srinivasan, Palanivel Rajan

    2000-01-01T23:59:59.000Z

    Analysis of Results. . . . . . . Consistency of Results. 38 53 V FREQUENCY ANALYSIS. 54 Frequency Content of Base Excitation and Response. . . Eigen-Analysis of the FEM Results. Results From Using a Kgher Stiffness. , . . . 54 . 66 . 68 VI.... . . 29 3. 2 Table of Models and their Properties. . . 4. 1 Recommended Values of Young's Modulus (E) in N/m2. . . . . . . . . . . . . . . . . . . . . . . 5. 1 Dominant and Average Frequencies in Hertz for Each of the Parts of Each 45 of the Time...

  12. THE SPECIFIC ACCELERATION RATE IN LOOP-STRUCTURED SOLAR FLARES-IMPLICATIONS FOR ELECTRON ACCELERATION MODELS

    SciTech Connect (OSTI)

    Guo, Jingnan [Institut fuer Experimentelle und Angewandte Physik, Christian-Albrechts-Universitaet zu Kiel, D-24118, Kiel (Germany)] [Institut fuer Experimentelle und Angewandte Physik, Christian-Albrechts-Universitaet zu Kiel, D-24118, Kiel (Germany); Emslie, A. Gordon [Department of Physics and Astronomy, Western Kentucky University, Bowling Green, KY 42101 (United States)] [Department of Physics and Astronomy, Western Kentucky University, Bowling Green, KY 42101 (United States); Piana, Michele, E-mail: guo@physik-uni.kiel.de, E-mail: piana@dima.unige.it, E-mail: emslieg@wku.edu [Dipartimento di Matematica, Universita di Genova, via Dodecaneso 35, I-16146 Genova (Italy)] [Dipartimento di Matematica, Universita di Genova, via Dodecaneso 35, I-16146 Genova (Italy)

    2013-03-20T23:59:59.000Z

    We analyze electron flux maps based on RHESSI hard X-ray imaging spectroscopy data for a number of extended coronal-loop flare events. For each event, we determine the variation of the characteristic loop length L with electron energy E, and we fit this observed behavior with models that incorporate an extended acceleration region and an exterior 'propagation' region, and which may include collisional modification of the accelerated electron spectrum inside the acceleration region. The models are characterized by two parameters: the plasma density n in, and the longitudinal extent L{sub 0} of, the acceleration region. Determination of the best-fit values of these parameters permits inference of the volume that encompasses the acceleration region and of the total number of particles within it. It is then straightforward to compute values for the emission filling factor and for the specific acceleration rate (electrons s{sup -1} per ambient electron above a chosen reference energy). For the 24 events studied, the range of inferred filling factors is consistent with a value of unity. The inferred mean value of the specific acceleration rate above E{sub 0} = 20 keV is {approx}10{sup -2} s{sup -1}, with a 1{sigma} spread of about a half-order-of-magnitude above and below this value. We compare these values with the predictions of several models, including acceleration by large-scale, weak (sub-Dreicer) fields, by strong (super-Dreicer) electric fields in a reconnecting current sheet, and by stochastic acceleration processes.

  13. A quantitative conduction model for a low-resistance nonalloyed ohmic contact structure utilizing low-temperature-grown GaAs

    E-Print Network [OSTI]

    Woodall, Jerry M.

    A quantitative conduction model for a low-resistance nonalloyed ohmic contact structure utilizing properties of this material. The specific contact resistance is then calculated using an analytic expression for tunneling conduction through an equivalent uniformly doped Schottky barrier. The model has been used to fit

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. The structure and properties of a simple model mixture of amphiphilic molecules and ions at a solid surface

    SciTech Connect (OSTI)

    Pizio, O., E-mail: pizio@unam.mx [Instituto de Química, Universidad Nacional Autonoma de México, Circuito Exterior, Ciudad Universitaria, 04510 México, D.F. (Mexico); Soko?owski, S., E-mail: stefan.sokolowski@gmail.com [Department for the Modeling of Physico-Chemical Processes, Maria Curie-Sk?odowska University, 20-031 Lublin (Poland); Soko?owska, Z. [Institute of Agrophysics, Polish Academy of Sciences, Do?wiadczalna 4, 20-290 Lublin (Poland)] [Institute of Agrophysics, Polish Academy of Sciences, Do?wiadczalna 4, 20-290 Lublin (Poland)

    2014-05-07T23:59:59.000Z

    We investigate microscopic structure, adsorption, and electric properties of a mixture that consists of amphiphilic molecules and charged hard spheres in contact with uncharged or charged solid surfaces. The amphiphilic molecules are modeled as spheres composed of attractive and repulsive parts. The electrolyte component of the mixture is considered in the framework of the restricted primitive model (RPM). The system is studied using a density functional theory that combines fundamental measure theory for hard sphere mixtures, weighted density approach for inhomogeneous charged hard spheres, and a mean-field approximation to describe anisotropic interactions. Our principal focus is in exploring the effects brought by the presence of ions on the distribution of amphiphilic particles at the wall, as well as the effects of amphiphilic molecules on the electric double layer formed at solid surface. In particular, we have found that under certain thermodynamic conditions a long-range translational and orientational order can develop. The presence of amphiphiles produces changes of the shape of the differential capacitance from symmetric or non-symmetric bell-like to camel-like. Moreover, for some systems the value of the potential of the zero charge is non-zero, in contrast to the RPM at a charged surface.

  3. Motivations Modeling Social Structure

    E-Print Network [OSTI]

    Zollman, Kevin

    methodological pluralism (Hull, Page, Sarkar, Solomon, Weisberg and Muldoon) Maybe other things can maintain Diversity Other Options Others advocate methodological pluralism (Hull, Page, Sarkar, Solomon, Weisberg Diversity Other Options Others advocate methodological pluralism (Hull, Page, Sarkar, Solomon, Weisberg

  4. 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

  5. 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

  6. 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

  7. 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

  8. A Structural Model for Binding of the Serine-Rich Repeat Adhesin GspB to Host Carbohydrate Receptors

    SciTech Connect (OSTI)

    Pyburn, Tasia M.; Bensing, Barbara A.; Xiong, Yan Q.; Melancon, Bruce J.; Tomasiak, Thomas M.; Ward, Nicholas J.; Yankovskaya, Victoria; Oliver, Kevin M.; Cecchini, Gary; Sulikowski, Gary A.; Tyska, Matthew J.; Sullam, Paul M.; Iverson, T.M. (VA); (UCLA); (Vanderbilt); (UCSF)

    2014-10-02T23:59:59.000Z

    GspB is a serine-rich repeat (SRR) adhesin of Streptococcus gordonii that mediates binding of this organism to human platelets via its interaction with sialyl-T antigen on the receptor GPIb{alpha}. This interaction appears to be a major virulence determinant in the pathogenesis of infective endocarditis. To address the mechanism by which GspB recognizes its carbohydrate ligand, we determined the high-resolution x-ray crystal structure of the GspB binding region (GspB{sub BR}), both alone and in complex with a disaccharide precursor to sialyl-T antigen. Analysis of the GspB{sub BR} structure revealed that it is comprised of three independently folded subdomains or modules: (1) an Ig-fold resembling a CnaA domain from prokaryotic pathogens; (2) a second Ig-fold resembling the binding region of mammalian Siglecs; (3) a subdomain of unique fold. The disaccharide was found to bind in a pocket within the Siglec subdomain, but at a site distinct from that observed in mammalian Siglecs. Confirming the biological relevance of this binding pocket, we produced three isogenic variants of S. gordonii, each containing a single point mutation of a residue lining this binding pocket. These variants have reduced binding to carbohydrates of GPIb{alpha}. Further examination of purified GspB{sub BR}-R484E showed reduced binding to sialyl-T antigen while S. gordonii harboring this mutation did not efficiently bind platelets and showed a significant reduction in virulence, as measured by an animal model of endocarditis. Analysis of other SRR proteins revealed that the predicted binding regions of these adhesins also had a modular organization, with those known to bind carbohydrate receptors having modules homologous to the Siglec and Unique subdomains of GspBBR. This suggests that the binding specificity of the SRR family of adhesins is determined by the type and organization of discrete modules within the binding domains, which may affect the tropism of organisms for different tissues.

  9. Superlattice Structure and Precipitates in O+ and Zr+ Ion Coimplanted SrTiO3: a Model Waste Form for 90Sr

    SciTech Connect (OSTI)

    Jiang, Weilin; Van Ginhoven, Renee M.; Kovarik, Libor; Jaffe, John E.; Arey, Bruce W.

    2012-07-13T23:59:59.000Z

    We investigate strontium titanate as a model waste form for 90Sr. Implantation with O+ and Zr+ ions, followed by annealing at 1423 K, was performed to simulate 90Sr to 90Zr decays. At low Zr concentrations, we observe formation of a ZrO-Sr superlattice structure. Ab initio calculations indicate that this atomic configuration is energetically favorable. At higher Zr concentrations, we observe precipitates of ZrO2 with a coherently strained interface, or a monolayer of disordered interfacial structure. Potential candidacy of 90SrTiO3 as a waste form for permanent disposal of 90Sr is discussed.

  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. MODELS OF THE INTRACLUSTER MEDIUM WITH HEATING AND COOLING: EXPLAINING THE GLOBAL AND STRUCTURAL X-RAY PROPERTIES OF CLUSTERS

    E-Print Network [OSTI]

    Balogh, Michael L.

    cooling or entropy injection (and/or redistribution) plays a central role in mediating the thermal in excess of observationally estab- lished limits. On the other hand, the simplest entropy-injection models consider models that marry radiative cooling with entropy injection, and confront model predictions

  12. A numerical soil-water-balance (SWB) model was used to estimate groundwater recharge in the Williston and Powder River structural basins in the Northern Great Plains.

    E-Print Network [OSTI]

    Torgersen, Christian

    in the Williston and Powder River structural basins in the Northern Great Plains. The SWB model consisted of 1 km2 to 2011. Average calculated recharge in the Williston basin was 0.190 in/yr (1,281 ft3 /sec) and ranged.1 percent of precipitation in the Williston basin. Average recharge in the Powder River basin was 0.136 in

  13. 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

  14. Protein Structure Prediction and Structural Genomics

    E-Print Network [OSTI]

    Batzoglou, Serafim

    sequencing projects are producing linear amino acid sequences, but full understanding of the biological role, building a model, and assessing the model (1). The templates for modeling may be found by sequence folds. Each sequence-structure alignment is as- sessed by the energy of a corresponding coarse model

  15. Long-Term Succession of Structure and Diversity of a Biofilm Formed in a Model Drinking Water Distribution System

    E-Print Network [OSTI]

    Martiny, A. C; Jorgensen, T. M; Albrechtsen, H.-J.; Arvin, E.; Molin, S.

