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Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
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We encourage you to perform a real-time search of NLEBeta
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1

Light scattering and phase behavior of Lysozyme-PEG mixtures  

E-Print Network (OSTI)

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

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

2005-07-20T23:59:59.000Z

2

Econometric structural models : a model selection approach.  

E-Print Network (OSTI)

??Using a model selection approach, this thesis proposes a constructive data-and-theory-combined procedure to identify model structures in the framework of a linear simultaneous equations system… (more)

Chen, Pu

2002-01-01T23:59:59.000Z

3

SPAR Model Structural Efficiencies  

SciTech Connect

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

John Schroeder; Dan Henry

2013-04-01T23:59:59.000Z

4

Structural Materials Modeling  

Science Conference Proceedings (OSTI)

Mar 5, 2013 ... Sponsored by: TMS Materials Processing and Manufacturing Division, TMS ... Fei Gao2; Kiran Solanki3; Xin Sun2; 1Mississippi State University; 2PNNL; ... A Multiscale Metal/Hydride Mechanical Model for Used-Fuel Zircaloy ...

5

Structural Modelling with Sparse Kernels  

Science Conference Proceedings (OSTI)

A widely acknowledged drawback of many statistical modelling techniques, commonly used in machine learning, is that the resulting model is extremely difficult to interpret. A number of new concepts and algorithms have been introduced by researchers to ... Keywords: ANOVA, Kernel methods, model interpretability, sparse structure, transparency

S. R. Gunn; J. S. Kandola

2002-09-01T23:59:59.000Z

6

Cracking Molecular Structures with Bright Lights - and a Few Good Eggs |  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Cracking Molecular Structures with Bright Lights - and a Few Good Cracking Molecular Structures with Bright Lights - and a Few Good Eggs Cracking Molecular Structures with Bright Lights - and a Few Good Eggs June 22, 2012 - 11:04am Addthis This rendering shows a lysozyme structural model against its X-ray diffraction pattern from SLAC’s Linac Coherent Light Source (LCLS), a powerful X-ray laser facility. Researchers have achieved high-resolution images of these simple biomolecules using advanced crystallography at LCLS. | Photo by Anton Barty/DESY This rendering shows a lysozyme structural model against its X-ray diffraction pattern from SLAC's Linac Coherent Light Source (LCLS), a powerful X-ray laser facility. Researchers have achieved high-resolution images of these simple biomolecules using advanced crystallography at LCLS.

7

Time-dependent Protein-directed Growth of Gold Nanoparticles within a Single Crystal of Lysozyme  

SciTech Connect

Gold nanoparticles are useful in biomedical applications due to their distinct optical properties and high chemical stability. Reports of the biogenic formation of gold colloids from gold complexes has also led to an increased level of interest in the biomineralization of gold. However, the mechanism responsible for biomolecule-directed gold nanoparticle formation remains unclear due to the lack of structural information about biological systems and the fast kinetics of biomimetic chemical systems in solution. Here we show that intact single crystals of lysozyme can be used to study the time-dependent, protein-directed growth of gold nanoparticles. The protein crystals slow down the growth of the gold nanoparticles, allowing detailed kinetic studies to be carried out, and permit a three-dimensional structural characterization that would be difficult to achieve in solution. Furthermore, we show that additional chemical species can be used to fine-tune the growth rate of the gold nanoparticles.

H Wei; Z Wang; J Zhang; S House; Y Gao; L Yang; H Robinson; L Tan; H Xing; C Hou

2011-12-31T23:59:59.000Z

8

Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme  

SciTech Connect

Gold nanoparticles are useful in biomedical applications due to their distinct optical properties and high chemical stability. Reports of the biogenic formation of gold colloids from gold complexes has also led to an increased level of interest in the biomineralization of gold. However, the mechanism responsible for biomolecule-directed gold nanoparticle formation remains unclear due to the lack of structural information about biological systems and the fast kinetics of biomimetic chemical systems in solution. Here we show that intact single crystals of lysozyme can be used to study the time-dependent, protein-directed growth of gold nanoparticles. The protein crystals slow down the growth of the gold nanoparticles, allowing detailed kinetic studies to be carried out, and permit a three-dimensional structural characterization that would be difficult to achieve in solution. Furthermore, we show that additional chemical species can be used to fine-tune the growth rate of the gold nanoparticles.