    2003-01-01T23:59:59.000Z

    formation in a model drinking water distribution system. J.and activity in drinking water distribution networks underbacterial species from drinking water biofilms and proof of

  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. Modeling

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

    an implementation of a single-fluid inter- face model in the ALE-AMR code to simulate surface tension effects. The model does not require explicit information on the physical...

  18. Model approach to solving the inverse problem of X-ray reflectometry and its application to the study of the internal structure of hafnium oxide films

    SciTech Connect (OSTI)

    Volkov, Yu. O., E-mail: neko.crys@gmail.com; Kozhevnikov, I. V.; Roshchin, B. S. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)] [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Filatova, E. O. [St. Petersburg State University, Fock Institute of Physics (Russian Federation)] [St. Petersburg State University, Fock Institute of Physics (Russian Federation); Asadchikov, V. E. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)] [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    2013-01-15T23:59:59.000Z

    The key features of the inverse problem of X-ray reflectometry (i.e., the reconstruction of the depth profile of the dielectric constant using an experimental angular dependence of reflectivity) are discussed and essential factors leading to the ambiguity of its solution are analyzed. A simple approach to studying the internal structure of HfO{sub 2} films, which is based on the application of a physically reasonable model, is considered. The principles for constructing a film model and the criteria for choosing a minimal number of fitting parameters are discussed. It is shown that the ambiguity of the solution to the inverse problem is retained even for the simplest single-film models. Approaches allowing one to pick out the most realistic solution from several variants are discussed.

  19. 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.

  20. Quasiparticle band structure and density-functional theory: Single-particle excitations and band gaps in lattice models

    E-Print Network [OSTI]

    Hess, Daryl W.

    ARTICLES Quasiparticle band structure and density-functional theory: Single-particle excitations-particle eigenvalues. Without rigorous basis even for the exact density-functional theory , these are often taken, eigenvalues obtained from density-functional theory DFT , and those from a corresponding LDA. Notable among

  1. Device model for pulsing in silicon p-i-n structures A. G. U. Perera and S. fvlatsik

    E-Print Network [OSTI]

    Perera, A. G. Unil

    and circuit parameters for the spontaneous firing patterns for silicon p-i-n structures at 4.2 K controlled effects associated with nonlinear dynamics in circuits containing silicon p-i-n diodes at 4.2 K under constant driving current. The circuits generate spiketrains and are qualitatively similar to neuron

  2. 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

  3. 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...

  4. Results concerning the use of seismic and well log data for defining the geological model of the productive structures on the Romanian Continental Shelf of the Black Sea

    SciTech Connect (OSTI)

    Babskow, A.; Baleanu, I.; Popa, D. [Institute for Research and Technology, Prahova (Romania)] [and others

    1995-08-01T23:59:59.000Z

    The contribution of the 3D seismics on the East-Lebada Structure of the Romanian Continental Shelf of the Black Sea, together with the complex well logging have led to the improvement of the reservoir geological model. The interpretation has been performed on 3d seismic profiles. Time migrated profiles were interpreted, by means of the program system OASIIS. The acoustic logging data were used for calibration, in order to identify the reflections corresponding to the geological boundary. By means of these reflections on the seismic profiles, the adequate geological model has been defined. A system of tectonic accidents which were not known till now were rendered evident. The interpretation of the complex well loggings, through the Well Log Analysis Program System - Express - allowed to determine the petrophysical-petrographical parameters necessary for reservoir evaluation, in correlation with core analysis. Thus, four horizons corresponding to the Albian age with favorable collector properties were rendered evident, in alternance with unfavorable collector properties zones. The well logs, performed at different time periods and with different tools were corrected and standardized for the well environment conditions and, depending on the logging program, different program modules were used to obtain the most adequate results. The parameter averaging performed by zones, for each well, together with the image furnished by the seismic data, allowed us to build the final geometrical and isoparametric model of the reservoir, used for further reservoir simulation. Based on the results obtained, the analysis was extended to West-Lebada Structure.

  5. 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.

  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. 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.

  8. 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.

  9. 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

  10. 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

  11. Atomic and Electronic Structure of the FeO (111)/MgO(111) Model Polar Oxide

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to someone byDear Friend,Arthur J. NozikAtom ProbeReductionStructure

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

    E-Print Network [OSTI]

    Wirosoetisno, Djoko

    with fine-scale dynamic air-water interfaces need to be modelled efficiently, including their interactions on fast ships. Faster ships have become more important in recent years. These include pilot ships, supply. Improved understanding of ship motion in heavy breaking seas is a key part of the larger project

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

    E-Print Network [OSTI]

    Fleming, Graham R.

    of excitation energy to chemical energy via charge separation. The pigment binding proteins associated with PSII charge separation occurs. Because of the lack of a rate-limiting step, fitting kinetic models to the antenna, or light harvesting, proteins of photosystem II (PSII). The resulting excitation energy

  14. 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.

  15. Modeling

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

    a single-fluid diffuse interface model in the ALE-AMR hydrodynamics code to simulate surface tension effects. We show simula- tions and compare them to other surface tension...

  16. Modeling

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

    sion effects. We show the result of a test case, and compare it to the result without surface tension. The model describes droplet formation nicely. Application The ARRA-funded...

  17. 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

  18. Constraining the structure of the transition disk HD 135344B (SAO 206462) by simultaneous modeling of multi-wavelength gas and dust observations

    E-Print Network [OSTI]

    Carmona, A; Thi, W F; Benisty, M; Ménard, F; Grady, C; Kamp, I; Woitke, P; Olofsson, J; Roberge, A; Brittain, S; Dûchene, G; Meeus, G; Martin-Zaïdi, C; Dent, B; Bouquin, J B Le; Berger, J P

    2014-01-01T23:59:59.000Z

    HD 135344B is an accreting (pre-) transition disk which displays emission of warm CO extending tens of AU inside its 30 AU dust cavity. We employ the dust radiative transfer code MCFOST and the thermo-chemical code ProDiMo to derive the disk structure from the simultaneous modeling of the spectral energy distribution (SED), VLT/CRIRES CO P(10) 4.75 micron, Herschel/PACS [O I] 63 micron, Spitzer-IRS, and JCMT 12CO J=3-2 spectra, VLTI/PIONIER H-band visibilities, and constraints from (sub-)mm continuum interferometry and near-IR imaging. We found a disk model able to describe simultaneously the current observations. This disk has the following structure: (1) to reproduce the SED, the near-IR interferometry data, and the CO ro-vibrational emission, refractory grains (we suggest carbon) are present inside the silicate sublimation radius (0.08 100 to account for the 870 micron continuum upper limit and the CO P(10) line flux; (5) the gas/dust ratio at 30

  19. 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.

  20. 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

    2014-12-18T23:59:59.000Z

    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\

  1. 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\

  2. Modelling

    E-Print Network [OSTI]

    Spädtke, P

    2013-01-01T23:59:59.000Z

    Modeling of technical machines became a standard technique since computer became powerful enough to handle the amount of data relevant to the specific system. Simulation of an existing physical device requires the knowledge of all relevant quantities. Electric fields given by the surrounding boundary as well as magnetic fields caused by coils or permanent magnets have to be known. Internal sources for both fields are sometimes taken into account, such as space charge forces or the internal magnetic field of a moving bunch of charged particles. Used solver routines are briefly described and some bench-marking is shown to estimate necessary computing times for different problems. Different types of charged particle sources will be shown together with a suitable model to describe the physical model. Electron guns are covered as well as different ion sources (volume ion sources, laser ion sources, Penning ion sources, electron resonance ion sources, and H$^-$-sources) together with some remarks on beam transport.

  3. 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...

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: Non-uniqueness of density-derived molecular structure

    SciTech Connect (OSTI)

    Ludena, E. V. [Centro de Quimica, Instituto Venezolano de Investigaciones Cientificas, IVIC, Apartado 21827, Caracas 1020-A (Venezuela, Bolivarian Republic of); Echevarria, L. [Departamento de Quimica, Universidad Simon Bolivar, USB, Sartenejas, Caracas (Venezuela, Bolivarian Republic of); Lopez, X.; Ugalde, J. M. [Kimika Fakultatea, Euskal Herriko Unibertsitatea, Posta Kutxa 1072, 20080 Donostia, Euskadi (Spain)

    2012-02-28T23:59:59.000Z

    We consider the calculation of non-Born-Oppenheimer, nBO, one-particle densities for both electrons and nuclei. We show that the nBO one-particle densities evaluated in terms of translationally invariant coordinates are independent of the wavefunction describing the motion of center of mass of the whole system. We show that they depend, however, on an arbitrary reference point from which the positions of the vectors labeling the particles are determined. We examine the effect that this arbitrary choice has on the topology of the one-particle density by selecting the Hooke-Calogero model of a three-body system for which expressions for the one-particle densities can be readily obtained in analytic form. We extend this analysis to the one-particle densities obtained from full Coulomb interaction wavefunctions for three-body systems. We conclude, in view of the fact that there is a close link between the choice of the reference point and the topology of one-particle densities that the molecular structure inferred from the topology of these densities is not unique. We analyze the behavior of one-particle densities for the Hooke-Calogero Born-Oppenheimer, BO, wavefunction and show that topological transitions are also present in this case for a particular mass value of the light particles even though in the BO regime the nuclear masses are infinite. In this vein, we argue that the change in topology caused by variation of the mass ratio between light and heavy particles does not constitute a true indication in the nBO regime of the emergence of molecular structure.

  9. 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.

  10. Supplementary Information MODELING HIERARCHICALLY STRUCTURED

    E-Print Network [OSTI]

    Lisal, Martin

    cylindrical ( phases, pre confirmed la d spherical ( n associated was predict for DBCP m herical (Scp), ols

  11. 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

  12. 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 (

  13. A conceptual model of the roles of price, quality, and intermediary constructs in determining behavioral intention to visit a festival

    E-Print Network [OSTI]

    Lee, So Yon

    2006-08-16T23:59:59.000Z

    Model 1???????.... 96 The Second Revised Structural Model 1??????? 99 The Final Revised Structural Model 1???????... 102 Initial Structural Model 2????????????... 106 The Revised Structural Model 2??????????. 109... The Initial Structural Model 2?...???????????... 105 FIGURE 12 The Revised Structural Model 2????????????... 108 FIGURE 13 Final Structural Model and Standardized Parameter Estimates of Model 1??????????????.?????.?.. 115 FIGURE 14 Final...

  14. 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.

  15. 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.

  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

    started at kindergarten and continued through first grade in their respective models. Striking similarities were found among the four instructional models that English oral proficiency improved significantly (p < .05) in a linear fashion over two years...

  17. 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

  18. 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...