Wei, H.; Robinson, H.; Wang, Z.; Zhang, J.; House, S.; Gao, Y.-G.; Yang, L.; Tan, L. H.; Xing, H.; Hou, C.; Robertson, I. M.; Zuo, J.-M.; Lu, Y.

2011-01-30T23:59:59.000Z

9

Bond Graph Modeling Of Variable Structure Systems  

E-Print Network (OSTI)

The problem of describing variable structure models in a compact, object--oriented fashion is revisited and analyzed from the perspective of bond graph modeling. Traditionally, bond graphs have always been used to describe continuous-- time physical processes with a fixed structure. Yet, this paper shall demonstrate that bond graphs are equally suitable to describe variable structure models as fixed structure models. Moreover, a bond graph description of variable structure models can teach us a lot about the essential properties of variable structure models, properties that are not easily visible when other modeling approaches are taken. The paper discusses issues related to causality reassignment and conditional index changes as a consequence of switching in a physical system. Keywords: Bond graphs, variable structure system, computational causality, conditional index change, switching, object--oriented modeling, Dymola. INTRODUCTION When the causality strokes were added to the forme...

François E. Cellier; Martin Otter; Hilding Elmqvist

1995-01-01T23:59:59.000Z

10

Modeling Fission Product Sorption in Graphite Structures  

SciTech Connect

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).

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

11

Coastal Structures Modeling Complex | Open Energy Information  

Open Energy Info (EERE)

Structures Modeling Complex Structures Modeling Complex Jump to: navigation, search Basic Specifications Facility Name Coastal Structures Modeling Complex Overseeing Organization United States Army Corp of Engineers (ERDC) Hydrodynamic Testing Facility Type Wave Basin Length(m) 54.9 Beam(m) 35.4 Depth(m) 1.4 Water Type Freshwater Cost(per day) Contact POC Towing Capabilities Towing Capabilities None Wavemaking Capabilities Wavemaking Capabilities Yes Maximum Wave Height(m) 0.3 Wave Period Range(s) 0.0 Current Velocity Range(m/s) 0.0 Programmable Wavemaking Yes Wave Direction Both Simulated Beach No Channel/Tunnel/Flume Channel/Tunnel/Flume None Wind Capabilities Wind Capabilities None Control and Data Acquisition Description Automated data acquisition and control system Cameras None

12

Feature extraction for structural dynamics model validation  

SciTech Connect

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.

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

13

Modeling interval order structures with partially commutative monoids  

Science Conference Proceedings (OSTI)

Interval order structures are useful tools to model abstract concurrent histories, i.e. sets of equivalent system runs, when system runs are modeled with interval orders. The paper shows how interval order structures can be modeled by partially ...

Ryszard Janicki; Xiang Yin; Nadezhda Zubkova

2012-09-01T23:59:59.000Z

14

STRUCTURE FORMATION IN THE SYMMETRON MODEL  

SciTech Connect

Scalar fields, strongly coupled to matter, can be present in nature and still be invisible to local experiments if they are subject to a screening mechanism. The symmetron is one such mechanism that relies on restoration of a spontaneously broken symmetry in regions of high density to shield the scalar fifth force. We have investigated structure formation in the symmetron model by using N-body simulations and find observable signatures in both the linear and nonlinear matter power spectrum and on the halo mass function. The mechanism for suppressing the scalar fifth force in high-density regions is also found to work very well.

Davis, Anne-Christine; Li Baojiu [DAMTP, Centre for Mathematical Sciences, University of Cambridge, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Mota, David F.; Winther, Hans A. [Institute of Theoretical Astrophysics, University of Oslo, 0315 Oslo (Norway)

2012-03-20T23:59:59.000Z

15

Component-Based Modelling of RNA Structure Folding  

Science Conference Proceedings (OSTI)

RNA structure is fundamentally important for many biological processes. In the past decades, diverse structure prediction algorithms and tools were developed but due to missing descriptions in clearly defined modelling formalisms it's difficult or even ... Keywords: DEVS, RNA folding, model components, multi-level, secondary structure

Carsten Maus

2008-10-01T23:59:59.000Z

16

Fast Flexible Modeling of RNA Structure Using Internal Coordinates  

Science Conference Proceedings (OSTI)

Modeling the structure and dynamics of large macromolecules remains a critical challenge. Molecular dynamics (MD) simulations are expensive because they model every atom independently, and are difficult to combine with experimentally derived knowledge. ... Keywords: Internal coordinate mechanics, molecular, structure, dynamics, RNA, modeling, prediction, linear, scaling.

Samuel Coulbourn Flores; Michael Sherman; Christopher M. Bruns; Peter Eastman; Russ B. Altman

2011-09-01T23:59:59.000Z

17

Ideal, real and virtual textile structure modelling and visualization  

Science Conference Proceedings (OSTI)

Usually the software for textile visualization uses ideal model based on simplified structure assumptions that may not be in a good agreement with reality. Real model reconstructs a small volume of structure from 2D parallel cuts. Proposed virtual model ... Keywords: FFT, OpenGL, VRML, image processing, virtual reality

Miloslav Kosek; Tomas Mikolanda; Bohumila Koskova

2004-11-01T23:59:59.000Z

18

Developing Models and Test Structures of Next-Generation ...  

Science Conference Proceedings (OSTI)

Abstract Scope, We are developing models and test structures of next-generation photovoltaics. In order to flexibly treat 2D and 3D nanostructures, with full ...

19

Metrologies for Protein Structure, Function, and Modeling  

Science Conference Proceedings (OSTI)

... Based on its established expertise, infrastructure, and resources for structure ... A primary aim of this program area is to ... Source of Extramural Funding: ...

2012-10-01T23:59:59.000Z

20

Vertical Velocity Structures in an Axisymmetric, Nonhydrostatic Tropical Cyclone Model  

Science Conference Proceedings (OSTI)

A statistical analysis of several experiments with different microphysical parameterizations in an axisymmetric, nonhydrostatic tropical cyclone model illustrates the impact of icc-phase microphysics on model vertical velocity structure. The ...

Stephen J. Lord; Jacqueline M. Lord

1988-05-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

Robust nite-di erence modelling of complex structures1  

E-Print Network (OSTI)

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

Cerveny, Vlastislav

22

Global models of document structure using latent permutations  

E-Print Network (OSTI)

We present a novel Bayesian topic model for learning discourse-level document structure. Our model leverages insights from discourse theory to constrain latent topic assignments in a way that reflects the underlying ...

Chen, Harr

23

Jet Structure and Scaling in Southern Ocean Models  

Science Conference Proceedings (OSTI)

The jet structure of the Antarctic Circumpolar Current (ACC) simulated by two general circulation models (GCMs), FRAM (Fine Resolution Antarctic Model) and POP (Parallel Ocean Program), is examined in relation to the bottom topography field. ...

B. Sinha; K. J. Richards

1999-06-01T23:59:59.000Z

24

Bayesian spatial models with a mixture neighborhood structure  

Science Conference Proceedings (OSTI)

In Bayesian disease mapping, one needs to specify a neighborhood structure to make inference about the underlying geographical relative risks. We propose a model in which the neighborhood structure is part of the parameter space. We retain the Markov ... Keywords: 62H11, 62H20, 62J12, 62M40, Disease mapping, Markov random field, Spatial hierarchical models

E. C. Rodrigues; R. Assunção

2012-08-01T23:59:59.000Z

25

Wind Turbine Investment and Disinvestment: A Structural Econometric Model  

E-Print Network (OSTI)

Wind Turbine Investment and Disinvestment: A Structural Econometric Model Jonathan A. Cook C model of wind turbine owners' decisions about whether and when to add new turbines to a pre profit structure for wind producers and evaluate the impact of technology and government policy on wind

Lin, C.-Y. Cynthia

26

Structural Modeling and Molecular Dynamics Simulation of the Actin Filament  

DOE Green Energy (OSTI)

Actin is a major structural protein of the eukaryotic cytoskeleton and enables cell motility. Here, we present a model of the actin filament (F-actin) that not only incorporates the global structure of the recently published model by Oda et al. but also conserves internal stereochemistry. A comparison is made using molecular dynamics simulation of the model with other recent F-actin models. A number of structural determents such as the protomer propeller angle, the number of hydrogen bonds, and the structural variation among the protomers are analyzed. The MD comparison is found to reflect the evolution in quality of actin models over the last 6 years. In addition, simulations of the model are carried out in states with both ADP or ATP bound and local hydrogen-bonding differences characterized.