  19. 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

    . These magnetic properties are mainly attributed to the martensitic structural phase trans- formation these material experience in response to temperature variation. Co-Ni-Al based alloys are one of the most promising ferromagnetic shape memory alloy FSMA that has...

  20. Visible structures

    E-Print Network [OSTI]

    Conway, Helene Marie

    1991-01-01T23:59:59.000Z

    All architecture is the interplay between structure, surface and ornament. Traditionally, ornament adorned structure thereby giving it its meaning. A society with its intellectual foundations resting in faith or the abstract ...

  1. 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

  2. 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...

  3. 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...

  4. 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

  5. What’s in a Likelihood? Simple Models of Protein Evolution and the Contribution of Structurally Viable Reconstructions to the Likelihood

    E-Print Network [OSTI]

    Holder, Mark T.

    2011-01-01T23:59:59.000Z

    Most phylogenetic models of protein evolution assume that sites are independent and identically distributed. Interactions between sites are ignored, and the likelihood can be conveniently calculated as the product of the ...

  6. 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 ...

  7. 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...

  8. Observation of the Early Structural Changes Leading to the Formation of Protein Superstructures

    E-Print Network [OSTI]

    Foderà, Vito; Vetri, Valeria; Wind, Thea S.; Noppe, Wim; Cornett, Claus; Donald, Athene M.; Morozova-Roche, Ludmilla A.; Vestergaard, Bente

    2014-09-03T23:59:59.000Z

    with this idea, a number of hydrophobic residues are present in the exterior of the ?-domains.5 Specifically, Val 112, 2 and 99 (D-helix/loop interface) together with Leu 120, 124 and 129 (A-helix) are candidate for the formation of such hydrophobic... Lysozyme. J. Mol. Biol. 1997, 268, 903-921. (7) Tsuge, H.; Ago, H.; Noma, M.; Nitta, K.; Sugai, S.; Miyano M. Crystallographic Studies of a Calcium Binding Lysozyme From Equine Milk at 2.5 A resolution. J. Biochem. 1992, 111, 141- 143. 16 (8) Blanch, E...

  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. 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

  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 of randomness in the gross wind environment as well as in the extreme response given wind conditions. A detailed

  12. 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 ...

  13. 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.

  14. 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.

  15. 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

  16. Substrate stabilization of lysozyme to thermal and guanidine hydrochloride denaturation

    E-Print Network [OSTI]

    McGrath, Timothy

    2012-06-07T23:59:59.000Z

    . , and Mayer, R ~ J ~ (1976) Biochemic J. 154, 359-370 Schimke, T T. ('1964) J Biol Chem 239, 3808-3817 Goldberg, A. L. and St. John, A. C. (1976) Annu. Rev. Biochem, 45, 748-803 Dice, J ~ F. , Dehlinger, P ~ J ~, and Schimke, R ~ T. (1973) JB Biol Chem... 248, 4220-4228 Dehlinger, P. J ~ and Schimke, R ~ T ~ (1972) J ~ Biol. Chem 246, 2574-2583 Dice, J F. and Goldberg, A L, (1975) Proc. Natl. Acad Scil U ~ ST A. 72, 3893-3897 Bohley, P ~, Kirschke, H, Langner, J ~, Niederanders, 8 ~, Ansorge...

  17. 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

  18. Evaluation of the Effects of Porous Media Structure on Mixing...

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

    Media Structure on Mixing-Controlled Reactions Using Pore-Scale Modeling and Micromodel Abstract: The objectives of this work were to determine if a porescale model could...

  19. Electron emission resulting from fast ion impact on thin metal foils: Implications of these data for development of track structure models

    SciTech Connect (OSTI)

    DuBois, R.D.; Drexler, C.G.

    1993-04-01T23:59:59.000Z

    Experimental information useful in improving and testing theoretical models of energy deposition and redistribution in particle-condensed phase media is discussed. An overview of information available from previous, and ongoing, studies of the electron emission from thin foils is presented and the need for doubly differential electron energy and angular distribution data stressed. Existing data are used to demonstrate that precisely known, and controllable, surface and bulk conditions of the condensed-phase media are required for experimental studies of this type. Work in progress and improvements planned for future studies at the Pacific Northwest Laboratory are outlined.

  20. 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

  1. Structure of pulsar beams: conal versus patchy

    E-Print Network [OSTI]

    J. Kijak; J. Gil

    2002-08-14T23:59:59.000Z

    Structure of mean pulsar radiation patterns is discussed within the nested-cones and patchy beam models. Observational predictions of both these models are analyzed and compared with available data on pulsar waveforms. It is argued that observational properties of pulsar waveforms are highly consistent with the nested-cone model and, in general, inconsistent with the patchy beam model.

  2. Analytical protostellar disk models 1: the effect of internal dissipation and surface irradiation on the structure of disks and the location of the snow line around Sun-like stars

    E-Print Network [OSTI]

    Pascale Garaud; Douglas N. C. Lin

    2006-05-03T23:59:59.000Z

    We construct a new set of self-consistent analytical disk models by taking into account both viscous and radiative sources of thermal energy. We analyze the non-isothermal structure of the disk across the mid-plane for optically thick disks, and use the standard two-temperature model in the case of optically thin disks. We deduce a set of general formula for the relationship between the mass accretion rate and the surface density profile. Our results recover those of Chiang & Goldreich in the optically thin regions, but extend their work for the opaque regions of the disk. For the purpose of illustration, we apply our theory in this paper to determine the structure of protostellar disks around T Tauri stars under a state of steady accretion and derive the corresponding radial distribution function of various disk properties such as surface density and temperature near the mid-plane. We calculate the position of the snow line around a sun-like T Tauri star, and deduce that it can evolve from well outside 10 AU during FU Orionis outbursts, to about 4 AU during passive accretion phase, to the present-day orbital radius of Venus and finally re-expand to over 2.2 AU during the protostellar- to-debris disk transition. This non-monotonous evolution of the snow line may provide some novel and deterministic explanation for the total water content and its isotopic composition of both Venus and the Earth. In the optically thin, outermost regions of the disk we find that the surface density profile of the dust varies roughly as 1/r, which is consistent with mm observations of spatially resolved disk of Mundy et al. (2000).

  3. SU(3) Polyakov Linear $\\sigma$-Model in Magnetic Field: Thermodynamics, Higher-Order Moments, Chiral Phase Structure and Meson Masses

    E-Print Network [OSTI]

    Tawfik, Abdel Nasser

    2015-01-01T23:59:59.000Z

    Effects of external magnetic field on various properties of the quantum chromodynamics under extreme conditions of temperature and density have been analysed. To this end, we use SU(3) Polyakov linear sigma-model and assume that the external magnetic field eB adds some restrictions to the quarks energy due to the existence of free charges in the plasma phase. In doing this, we apply the Landau theory of quantization. This requires an additional temperature to drive the system through the chiral phase-transition. Accordingly, the dependence of the critical temperature of chiral and confinement phase-transitions on the magnetic field is characterized. Based on this, we have studied the thermal evolution of thermodynamic quantities and the first four higher-order moment of particle multiplicity. Having all these calculations, we have studied the effects of magnetic field on chiral phase-transition. We found that both critical temperature T_c and critical chemical potential increase with increasing the magnetic f...

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. Structural Modeling and Analysis of Structures in Aorta Images

    E-Print Network [OSTI]

    Xu, Hai

    2012-10-19T23:59:59.000Z

    -statistics of most samples were larger than ? = 0.05 (4/5 NT for LT and 3/5 NT for ILD, and 16/21 HT for LT and 18/21 HT for ILD). These results suggested that, in most cases, LT and ILD can be considered uniformly distributed along the circumferential direction... were uniform, consistent with the outcome of the hypothesis testing. The average LT was only slightly higher for the HT (= 4.32) than the NT (=3.81) aortas, but there was a tendency toward a higher value toward the lumen in the hypertensive cases...

  9. 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

  10. 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.

  11. 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.

  12. Armor structures

    DOE Patents [OSTI]

    Chu, Henry Shiu-Hung [Idaho Falls, ID; Lacy, Jeffrey M [Idaho Falls, ID

    2008-04-01T23:59:59.000Z

    An armor structure includes first and second layers individually containing a plurality of i-beams. Individual i-beams have a pair of longitudinal flanges interconnected by a longitudinal crosspiece and defining opposing longitudinal channels between the pair of flanges. The i-beams within individual of the first and second layers run parallel. The laterally outermost faces of the flanges of adjacent i-beams face one another. One of the longitudinal channels in each of the first and second layers faces one of the longitudinal channels in the other of the first and second layers. The channels of the first layer run parallel with the channels of the second layer. The flanges of the first and second layers overlap with the crosspieces of the other of the first and second layers, and portions of said flanges are received within the facing channels of the i-beams of the other of the first and second layers.

  13. 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(

  14. 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

  15. MODELING OF PERIODIC DIELECTRIC STRUCTURES (ELECTROMAGNETIC CRYSTALS)

    E-Print Network [OSTI]

    Sarabandi, Kamal

    Maxwell (1831­1879) #12;c John David Shumpert 2001 All Rights Reserved #12;Sola Deo Gloria ii #12 and Engineering (DDR&E) Multidisciplinary Univer- sity Research Initiative (MURI) on "Low Energy Electronics

  16. 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 ...

  17. 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

  18. 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 ...

  19. 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 on Google Bookmark EERE: Alternative Fuels Data Center Home5b9fcbce19 NoPublic Utilities Address: 160Benin:EnergyWisconsin: Energy, -105.3774934° Loading map...Fork,Reference:Basic

  20. Structural characterization of the model amphipathic peptide

    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:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administrationcontroller systemsBiSiteNeutronStrategicOur Mission Our

  1. Numerical Simulation of Wave Loads on Static Offshore Structures

    E-Print Network [OSTI]

    Numerical Simulation of Wave Loads on Static Offshore Structures Hrvoje Jasak, Inno Gatin, Vuko Workshop, Cambridge, 30 July 2014 Numerical Simulation of Wave Loads on Static Offshore Structures ­ p. #12 of Wave Loads on Static Offshore Structures ­ p. #12;VOF Free Surface Flow Model Modelling of Free Surface

  2. The structure and emission model of the relativistic jet in the quasar 3C 279 inferred from radio to high-energy gamma-ray observations in 2008-2010

    E-Print Network [OSTI]

    Hayashida, M; Nalewajko, K; Sikora, M; Wehrle, A E; Ogle, P; Collmar, W; Larsson, S; Fukazawa, Y; Itoh, R; Chiang, J; Stawarz, L; Blandford, R D; Richards, J L; Max-Moerbeck, W; Readhead, A; Buehler, R; Cavazzuti, E; Ciprini, S; Gehrels, N; Reimer, A; Szostek, A; Tanaka, T; Tosti, G; Uchiyama, Y; Kawabata, K S; Kino, M; Sakimoto, K; Sasada, M; Sato, S; Uemura, M; Yamanaka, M; Greiner, J; Kruehler, T; Rossi, A; Macquart, J P; Bock, D C -J; Villata, M; Raiteri, C M; Agudo, I; Aller, H D; Aller, M F; Arkharov, A A; Bach, U; Benitez, E; Berdyugin, A; Blinov, D A; Blumenthal, K; Boettcher, M; Buemi, C S; Carosati, D; Chen, W P; Di Paola, A; Dolci, M; Efimova, N V; Forne, E; Gomez, J L; Gurwell, M A; Heidt, J; Hiriart, D; Jordan, B; Jorstad, S G; Joshi, M; Kimeridze, G; Konstantinova, T S; Kopatskaya, E N; Koptelova, E; Kurtanidze, O M; Lahteenmaki, A; Lamerato, A; Larionov, V M; Larionova, E G; Larionova, L V; Leto, P; Lindfors, E; Marscher, A P; McHardy, I M; Molina, S N; Morozova, D A; Nikolashvili, M G; Nilsson, K; Reinthal, R; Roustazadeh, P; Sakamoto, T; Sigua, L A; Sillanpaa, A; Takalo, L; Tammi, J; Taylor, B; Tornikoski, M; Trigilio, C; Troitsky, I S; Umana, G

    2012-01-01T23:59:59.000Z

    We present time-resolved broad-band observations of the quasar 3C 279 obtained from multi-wavelength campaigns conducted during the first two years of the Fermi Gamma-ray Space Telescope mission. While investigating the previously reported gamma-ray/optical flare accompanied by a change in optical polarization, we found that the optical emission appears delayed with respect to the gamma-ray emission by about 10 days. X-ray observations reveal a pair of `isolated' flares separated by ~90 days, with only weak gamma-ray/optical counterparts. The spectral structure measured by Spitzer reveals a synchrotron component peaking in the mid-infrared band with a sharp break at the far-infrared band during the gamma-ray flare, while the peak appears in the mm/sub-mm band in the low state. Selected spectral energy distributions are fitted with leptonic models including Comptonization of external radiation produced in a dusty torus or the broad-line region. Adopting the interpretation of the polarization swing involving pr...

  3. 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.

  4. 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 ...

  5. E-Print Network 3.0 - aeroservoelastic model based Sample Search...

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

    Modeling Figure 1 shows... by coupling the wing finite element model and the aerodynamic model is based on the unsteady Doublet... - TURKEY STRUCTURAL MODELING AND FLUTTER...

  6. The design of lightweight composite structures, for example airframe structures, relies on extensive testing, coupled to a

    E-Print Network [OSTI]

    Reisslein, Martin

    is also researching ceramic matrix "hot" structures, nano-composites, and multi-material structuresSEMTE abstract The design of lightweight composite structures, for example airframe structures will be highlighted. Finite element models developed for laminated composites that can be used in ICME and "digital

  7. 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

  8. 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.

  9. STRUCTURAL CHANGE AND LEARNING WITHIN ORGANIZATIONS

    E-Print Network [OSTI]

    Sadeh, Norman M.

    Change and Learning Within Organizations". In Dynamics of organizational societies : Models, theories to organizational learning. This approach defines learning, culture, structure and behavior at the individual and organizational level. When organizations, as synthetic agents learn important organizational behaviors emerge

  10. 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

  11. Bayesian Methods for Aircraft Structural Health

    E-Print Network [OSTI]

    Henderson, Thomas C.

    .1 Introduction Aircraft structures, whether metallic or composite, are subject to service damage which requires on the inspection results obtained. If damage is detected from an inspection, the decision whether to repair as well dynamically, and compared to a model of the structure such that damage can be located and a determination made

  12. Stochastic reconstruction of protein structures from effective connectivity profiles

    E-Print Network [OSTI]

    Wolff, Katrin; Vendruscolo, Michele; Porto, Markus

    2008-11-26T23:59:59.000Z

    combined with other current methods for predicting native structures. PACS codes: 87.14.Ee. Introduction The challenges presented by the protein folding problem have been approached from a wide range of different theoretical angles. Computationally... convenient structural representations of protein structures such as lattice models [1,2] or G?-models [3,4] have the advantage of simplic- ity and of capturing some of the more universal properties of the protein folding process. How- ever, lattice models...

  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. 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. ...

  15. Protein structure elucidation from computational techniques and sparse EPR data.

    E-Print Network [OSTI]

    Alexander, Nathan Scott

    2012-01-01T23:59:59.000Z

    ??Computational methods that allow application of electron paramagnetic resonance (EPR) spectroscopy data for protein structure prediction were developed. An implicit cone-model for the spin label… (more)

  16. Protein Structure Recognition: From Eigenvector Analysis to Structural Threading Method

    SciTech Connect (OSTI)

    Haibo Cao

    2003-12-12T23:59:59.000Z

    In this work, they try to understand the protein folding problem using pair-wise hydrophobic interaction as the dominant interaction for the protein folding process. They found a strong correlation between amino acid sequences and the corresponding native structure of the protein. Some applications of this correlation were discussed in this dissertation include the domain partition and a new structural threading method as well as the performance of this method in the CASP5 competition. In the first part, they give a brief introduction to the protein folding problem. Some essential knowledge and progress from other research groups was discussed. This part includes discussions of interactions among amino acids residues, lattice HP model, and the design ability principle. In the second part, they try to establish the correlation between amino acid sequence and the corresponding native structure of the protein. This correlation was observed in the eigenvector study of protein contact matrix. They believe the correlation is universal, thus it can be used in automatic partition of protein structures into folding domains. In the third part, they discuss a threading method based on the correlation between amino acid sequences and ominant eigenvector of the structure contact-matrix. A mathematically straightforward iteration scheme provides a self-consistent optimum global sequence-structure alignment. The computational efficiency of this method makes it possible to search whole protein structure databases for structural homology without relying on sequence similarity. The sensitivity and specificity of this method is discussed, along with a case of blind test prediction. In the appendix, they list the overall performance of this threading method in CASP5 blind test in comparison with other existing approaches.

  17. NUCLEAR STRUCTURE DATABASE

    E-Print Network [OSTI]

    Firestone, R.B.

    2010-01-01T23:59:59.000Z

    CALIFORNIA NUCLEAR STRUCTURE DATABASE R. B. Firestone and E.11089 NUCLEAR STRUCTURE DATABASE by R.B. Firestone and E.iii- NUCLEAR STRUCTURE DATABASE R.B Firestone and E. Browne

  18. structural biology | EMSL

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

    structural biology structural biology Leads No leads are available at this time. Improved protocol to purify untagged amelogenin - Application to murine amelogenin containing the...

  19. Decisionmetrices : dynamic structural estimation of shipping investment decisions

    E-Print Network [OSTI]

    Dikos, George

    2004-01-01T23:59:59.000Z

    This dissertation develops structural models for analyzing shipping investment decisions, namely ordering, scrapping and lay-up decisions in the tanker industry. We develop models, based on a microeconomic specification, ...

  20. Magnetic structure of Coronal Mass Ejections

    E-Print Network [OSTI]

    Lyutikov, Maxim

    2012-01-01T23:59:59.000Z

    We present several models of the magnetic structure of solar coronal mass ejections (CMEs). First, we model CMEs as expanding force-free magnetic structures. While keeping the internal magnetic field structure of the stationary solutions, expansion leads to complicated internal velocities and rotation, while the field structures remain force-free. Second, expansion of a CME can drive resistive dissipation within the CME changing the ionization states of different ions. We fit in situ measurements of ion charge states to the resistive spheromak solutions. Finally, we consider magnetic field structures of fully confined stable magnetic clouds containing both toroidal and poloidal magnetic fields and having no surface current sheets. Expansion of such clouds may lead to sudden onset of reconnection events.

  1. Interface dynamics for layered structures

    E-Print Network [OSTI]

    Takao Ohta; David Jasnow

    1997-07-17T23:59:59.000Z

    We investigate dynamics of large scale and slow deformations of layered structures. Starting from the respective model equations for a non-conserved system, a conserved system and a binary fluid, we derive the interface equations which are a coupled set of equations for deformations of the boundaries of each domain. A further reduction of the degrees of freedom is possible for a non-conserved system such that internal motion of each domain is adiabatically eliminated. The resulting equation of motion contains only the displacement of the center of gravity of domains, which is equivalent to the phase variable of a periodic structure. Thus our formulation automatically includes the phase dynamics of layered structures. In a conserved system and a binary fluid, however, the internal motion of domains turns out to be a slow variable in the long wavelength limit because of concentration conservation. Therefore a reduced description only involving the phase variable is not generally justified.

  2. Earth Structure Introduction

    E-Print Network [OSTI]

    Earth Structure Introduction Earth Structure (2nd Edition), 2004 W.W. Norton & Co, New York Slide show by Ben van der Pluijm © WW Norton, unless noted otherwise #12;© EarthStructure (2nd ed) 210/4/2010 Aerial views #12;© EarthStructure (2nd ed) 310/4/2010 http://www.globalchange.umich.edu/Ben/ES/ #12

  3. Protein Docking by the Interface Structure Similarity: How Much Structure Is Needed?

    E-Print Network [OSTI]

    Sinha, Rohita; Kundrotas, Petras J.; Vakser, Ilya A.

    2012-02-13T23:59:59.000Z

    The increasing availability of co-crystallized protein-protein complexes provides an opportunity to use template-based modeling for protein-protein docking. Structure alignment techniques are useful in detection of remote ...

  4. Aquifer Structure Identification Using Stochastic Inversion

    SciTech Connect (OSTI)

    Harp, Dylan R [Los Alamos National Laboratory; Dai, Zhenxue [Los Alamos National Laboratory; Wolfsberg, Andrew V [Los Alamos National Laboratory; Vrugt, Jasper A [Los Alamos National Laboratory

    2008-01-01T23:59:59.000Z

    This study presents a stochastic inverse method for aquifer structure identification using sparse geophysical and hydraulic response data. The method is based on updating structure parameters from a transition probability model to iteratively modify the aquifer structure and parameter zonation. The method is extended to the adaptive parameterization of facies hydraulic parameters by including these parameters as optimization variables. The stochastic nature of the statistical structure parameters leads to nonconvex objective functions. A multi-method genetically adaptive evolutionary approach (AMALGAM-SO) was selected to perform the inversion given its search capabilities. Results are obtained as a probabilistic assessment of facies distribution based on indicator cokriging simulation of the optimized structural parameters. The method is illustrated by estimating the structure and facies hydraulic parameters of a synthetic example with a transient hydraulic response.