Splettstoesser, Thomas [University of Heidelberg; Holmes, Kenneth [Max Planck Institute, Heidelberg, Germany; Noe, Frank [DFG Research Center Matheon, FU Berlin, Germany; Smith, Jeremy C [ORNL

2011-01-01T23:59:59.000Z

27

Merchant Commodity Storage and Term Structure Model Error  

E-Print Network (OSTI)

Merchants operations involves valuing and hedging the cash flows of commodity and energy conversion assets as real options based on stochastic models that inevitably embed model error. In this paper we quantify how empirically calibrated model errors about the futures price term structure affect the valuation and hedging of commodity storage assets, specifically the storage of natural gas, an important energy source. We also explore ways to mitigate the impact of these errors. Our analysis demonstrates the differential impact of term structure model error on natural gas storage valuation versus hedging. We also propose an effective approach to deal with the negative effect of such model error on factor hedging, a specific hedging approach. More generally, our work suggests managerial principles for option valuation and hedging in the presence of term structure model error. These principles should have relevance for the merchant management of other commodity conversion assets and for the management of financial options that also depend on term structure dynamics

Nicola Secom; Guoming Lai; François Margot; Alan Scheller-wolf

2011-01-01T23:59:59.000Z

28

The IMPACTT model: Structure and technical description  

SciTech Connect

The Integrated Market Penetration and Anticipated Cost of Transportation Technologies model, or IMPACTT, is a spreadsheet model that calculates the effect of advanced-technology vehicles and market penetration on baseline fuel use and emissions. Outputs include estimates of the quantity and value of oil displaced and emissions reduced by advanced-technology vehicles, the quantity of alternative fuels they consume, and the total incremental costs bome by purchasers of advanced-technology vehicles. In the current version of IMPACTT, up to eight fuel or engine technologies applicable to light-duty vehicles can be modeled by using a three-phase approach. First, the vehicle stock and miles traveled by the advanced-technology vehicle are determined. Second, assumptions about efficiency and fuel shares are used to estimate substitution-fuel use and oil displacement. Third, changes in emissions of carbon monoxide, non-methane hydrocarbons, nitrogen oxides, and carbon dioxide are computed.

Mintz, M.M.; Tompkins, M.M.; Camp, J.

1994-12-01T23:59:59.000Z

29

Experimental-based modeling of a support structure as part of a full system model  

SciTech Connect

Structural dynamic systems are often attached to a support structure to simulate proper boundary conditions during testing. In some cases the support structure is fairly simple and can be modeled by discrete springs and dampers. In other cases the desired test conditions necessitate the use of a support structural that introduces dynamics of its own. For such cases a more complex structural dynamic model is required to simulate the response of the full combined system. In this paper experimental frequency response functions, admittance function modeling concepts, and least squares reductions are used to develop a support structure model including both translational and rotational degrees of freedom at an attachment location. Subsequently, the modes of the support structure are estimated, and a NASTRAN model is created for attachment to the tested system.

CARNE,THOMAS G.; DOHRMANN,CLARK R.

2000-02-29T23:59:59.000Z

30

A Structural Model of Demand for Apprentices ?  

E-Print Network (OSTI)

It is a widely held opinion that apprenticeship training represents a net investment for training firms, and that therefore firms only train if they have the possibility to recoup these investments after the training period. A recent study using a new firm-level dataset for Switzerland showed, however, that for 60 percent of the firms, the apprenticeship training itself does not result in net cost. In this context it seems important to examine the question whether the potential net cost of training (during the training period) are a major determinant for the demand for apprentices. Different count data models, in particular hurdle models, are used to estimate the effect of net cost on the demand for apprentices. The results show that the net cost have a significant impact on the training decision but no significant influence on the demand for apprentices, once the firm has decided to train. For policy purposes, these results indicate that subsidies for firms that already train apprentices would not boost the demand for apprentices. JEL Classification: J24, C25

Samuel Mühlemann; Jürg Schweri; Rainer Winkelmann; Stefan C. Wolter

2005-01-01T23:59:59.000Z

31

Model for heat-up of structures in VICTORIA  

SciTech Connect

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

Bixler, N.E.

1993-12-01T23:59:59.000Z

32

Electromagnetic field radiation model for lightning strokes to tall structures  

SciTech Connect

This paper describes observation and analysis of electromagnetic field radiation from lightning strokes to tall structures. Electromagnetic field waveforms and current waveforms of lightning strokes to the CN Tower have been simultaneously measured since 1991. A new calculation model of electromagnetic field radiation is proposed. The proposed model consists of the lightning current propagation and distribution model and the electromagnetic field radiation model. Electromagnetic fields calculated by the proposed model, based on the observed lightning current at the CN Tower, agree well with the observed fields at 2km north of the tower.