  5. Short-term hydroelectric generation model. Model documentation report

    SciTech Connect (OSTI)

    NONE

    1996-12-01T23:59:59.000Z

    The purpose of this report is to define the objectives of the Energy Information Administration`s (EIA) Short-Term Hydroelectric Generation Model (STHGM), describe its basic approach, and to provide details on the model structure. This report is intended as a reference document for model analysts, users, and the general public. Documentation of the model is in accordance with the EIA`s legal obligation to provide adequate documentation in support of its models.

  6. Toward Improved Identifiability of Soil Hydraulic Parameters: On the Selection of a Suitable Parametric Model

    E-Print Network [OSTI]

    Vrugt, Jasper A.

    paramet- kind of observational data (Zachmann et al., 1981; Koolric model structure and provides useful

  7. 22.314J / 1.56J / 2.084J Structural Mechanics in Nuclear Power Technology, Spring 2004

    E-Print Network [OSTI]

    Kazimi, Mujid S.

    Structural components in nuclear power plant systems, their functional purposes, operating conditions, and mechanical-structural design requirements. Combines mechanics techniques with models of material behavior to determine ...

  8. Structured CSP --A Process Algebra as an Institution #

    E-Print Network [OSTI]

    Mossakowski, Till - Deutschen Forschungszentrum für Künstliche Intelligenz & Fachbereich 3

    Structured CSP -- A Process Algebra as an Institution # Till Mossakowski 1 and Markus Roggenbach 2 Csp, one for the traces model, and one for the stable failures model. The construction is generic institution) also for Csp. With a small example we demonstrate that structuring indeed makes sense for Csp. 1

  9. Cordis Anima Physical Modeling and Simulation System Analysis

    E-Print Network [OSTI]

    Kouroupetroglou, Georgios

    internal descriptions, finite difference model, modal decomposition, electrical analogous circuits, CA equation [3] the modal approach where the vibrating structure is represented through a series physical modeling techniques. Vibrating structures like all kind of elastic bodies, strings, membranes

  10. Near quantitative agreement of model free DFT- MD predictions...

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

    Near quantitative agreement of model free DFT- MD predictions with XAFS observations of the hydration structure of highly Near quantitative agreement of model free DFT- MD...

  11. Combustion fume structure and dynamics

    SciTech Connect (OSTI)

    Flagan, R.C.

    1992-08-01T23:59:59.000Z

    The focus of this research program is on elucidating the fundamental processes that determine the particle size distribution, composition, and agglomerate structures of coal ash fumes. The ultimate objective of this work is the development and validation of a model for the dynamics of combustion fumes, describing both the evolution of the particle size distribution and the particle morphology. The study employs model systems to address the fundamental questions and to provide rigorous validation of the models to be developed. This first phase of the project has been devoted to the development of a detailed experimental strategy that will allow agglomerates with a broad range of fractal dimensions to be studied in the laboratory. (VC)

  12. Spatial Data Structures Spatial data structures describe the rules that are used to represent geographic data in geographic

    E-Print Network [OSTI]

    Stock, Kristin

    Spatial Data Structures Spatial data structures describe the rules that are used to represent depending on those beneath it: · Conceptual spatial data models describe how geographic objects (for example, rivers) or phenomena are represented in GIS. · Logical spatial data models describe how geographic data

  13. Modeling the spatial structure of debris disks S. Ertel (1), S. Wolf (1), C. Eiroa (2), J.-C. Augereau (3), S. Metchev (4), G. Schneider (5), M. D. Silverstone (6),

    E-Print Network [OSTI]

    Schneider, Glenn

    ) level around a volume limited sam- ple (d ]. Simultaneous modeling of images and SED reveals a heavy EKB analog and additional evidence for an inner disk-wavelength modeling (Fig. 3, Fig. 4) of high spatial resolution scattered light images, a resolved CARMA map at 1.3 mm

  14. A Pure Geometric Approach to Stellar Structure

    E-Print Network [OSTI]

    M. I. Wanas; Samah A. Ammar

    2011-09-24T23:59:59.000Z

    The present work represents a step to deal with stellar structure using a pure geometric approach. A geometric field theory is used to construct a model for a spherically symmetric configuration. The model obtained can be considered as a pure geometric one in the sense that the tensor describing the material distributions is not a phenomenological object, but a part of the geometric structure used. A general equation of state is obtained from, and not imposed on, the model. The solution obtained shows that there are different zones characterizing the configuration: a central radiation dominant zone, a probable convection zone as a physical interpretation of the singularity of the model and a corona like zone. The model may represent a type of main sequence stars. The present work shows that Einstein's geometerization scheme can be extended to gain more physical information within material distribution, with some advantages.

  15. Basic model Basic model

    E-Print Network [OSTI]

    Liu, I-Shih

    Early days Basic model Literature Classical literature Bayes pre-MCMC Bayes post-MCMC Basic model systems via latent factors Hedibert Freitas Lopes Booth School of Business University of Chicago Col / 66 #12;Early days Basic model Literature Classical literature Bayes pre-MCMC Bayes post-MCMC Basic

  16. RMP Colloquia Modeling molecular motors

    E-Print Network [OSTI]

    Jülicher, Frank

    The authors present general considerations and simple models for the operation of isothermal motors at small structural differences from the usual Carnot engines. Turning to more explicit models for a single motorRMP Colloquia Modeling molecular motors Frank Ju¨licher,* Armand Ajdari, and Jacques Prost

  17. Modeling of engine sprays

    SciTech Connect (OSTI)

    Bracco, F.V.

    1985-01-01T23:59:59.000Z

    Atomization and full-cone sprays from single cylindrical orifices are considered. The following subjects are reviewed: the structure of the breakup region; the structure of the far field; modern models that, given the outcome of the breakup process, compute the steady and transient of sprays; some comparisons with detailed measurements; and some practical applications. The following conclusions are reached: the spray breakup and the development regions are the most relevant in engine applications; the inner structure of the breakup region is still largely unknown; two- and three-dimensional spray models are available but remain mostly untested, particularly in their vaporization and combustion components, in part because of a lack of accurate measurements in controlled engine-type environments; engine applications of such models are, nonetheless, recommended for very valuable learning, interpretative, and exploratory studies, but not for predictions.

  18. Crystal Structure of Cascade

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

    ribbon-like structure (Figure 1). This structure is facilitated by rotation of nucleotides out of the duplex region at six base pair intervals and stabilized by the highly...

  19. Structuring beyond architecture

    E-Print Network [OSTI]

    Foxe, David M

    2006-01-01T23:59:59.000Z

    This thesis explores the layering and negotiation of structural devices in urban settings. Its point of departure is a series of patterns of how structural design and urban design interact and overlap, from which are ...

  20. Neutron reflecting supermirror structure

    DOE Patents [OSTI]

    Wood, James L. (Drayton Plains, MI)

    1992-01-01T23:59:59.000Z

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

  1. Neutron reflecting supermirror structure

    DOE Patents [OSTI]

    Wood, J.L.

    1992-12-01T23:59:59.000Z

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

  2. Damping dependence on bolt torque for a simple frame structure.

    SciTech Connect (OSTI)

    Hunter, N. F. (Norman F.); Paez, Thomas L.,

    2003-01-01T23:59:59.000Z

    Damping quantifies the energy dissipation properties of a material or system under cyclic stress. Damping is also one of the most difficult properties of a mechanical structure to model using first principles (Ewins, 2002) . Damping in uniform metal structures is often low. In built up structures dissipation occurs at mechanical joints or through introduction of viscoelastic materials ( Ungar, 1973, Goodman, 1996) . Energy dissipation at joints, associated with microslip, macroslip and hystersis increases the total damping of a structure so built up structures virtually always have greater damping than structures composed of a single part . Since damping is sensitive to interface properties, damping is a good feature for quantifying interface condition.

  3. Models and phenomenology

    E-Print Network [OSTI]

    A. D. Erlykin

    2004-11-09T23:59:59.000Z

    It is evident that models of the knee should match the observational phenomenology. In this talk I discuss a few aspects of phenomenology, which are important not only for the understanding of the knee origin, but also for the general problem of the origin of cosmic rays. Among them are the shape of the energy spectrum, its irregularity, the sharpness of the knee and its fine structure. The classification of models is given and some examples of the most recent models are discussed. The most probable conclusion deduced from this examination is that the knee has an astrophysical origin and the so called 'source' models of the knee are most likely among them.

  4. Structural health monitoring for ship structures

    SciTech Connect (OSTI)

    Farrar, Charles [Los Alamos National Laboratory; Park, Gyuhae [Los Alamos National Laboratory; Angel, Marian [Los Alamos National Laboratory; Bement, Matthew [Los Alamos National Laboratory; Salvino, Liming [NSWC, CADEROCK

    2009-01-01T23:59:59.000Z

    Currently the Office of Naval Research is supporting the development of structural health monitoring (SHM) technology for U.S. Navy ship structures. This application is particularly challenging because of the physical size of these structures, the widely varying and often extreme operational and environmental conditions associated with these ships missions, lack of data from known damage conditions, limited sensing that was not designed specifically for SHM, and the management of the vast amounts of data that can be collected during a mission. This paper will first define a statistical pattern recognition paradigm for SHM by describing the four steps of (1) Operational Evaluation, (2) Data Acquisition, (3) Feature Extraction, and (4) Statistical Classification of Features as they apply to ship structures. Note that inherent in the last three steps of this process are additional tasks of data cleansing, compression, normalization and fusion. The presentation will discuss ship structure SHM challenges in the context of applying various SHM approaches to sea trials data measured on an aluminum multi-hull high-speed ship, the HSV-2 Swift. To conclude, the paper will discuss several outstanding issues that need to be addressed before SHM can make the transition from a research topic to actual field applications on ship structures and suggest approaches for addressing these issues.

  5. Structural Model of Channelrhodopsin*S Received for publication,November 4, 2011, and in revised form, January 10, 2012 Published, JBC Papers in Press,January 12, 2012, DOI 10.1074/jbc.M111.320309

    E-Print Network [OSTI]

    Schnitzer, Mark

    channels that mediate ion transport across membranes in microalgae (vectorial catalysis). ChRs are now validation of the model, we successfully reproduce the excitation energy pre- dicted by absorption spectra

  6. Structural genomics - A goldmine of blueprints for structure...

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

    - A goldmine of blueprints for structure-based drug design. Structural genomics - A goldmine of blueprints for structure-based drug design. Abstract: In late 2007 the National...