Motoyama, H. [CRIEPI, Tokyo (Japan); Janischewskyj, W.; Hussein, A.M. [Univ. of Toronto, Ontario (Canada); Chisholm, W.A. [Ontario Hydro Technologies, Toronto, Ontario (Canada); Chang, J.S. [McMaster Univ., Hamilton, Ontario (Canada); Rusan, R.

1996-07-01T23:59:59.000Z

33

Wind parks equivalent models using system identification techniques based on nonlinear model structures  

Science Conference Proceedings (OSTI)

In this paper models of Wind Parks (WPs) appropriate for simulation purposes of large power systems with high wind power penetration are developed. The proposed models of the WPs are developed using system identification theory with NARX model structures. ... Keywords: modeling, system identification, wind integration, wind parks, wind turbines

F. D. Kanellos; G. J. Tsekouras; N. E. Mastorakis

2009-08-01T23:59:59.000Z

34

A geometric modelling framework for conceptual structural design from early digital architectural models  

Science Conference Proceedings (OSTI)

Computer support for conceptual structural design is still ineffective. This is due, in part, to the fact that current computer applications do not recognize that structural design and architectural design are highly interdependent processes, particularly ... Keywords: Architectural design, Conceptual structural design, Geometric modeling, Integrated design

Rodrigo Mora; Claude Bédard; Hugues Rivard

2008-04-01T23:59:59.000Z

35

A Preliminary Structural Model for the Blue Mountain Geothermal Field,  

Open Energy Info (EERE)

Structural Model for the Blue Mountain Geothermal Field, Structural Model for the Blue Mountain Geothermal Field, Humboldt County, Nevada Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: A Preliminary Structural Model for the Blue Mountain Geothermal Field, Humboldt County, Nevada Abstract The Blue Mountain geothermal field is a blind geothermalprospect (i.e., no surface hot springs) along the west flank of BlueMountain in southern Humboldt County, Nevada. Developmentwells in the system have high flow rates and temperatures above190°C at depths of ~600 to 1,070 m. Blue Mountain is a small~8-km-long east-tilted fault block situated between the EugeneMountains and Slumbering Hills. The geothermal field occupiesthe intersection between a regional NNE- to ENE-striking,west-dipping

36

Advances on statistical/thermodynamical models for unpolarized structure functions  

SciTech Connect

During the eights and nineties many statistical/thermodynamical models were proposed to describe the nucleons' structure functions and distribution of the quarks in the hadrons. Most of these models describe the compound quarks and gluons inside the nucleon as a Fermi / Bose gas respectively, confined in a MIT bag with continuous energy levels. Another models considers discrete spectrum. Some interesting features of the nucleons are obtained by these models, like the sea asymmetries {sup -}d/{sup -}u and {sup -}d-{sup -}u.

Trevisan, Luis A. [Departamento de Matematica e Estatistica, Universidade Estadual de Ponta Grossa, 84010-790, Ponta Grossa, PR (Brazil); Mirez, Carlos [Universidade Federal dos Vales do Jequitinhonha e Mucuri, Campus do Mucuri, 39803-371, Teofilo Otoni, Minas Gerais (Brazil); Tomio, Lauro [Instituto de Fisica Teorica, Universidade Estadual Paulista, R. Dr. Bento Teobaldo Ferraz 271, Bl II Barra Funda, 01140070, Sao Paulo, SP (Brazil)

2013-03-25T23:59:59.000Z

37

A no extensive statistical model for the nucleon structure function  

Science Conference Proceedings (OSTI)

We studied an application of nonextensive thermodynamics to describe the structure function of nucleon, in a model where the usual Fermi-Dirac and Bose-Einstein energy distribution were replaced by the equivalent functions of the q-statistical. The parameters of the model are given by an effective temperature T, the q parameter (from Tsallis statistics), and two chemical potentials given by the corresponding up (u) and down (d) quark normalization in the nucleon.