  7. Thermal structure of a protostellar envelope

    E-Print Network [OSTI]

    Pavlyuchenkov, Ya N; Vorobyov, E I; Fateeva, A M

    2015-01-01T23:59:59.000Z

    A numerical hydrodynamical model for the evolution of spherically symmetric collapsing clouds, designed for the calculation of the thermal structure of these objects in both the prestellar and protostellar stages of their evolution, is presented. Distinctive features of the model include the possibility of independently describing the temperatures of the gas and dust, which is extremely important when calculating the thermal structure of prestellar and protostellar clouds, and the account of the radiation flux from the central protostar. This model is used to compare the theoretical density and temperature distributions with observations for nearby sites of star formation obtained with the Herschel Space Observatory. Application of the diffusion approximation with a flux limiter describes well the radial density and temperature distributions in protostellar clouds. However, significant differences between the model and observational density profiles were found for prestellar stages, suggesting the presence of...

  8. Photon emission within the linear sigma model

    E-Print Network [OSTI]

    F. Wunderlich; B. Kampfer

    2014-12-22T23:59:59.000Z

    Soft-photon emission rates are calculated within the linear sigma model. The investigation is aimed at answering the question to which extent the emissivities map out the phase structure of this particular effective model of strongly interacting matter.

  9. The chemistry and evolution of enzyme function: isomerases as a case study

    E-Print Network [OSTI]

    Martínez Cuesta, Sergio

    2014-11-11T23:59:59.000Z

    and served as a model to explore protein folding and the development of proteolytic methods. Subsequent research on the active site and catalytic mechanism of lysozyme, ribonuclease and other enzymes and further work on the stereochemistry of enzyme...

  10. Geologic Framework Model Analysis Model Report

    SciTech Connect (OSTI)

    R. Clayton

    2000-12-19T23:59:59.000Z

    The purpose of this report is to document the Geologic Framework Model (GFM), Version 3.1 (GFM3.1) with regard to data input, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, qualification status of the model, and the differences between Version 3.1 and previous versions. The GFM represents a three-dimensional interpretation of the stratigraphy and structural features of the location of the potential Yucca Mountain radioactive waste repository. The GFM encompasses an area of 65 square miles (170 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the GFM were chosen to encompass the most widely distributed set of exploratory boreholes (the Water Table or WT series) and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The GFM was constructed from geologic map and borehole data. Additional information from measured stratigraphy sections, gravity profiles, and seismic profiles was also considered. This interim change notice (ICN) was prepared in accordance with the Technical Work Plan for the Integrated Site Model Process Model Report Revision 01 (CRWMS M&O 2000). The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The GFM is one component of the Integrated Site Model (ISM) (Figure l), which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components: (1) Geologic Framework Model (GFM); (2) Rock Properties Model (RPM); and (3) Mineralogic Model (MM). The ISM merges the detailed project stratigraphy into model stratigraphic units that are most useful for the primary downstream models and the repository design. These downstream models include the hydrologic flow models and the radionuclide transport models. All the models and the repository design, in turn, will be incorporated into the Total System Performance Assessment (TSPA) of the potential radioactive waste repository block and vicinity to determine the suitability of Yucca Mountain as a host for the repository. The interrelationship of the three components of the ISM and their interface with downstream uses are illustrated in Figure 2.

  11. Applications of Continuum Shell Model

    E-Print Network [OSTI]

    Alexander Volya

    2006-05-16T23:59:59.000Z

    The nuclear many-body problem at the limits of stability is considered in the framework of the Continuum Shell Model that allows a unified description of intrinsic structure and reactions. Technical details behind the method are highlighted and practical applications combining the reaction and structure pictures are presented.

  12. Handbook on dynamics of jointed structures.

    SciTech Connect (OSTI)

    Ames, Nicoli M.; Lauffer, James P.; Jew, Michael D.; Segalman, Daniel Joseph; Gregory, Danny Lynn; Starr, Michael James; Resor, Brian Ray

    2009-07-01T23:59:59.000Z

    The problem of understanding and modeling the complicated physics underlying the action and response of the interfaces in typical structures under dynamic loading conditions has occupied researchers for many decades. This handbook presents an integrated approach to the goal of dynamic modeling of typical jointed structures, beginning with a mathematical assessment of experimental or simulation data, development of constitutive models to account for load histories to deformation, establishment of kinematic models coupling to the continuum models, and application of finite element analysis leading to dynamic structural simulation. In addition, formulations are discussed to mitigate the very short simulation time steps that appear to be required in numerical simulation for problems such as this. This handbook satisfies the commitment to DOE that Sandia will develop the technical content and write a Joints Handbook. The content will include: (1) Methods for characterizing the nonlinear stiffness and energy dissipation for typical joints used in mechanical systems and components. (2) The methodology will include practical guidance on experiments, and reduced order models that can be used to characterize joint behavior. (3) Examples for typical bolted and screw joints will be provided.

  13. Queuing models System dynamics models

    E-Print Network [OSTI]

    Glushko, Robert J.

    models Value chain models Business Model / Organizational Perspective Process Perspective Information#12;#12;#12;#12;Queuing models System dynamics models #12;#12;#12;#12;Blueprint or touchpoint

  14. Cosmogony of Generic Structures

    E-Print Network [OSTI]

    T. Buchert

    1994-12-19T23:59:59.000Z

    The problem of formation of generic structures in the Universe is addressed, whereby first the kinematics of inertial continua for coherent initial data is considered. The generalization to self--gravitating continua is outlined focused on the classification problem of singularities and metamorphoses arising in the density field. Self--gravity gives rise to an internal hierarchy of structures, and, dropping the assumption of coherence, also to an external hierarchy of structures dependent on the initial power spectrum of fluctuations.

  15. Structural Health Monitoring

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

    Test Structures & Applications Contact Institute Director Charles Farrar (505) 663-5330 Email UCSD EI Director Michael Todd (858) 534-5951 Professional Staff Assistant Jutta Kayser...

  16. Structural Health Monitoring

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

    regarding the integrity of the structure. Contact Institute Director Charles Farrar (505) 663-5330 Email UCSD EI Director Michael Todd (858) 534-5951 Professional Staff...

  17. Novel Composite Cathode Structures

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

    Chemical Sciences and Engineering Division Argonne National Laboratory May 16, 2012 Novel Composite Cathode Structures This presentation does not contain any proprietary or...

  18. EMSL - structural biology

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

    structural-biology en Improved protocol to purify untagged amelogenin - Application to murine amelogenin containing the equivalent P70 ? T point http:www.emsl.pnl.gov...

  19. Photovoltaic Cell Structure Basics

    Broader source: Energy.gov [DOE]

    The actual structural design of a photovoltaic (PV), or solar cell, depends on the limitations of the material used in the PV cell.

  20. Neutron reflecting supermirror structure

    DOE Patents [OSTI]

    Wood, James L. (Drayton Plains, MI)

    1992-01-01T23:59:59.000Z

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

  1. Controlling Graphene's Electronic Structure

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

    Controlling Graphene's Electronic Structure Print Wednesday, 25 April 2007 00:00 Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has...

  2. Designing of Metallic Photonic Structures and Applications

    SciTech Connect (OSTI)

    Yong-Sung Kim

    2006-08-09T23:59:59.000Z

    In this thesis our main interest has been to investigate metallic photonic crystal and its applications. We explained how to solve a periodic photonic structure with transfer matrix method and when and how to use modal expansion method. Two different coating methods were introduced, modifying a photonic structure's intrinsic optical properties and rigorous calculation results are presented. Two applications of metallic photonic structures are introduced. For thermal emitter, we showed how to design and find optimal structure. For conversion efficiency increasing filter, we calculated its efficiency and the way to design it. We presented the relation between emitting light spectrum and absorption and showed the material and structural dependency of the absorption spectrum. By choosing a proper base material and structural parameters, we can design a selective emitter at a certain region we are interested in. We have developed a theoretical model to analyze a blackbody filament enclosed by a metallic mesh which can increase the efficiency of converting a blackbody radiation to visible light. With this model we found that a square lattice metallic mesh enclosing a filament might increase the efficiency of incandescent lighting sources. Filling fraction and thickness dependency were examined and presented. Combining these two parameters is essential to achieve the maximum output result.

  3. Communication and Structured Correlation Elliott Wagner

    E-Print Network [OSTI]

    Barrett, Jeffrey A.

    Communication and Structured Correlation Elliott Wagner October 19, 2008 Abstract Philosophers population and models in which a finite number of agents communicate with their neighbors in a social network. My results show that communication with neighbors is more conducive to the evolution of meaning than

  4. FLUID MECHANICS AND MATHEMATICAL STRUCTURES PHILIP BOYLAND

    E-Print Network [OSTI]

    Boyland, Philip

    FLUID MECHANICS AND MATHEMATICAL STRUCTURES PHILIP BOYLAND Department of Mathematics University in the most basic models of fluid motion. 1. Introduction Fluid mechanics is the source of many of the ideas, Lagrange, . . .. Mathematicians have abstracted and vastly generalized ba- sic fluid mechanical concepts

  5. Using Concurrency for Structuring Jayadev Misra

    E-Print Network [OSTI]

    Misra, Jayadev

    at Austin http://orc.csres.utexas.edu #12;Why concurrency? · To speed up things · To model an inherently concurrent system · To structure a system (e.g. operating systems) #12;Quick Intro to Orc; Parallel Composition 1 :: 1 -- publishes 1 1 | 2 :: 1 -- publishes both 1 :: 2 -- and 2 #12;Quick Intro to Orc

  6. Surface Structures of 4-Chlorocatechol Adsorbed on

    E-Print Network [OSTI]

    Surface Structures of 4-Chlorocatechol Adsorbed on Titanium Dioxide S C O T T . M A R T I N , J A N. The pH dependence of the adsorption isotherms is modeled using a generalized electric double not correlate with the extent of adsorption. Tunesi et al. (22) suggested that sali- cylate undergoes direct

  7. Piecewise training for structured prediction

    E-Print Network [OSTI]

    Sutton, Charles; McCallum, Andrew

    2009-01-01T23:59:59.000Z

    margin methods for structured prediction. In Internationalaccuracy computational gene prediction. PLoS Computationaltraining for structured prediction Charles Sutton · Andrew

  8. Social significance of community structure: Statistical view

    E-Print Network [OSTI]

    Li, Hui-Jia

    2015-01-01T23:59:59.000Z

    Community structure analysis is a powerful tool for social networks, which can simplify their topological and functional analysis considerably. However, since community detection methods have random factors and real social networks obtained from complex systems always contain error edges, evaluating the significance of community structure partitioned is an urgent and important question. In this paper, integrating the specific characteristics of real society, we present a novel framework analyzing the significance of social community specially. The dynamics of social interactions are modeled by identifying social leaders and corresponding hierarchical structures. Instead of a direct comparison with the average outcome of a random model, we compute the similarity of a given node with the leader by the number of common neighbors. To determine the membership vector, an efficient community detection algorithm is proposed based on the position of nodes and their corresponding leaders. Then, using log-likelihood sco...

  9. The Multi-Stage Investment Timing Game in Offshore Petroleum Production: Preliminary results from an econometric model

    E-Print Network [OSTI]

    Lin, C.-Y. Cynthia

    2007-01-01T23:59:59.000Z

    robustness checks from the econometric model coefficients inPreliminary results from an econometric model C. -Y.paper uses a structural econometric model to analyze the

  10. Modeling of Energy Production Decisions: An Alaska Oil Case Study

    E-Print Network [OSTI]

    Leighty, Wayne

    2008-01-01T23:59:59.000Z

    In a review of oil market models, Salehi-Isfahani (1995)J. Cremer (1991) “Models of the Oil Market,” in Fundamentalsmarket models predicated on no-cholesterol-knowledge demand structure could not have predicted. In oil

  11. Three-Dimensional Photonic Crystal Laser-Driven Accelerator Structures

    SciTech Connect (OSTI)

    Cowan, B.; /SLAC

    2006-09-07T23:59:59.000Z

    We discuss simulated photonic crystal structure designs for laser-driven particle acceleration, focusing on three-dimensional planar structures based on the so-called ''woodpile'' lattice. We describe guiding of a speed-of-light accelerating mode by a defect in the photonic crystal lattice and discuss the properties of this mode, including particle beam dynamics and potential coupling methods for the structure. We also discuss possible materials and power sources for this structure and their effects on performance parameters, as well as possible manufacturing techniques and the required tolerances. In addition we describe the computational technique and possible improvements in numerical modeling that would aid development of photonic crystal structures.

  12. & Education Structure 2 Parking

    E-Print Network [OSTI]

    Caughman, John

    Cinema East Hall University Technology Services Honors Stratford Building Parkway Science Building 1N Kononia House Fourth Ave Building Art Building Science & Education Center Parking Structure 2 Helen Gordon Child Center Science Research & Teaching Center Parking Structure 3 Ho man Hall West

  13. Calcium silicate insulation structure

    DOE Patents [OSTI]

    Kollie, Thomas G. (Oak Ridge, TN); Lauf, Robert J. (Oak Ridge, TN)

    1995-01-01T23:59:59.000Z

    An insulative structure including a powder-filled evacuated casing utilizes a quantity of finely divided synthetic calcium silicate having a relatively high surface area. The resultant structure-provides superior thermal insulating characteristics over a broad temperature range and is particularly well-suited as a panel for a refrigerator or freezer or the insulative barrier for a cooler or a insulated bottle.

  14. Combustion fume structure and dynamics. Final report

    SciTech Connect (OSTI)

    Flagan, R.C.

    1995-06-29T23:59:59.000Z

    An investigation of the fundamental physical processes that govern the structures of fume particles that are produced from the vapor phase in a wide range of high temperature systems has been conducted. The key objective of this study has been to develop models of the evolution of fine particles of refractory materials that are produced from the vapor phase, with particular emphasis on those processes that govern the evolution of ash fumes produced from volatilized mineral matter during coal combustion. To accomplish this goal, the study has included investigations of a number of fundamental aspects of pyrogenous fumes: Structural characterization of agglomerate particles in terms of fractal structure parameters; the relationship between the structures of agglomerate particles and the aerodynamic drag forces they experience; coagulation kinetics of fractal-like particles; sintering of aerosol agglomerates past the early stage of neck formation and incorporating the simultaneous influences of several transport mechanisms.

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

    SciTech Connect (OSTI)

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

    2009-05-06T23:59:59.000Z

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

  16. Thermodynamic and kinetic modeling of transcriptional pausing

    E-Print Network [OSTI]

    Chen, Kuang-Yu

    in the cotranscriptional RNA secondary structure upstream of the RNA exit channel. The calculations involve no adjustable of recovery of backtracked paused complexes. A crucial ingredient of our model is the incorporation of kinetic secondary structure, an aspect not included explicitly in previous attempts at modeling the transcrip- tion

  17. Optoelectronic Mounting Structure

    DOE Patents [OSTI]

    Anderson, Gene R. (Albuquerque, NM); Armendariz, Marcelino G. (Albuquerque, NM); Baca, Johnny R. F. (Albuquerque, NM); Bryan, Robert P. (Albuquerque, NM); Carson, Richard F. (Albuquerque, NM); Chu, Dahwey (Albuquerque, NM); Duckett, III, Edwin B. (Albuquerque, NM); McCormick, Frederick B. (Albuquerque, NM); Peterson, David W. (Sandia Park, NM); Peterson, Gary D. (Albuquerque, NM); Reber, Cathleen A. (Corrales, NM); Reysen, Bill H. (Lafayette, CO)

    2004-10-05T23:59:59.000Z

    An optoelectronic mounting structure is provided that may be used in conjunction with an optical transmitter, receiver or transceiver module. The mounting structure may be a flexible printed circuit board. Thermal vias or heat pipes in the head region may transmit heat from the mounting structure to the heat spreader. The heat spreader may provide mechanical rigidity or stiffness to the heat region. In another embodiment, an electrical contact and ground plane may pass along a surface of the head region so as to provide an electrical contact path to the optoelectronic devices and limit electromagnetic interference. In yet another embodiment, a window may be formed in the head region of the mounting structure so as to provide access to the heat spreader. Optoelectronic devices may be adapted to the heat spreader in such a manner that the devices are accessible through the window in the mounting structure.

  18. Reduced-Order Model Design for Nonlinear Smart System Models

    E-Print Network [OSTI]

    nonlinear smart material system models can yield full-order numerical models that accurately characterize: Smart materials, proper orthogonal decomposition 1. Introduction Proper Orthogonal Decomposition (POD those seeking to implement real-time control on smart material structures (see [1] and the references

  19. The Standard Cosmological Model

    E-Print Network [OSTI]

    Douglas Scott

    2005-10-26T23:59:59.000Z

    The Standard Model of Particle Physics (SMPP) is an enormously successful description of high energy physics, driving ever more precise measurements to find "physics beyond the standard model", as well as providing motivation for developing more fundamental ideas that might explain the values of its parameters. Simultaneously, a description of the entire 3-dimensional structure of the present-day Universe is being built up painstakingly. Most of the structure is stochastic in nature, being merely the result of the particular realisation of the "initial conditions" within our observable Universe patch. However, governing this structure is the Standard Model of Cosmology (SMC), which appears to require only about a dozen parameters. Cosmologists are now determining the values of these quantities with increasing precision in order to search for "physics beyond the standard model", as well as trying to develop an understanding of the more fundamental ideas which might explain the values of its parameters. Although it is natural to see analogies between the two Standard Models, some intrinsic differences also exist, which are discussed here. Nevertheless, a truly fundamental theory will have to explain both the SMPP and SMC, and this must include an appreciation of which elements are deterministic and which are accidental. Considering different levels of stochasticity within cosmology may make it easier to accept that physical parameters in general might have a non-deterministic aspect.

  20. The Structure of Cholesterol in Lipid Rafts

    E-Print Network [OSTI]

    Laura Toppozini; Sebastian Meinhardt; Clare L. Armstrong; Zahra Yamani; Norbert Kucerka; Friederike Schmid; Maikel C. Rheinstaedter

    2014-12-16T23:59:59.000Z

    Rafts, or functional domains, are transient nano- or mesoscopic structures in the plasma membrane and are thought to be essential for many cellular processes such as signal transduction, adhesion, trafficking and lipid/protein sorting. Observations of these membrane heterogeneities have proven challenging, as they are thought to be both small and short-lived. With a combination of coarse-grained molecular dynamics simulations and neutron diffraction using deuterium labeled cholesterol molecules we observe raft-like structures and determine the ordering of the cholesterol molecules in binary cholesterol-containing lipid membranes. From coarse-grained computer simulations, heterogenous membranes structures were observed and characterized as small, ordered domains. Neutron diffraction was used to study the lateral structure of the cholesterol molecules. We find pairs of strongly bound cholesterol molecules in the liquid-disordered phase, in accordance with the umbrella model. Bragg peaks corresponding to ordering of the cholesterol molecules in the raft-like structures were observed and indexed by two different structures: a monoclinic structure of ordered cholesterol pairs of alternating direction in equilibrium with cholesterol plaques, i.e., triclinic cholesterol bilayers.

  1. Situs: A Package for Docking Crystal Structures into Low-Resolution Maps from Electron Microscopy

    E-Print Network [OSTI]

    Wriggers, Willy

    of the underlying structural data. 1999 Academic Press Key Words: topology representing neural net- works of visualization in structural biology is currently expanding, as novel modeling and graphics tools begin

  2. An On/Off Lattice Approach to Protein Structure Prediction from Contact Maps

    E-Print Network [OSTI]

    Passerini, Andrea

    An On/Off Lattice Approach to Protein Structure Prediction from Contact Maps Stefano Teso1: Protein Structure Prediction, HP model, Contact Maps, Simulated Annealing, Replica Exchange Monte Carlo. 1

  3. Annealing Simulations of Nano-Sized Amorphous Structures in SiC...

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

    Simulations of Nano-Sized Amorphous Structures in SiC. Annealing Simulations of Nano-Sized Amorphous Structures in SiC. Abstract: A two-dimensional model of a nano-sized amorphous...

  4. Ratchet transport and periodic structures in parameter space

    E-Print Network [OSTI]

    Alan Celestino; Cesar Manchein; Holokx A. Albuquerque; Marcus W. Beims

    2011-11-06T23:59:59.000Z

    Ratchet models are prominent candidates to describe the transport phenomenum in nature in the absence of external bias. This work analyzes the parameter space of a discrete ratchet model and gives direct connections between chaotic domains and a family of isoperiodic stable structures with the ratchet current. The isoperiodic structures appear along preferred direction in the parameter space giving a guide to follow the current, which usually increases inside the structures but is independent of the corresponding period. One of such structures has the shrimp-shaped form which is known to be an universal structure in the parameter space of dissipative systems. Currents in parameter space provide a direct measure of the momentum asymmetry of the multistable and chaotic attractors times the size of the corresponding basin of attraction. Transport structures are shown to exist in the parameter space of the Langevin equation with an external oscillating force.

  5. XAFS Model Compound Library

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

    Newville, Matthew

    The XAFS Model Compound Library contains XAFS data on model compounds. The term "model" compounds refers to compounds of homogeneous and well-known crystallographic or molecular structure. Each data file in this library has an associated atoms.inp file that can be converted to a feff.inp file using the program ATOMS. (See the related Searchable Atoms.inp Archive at http://cars9.uchicago.edu/~newville/adb/) This Library exists because XAFS data on model compounds is useful for several reasons, including comparing to unknown data for "fingerprinting" and testing calculations and analysis methods. The collection here is currently limited, but is growing. The focus to date has been on inorganic compounds and minerals of interest to the geochemical community. [Copied, with editing, from http://cars9.uchicago.edu/~newville/ModelLib/

  6. Earthquake behavior and structure of oceanic transform faults

    E-Print Network [OSTI]

    Roland, Emily Carlson

    2012-01-01T23:59:59.000Z

    Oceanic transform faults that accommodate strain at mid-ocean ridge offsets represent a unique environment for studying fault mechanics. Here, I use seismic observations and models to explore how fault structure affects ...

  7. Structured Planning and Debugging: A Linguistic Approach to Problem Solving

    E-Print Network [OSTI]

    Miller, Mark L.

    1976-06-08T23:59:59.000Z

    A structured approach to planning and debugging is obtained by using an Augmented Transition Network (ATN) to model the problem solving process. This proves to be a perspicuous representation for planning concepts including ...

  8. Data Structures for Generalised Arc Consistency for Extensional Constraints

    E-Print Network [OSTI]

    St Andrews, University of

    the extensional representation remains the most effective way to model a facet of a problem it is essential and structured problems. 2 Background The finite-domain constraint satisfaction problem (CSP) consists of

  9. Proton inventory investigations of acyl transfer reactions: transition state structures

    E-Print Network [OSTI]

    Patterson, Jacob Floyd

    1978-01-01T23:59:59.000Z

    for Exchangeable Protons (L) in Aqueous Solutions. Calculated Values of kn Based on the Transition State Model Structures of Figures 11, 1Z, and 13 . Pseudo-First Order Rate Constants for the Buffer- Catalyzed Hydrolysis of N-acetyl-1, 2, 4-triazole at pH 4. 7...-acetylimidazole. 18 19 10 Proposed transition state structure for the hydrolysis of N-acetylimidazolium ion. . . . . . . . . . , . . . . . 26 One proton model for the imidazole-catalyzed hydrolysis of N-acetylimidazole . . . . . . . . . . . . . . . . . . 29 LIST...

  10. Structured Video: A Data Type with ContentBased Access

    E-Print Network [OSTI]

    Gifford, David K.

    Structured Video: A Data Type with Content­Based Access Andrzej Duda y Ron Weiss September 1993 MIT: video indexing and searching, video databases, content­ based retrieval, video algebra #12; Abstract We describe structured video, a general video data model allowing free form annotation, composition

  11. Emergence of non-zonal coherent structures

    E-Print Network [OSTI]

    Bakas, Nikolaos A

    2015-01-01T23:59:59.000Z

    Planetary turbulence is observed to self-organize into large-scale structures such as zonal jets and coherent vortices. One of the simplest models that retains the relevant dynamics of turbulent self-organization is a barotropic flow in a beta-plane channel with turbulence sustained by random stirring. Non-linear integrations of this model show that as the energy input rate of the forcing is increased, the homogeneity of the flow is first broken by the emergence of non-zonal, coherent, westward propagating structures and at larger energy input rates by the emergence of zonal jets. The emergence of both non-zonal coherent structures and zonal jets is studied using a statistical theory, Stochastic Structural Stability Theory (S3T). S3T directly models a second-order approximation to the statistical mean turbulent state and allows the identification of statistical turbulent equilibria and study of their stability. Using S3T, the bifurcation properties of the homogeneous state in barotropic beta-plane turbulence ...

  12. Chemical structure and dynamics: Annual report 1993

    SciTech Connect (OSTI)

    Colson, S.D.

    1994-07-01T23:59:59.000Z

    The Chemical Structure and Dynamics program responds to the need for a fundamental, molecular-level understanding of chemistry at the wide variety of environmentally-important interfaces. The research program is built around the established relationship between structure, thermodynamics, and kinetics. This research effort continues to evolve into a program of rigorous studies of fundamental molecular processes in model systems (e.g., well-characterized surfaces, single-component solutions, clusters, and biological molecules), and studies of complex systems found in the environment. Experimental studies of molecular and supramolecular structures and thermodynamics are key to understanding the nature of matter, and lead to direct comparison with computational results. Kinetic and mechanistic measurements, combined with real-time dynamics measurements of atomic and molecular motions during chemical reactions, provide for a molecular-level description of chemical reactions. The anticipated results of this work are the achievement of a quantitative understanding of chemical processes at complex interfaces, the development of new techniques for the detection and measurement of species at such interfaces, and the interpretation and extrapolation of the observations in terms of models of interfacial chemistry. The Chemical Structure and Dynamics research program includes five areas described in detail in this report: Reaction mechanisms at solid interfaces; Solution and solution interfaces; Structure and dynamics of biological systems; Analytical methods development; and atmospheric chemistry. Extended abstracts are presented for 23 studies.

  13. Structural Health Monitoring Tools

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

    Security, LLC 1 LA-CC-10-032 LA-UR 10-01259 1 Introduction to SHMTools SHMTools is a MATLAB package that facilitates the construction of structural health monitoring (SHM)...

  14. Tseltal clause structure

    E-Print Network [OSTI]

    Shklovsky, Kirill

    2012-01-01T23:59:59.000Z

    This dissertation examines the syntax of clausal structure in Tseltal (Mayan) with a particular focus on agreement phenomena. The first domain of investigation is the External Possession Construction, in which the clausal ...

  15. Constitutive models in LAME.

    SciTech Connect (OSTI)

    Hammerand, Daniel Carl; Scherzinger, William Mark

    2007-09-01T23:59:59.000Z

    The Library of Advanced Materials for Engineering (LAME) provides a common repository for constitutive models that can be used in computational solid mechanics codes. A number of models including both hypoelastic (rate) and hyperelastic (total strain) constitutive forms have been implemented in LAME. The structure and testing of LAME is described in Scherzinger and Hammerand ([3] and [4]). The purpose of the present report is to describe the material models which have already been implemented into LAME. The descriptions are designed to give useful information to both analysts and code developers. Thus far, 33 non-ITAR/non-CRADA protected material models have been incorporated. These include everything from the simple isotropic linear elastic models to a number of elastic-plastic models for metals to models for honeycomb, foams, potting epoxies and rubber. A complete description of each model is outside the scope of the current report. Rather, the aim here is to delineate the properties, state variables, functions, and methods for each model. However, a brief description of some of the constitutive details is provided for a number of the material models. Where appropriate, the SAND reports available for each model have been cited. Many models have state variable aliases for some or all of their state variables. These alias names can be used for outputting desired quantities. The state variable aliases available for results output have been listed in this report. However, not all models use these aliases. For those models, no state variable names are listed. Nevertheless, the number of state variables employed by each model is always given. Currently, there are four possible functions for a material model. This report lists which of these four methods are employed in each material model. As far as analysts are concerned, this information is included only for the awareness purposes. The analyst can take confidence in the fact that model has been properly implemented and the methods necessary for achieving accurate and efficient solutions have been incorporated. The most important method is the getStress function where the actual material model evaluation takes place. Obviously, all material models incorporate this function. The initialize function is included in most material models. The initialize function is called once at the beginning of an analysis and its primary purpose is to initialize the material state variables associated with the model. Many times, there is some information which can be set once per load step. For instance, we may have temperature dependent material properties in an analysis where temperature is prescribed. Instead of setting those parameters at each iteration in a time step, it is much more efficient to set them once per time step at the beginning of the step. These types of load step initializations are performed in the loadStepInit method. The final function used by many models is the pcElasticModuli method which changes the moduli that are to be used by the elastic preconditioner in Adagio. The moduli for the elastic preconditioner are set during the initialization of Adagio. Sometimes, better convergence can be achieved by changing these moduli for the elastic preconditioner. For instance, it typically helps to modify the preconditioner when the material model has temperature dependent moduli. For many material models, it is not necessary to change the values of the moduli that are set initially in the code. Hence, those models do not have pcElasticModuli functions. All four of these methods receive information from the matParams structure as described by Scherzinger and Hammerand.

  16. Structural traps 5

    SciTech Connect (OSTI)

    Foster, N.H.; Beaumont, E.A.

    1991-01-01T23:59:59.000Z

    This book contains studies of oil and gas fields that are mainly structural in nature. Stratigraphy controls the extend of the reservoir in the traps of several fields, but overall, the main trapping features within the group of fields in this volume are structural. Fields covered in this volume include: Endicott Field, Point Arguello Field, West Puerto Chiquito Field, Dukhan Field, Sendji Field, Ruston Field, Raudhatain Field, Hassi Messaoud Field, Snapper Field, Tirrawarra Field, and Sacha Field.

  17. Structured luminescence conversion layer

    DOE Patents [OSTI]

    Berben, Dirk; Antoniadis, Homer; Jermann, Frank; Krummacher, Benjamin Claus; Von Malm, Norwin; Zachau, Martin

    2012-12-11T23:59:59.000Z

    An apparatus device such as a light source is disclosed which has an OLED device and a structured luminescence conversion layer deposited on the substrate or transparent electrode of said OLED device and on the exterior of said OLED device. The structured luminescence conversion layer contains regions such as color-changing and non-color-changing regions with particular shapes arranged in a particular pattern.

  18. Chiral Interactions and Structures

    E-Print Network [OSTI]

    Randall D. Kamien

    1999-08-19T23:59:59.000Z

    The chiral structure of liquid crystalline phases arises due to the intrinsic chirality of the constituent mesogens. While it is seemingly straightforward to quantify the macroscopic chirality by using, for instance, the cholesteric pitch or the optical rotatory power, it is not as simple to quantify the chirality of a single molecule. I will discuss a systematic quantification of molecular chirality and show how the resulting chiral parameters may be used to predict macroscopic chiral structure.

  19. Structure function monitor

    DOE Patents [OSTI]

    McGraw, John T. (Placitas, NM); Zimmer, Peter C. (Albuquerque, NM); Ackermann, Mark R. (Albuquerque, NM)

    2012-01-24T23:59:59.000Z

    Methods and apparatus for a structure function monitor provide for generation of parameters characterizing a refractive medium. In an embodiment, a structure function monitor acquires images of a pupil plane and an image plane and, from these images, retrieves the phase over an aperture, unwraps the retrieved phase, and analyzes the unwrapped retrieved phase. In an embodiment, analysis yields atmospheric parameters measured at spatial scales from zero to the diameter of a telescope used to collect light from a source.

  20. Material model library for explicit numerical codes

    SciTech Connect (OSTI)

    Hofmann, R.; Dial, B.W.

    1982-08-01T23:59:59.000Z

    A material model logic structure has been developed which is useful for most explicit finite-difference and explicit finite-element Lagrange computer codes. This structure has been implemented and tested in the STEALTH codes to provide an example for researchers who wish to implement it in generically similar codes. In parallel with these models, material parameter libraries have been created for the implemented models for materials which are often needed in DoD applications.