Trevisan, Luis A. [Departamento de Matematica e Estatistica, Universidade Estadual de Ponta Grossa, 84010-790, Ponta Grossa, PR (Brazil); Mirez, Carlos [Instituto de Ciencia, Engenharia e Tecnologia - ICET, Universidade Federal dos Vales do Jequitinhonha e Mucuri - UFVJM, Campus do Mucuri, Rua do Cruzeiro 01, Jardim Sao Paulo, 39803-371, Teofilo Otoni, Minas Gerais (Brazil)

2013-03-25T23:59:59.000Z

38

Application of a New Structural Model and Exploration Technologies to  

Open Energy Info (EERE)

New Structural Model and Exploration Technologies to New Structural Model and Exploration Technologies to Define a Blind Geothermal System: A Viable Alternative to Grid-Drilling for Geothermal Exploration: McCoy, Churchill County, NV Geothermal Project Jump to: navigation, search Last modified on July 22, 2011. Project Title Application of a New Structural Model and Exploration Technologies to Define a Blind Geothermal System: A Viable Alternative to Grid-Drilling for Geothermal Exploration: McCoy, Churchill County, NV Project Type / Topic 1 Recovery Act: Geothermal Technologies Program Project Type / Topic 2 Validation of Innovative Exploration Technologies Project Description The structural model is based on the role of subsurface igneous dikes providing a buttressing effect in a regional strain field such that permeability is greatly enhanced. The basic thermal anomaly at McCoy was defined by substantial U.S. Department of Energy-funded temperature gradient drilling and geophysical studies conducted during the period 1978 to 1982. This database will be augmented with modern magnetotelluric, controlled-source audio-magnetotelluric, and 2D/3D reflection seismic surveys to define likely fluid up-flow plumes that will be drilled with slant-hole technology. Two sites for production-capable wells will be drilled in geothermally prospective areas identified in this manner. The uniqueness of this proposal lies in the use of a full suite of modern geophysical tools, use of slant-hole drilling, and the extensive technical database from previous DOE funding.

39

An incremental structured part model for image classification  

Science Conference Proceedings (OSTI)

The state-of-the-art image classification methods usually require many training samples to achieve good performance. To tackle this problem, we present a novel incremental method in this paper, which learns a part model to classify objects using only ... Keywords: image classification, incremental learning, semantic parts, structural relationship

Huigang Zhang; Xiao Bai; Jian Cheng; Jun Zhou; Huijie Zhao

2012-11-01T23:59:59.000Z

40

Non-parametric modelling of a rectangular flexible plate structure  

Science Conference Proceedings (OSTI)

This research investigates the performance of dynamic modelling using non-parametric techniques for identification of a flexible structure system for development of active vibration control. In this paper, the implementation details are described and ... Keywords: ANFIS, Active vibration control, Flexible plate, Neural network, System identification

Intan Z. M. Darus; Ali A. M. Al-Khafaji

2012-02-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

A data modeling approach to the seamless information exchange among structured documents and databases  

Science Conference Proceedings (OSTI)

Keywords: data models, heterogeneous information resource management, multidatabase system, structured documents

Atsuyuki Morishima; Hiroyuki Kitagawa

1997-04-01T23:59:59.000Z

42

Structure-Based Predictive model for Coal Char Combustion.  

SciTech Connect

During the third quarter of this project, progress was made on both major technical tasks. Progress was made in the chemistry department at OSU on the calculation of thermodynamic properties for a number of model organic compounds. Modelling work was carried out at Brown to adapt a thermodynamic model of carbonaceous mesophase formation, originally applied to pitch carbonization, to the prediction of coke texture in coal combustion. This latter work makes use of the FG-DVC model of coal pyrolysis developed by Advanced Fuel Research to specify the pool of aromatic clusters that participate in the order/disorder transition. This modelling approach shows promise for the mechanistic prediction of the rank dependence of char structure and will therefore be pursued further. Crystalline ordering phenomena were also observed in a model char prepared from phenol-formaldehyde carbonized at 900{degrees}C and 1300{degrees}C using high-resolution TEM fringe imaging. Dramatic changes occur in the structure between 900 and 1300{degrees}C, making this char a suitable candidate for upcoming in situ work on the hot stage TEM. Work also proceeded on molecular dynamics simulations at Boston University and on equipment modification and testing for the combustion experiments with widely varying flame types at Ohio State.

Hurt, R.; Colo, J [Brown Univ., Providence, RI (United States). Div. of Engineering; Essenhigh, R.; Hadad, C [Ohio State Univ., Columbus, OH (United States). Dept. of Chemistry; Stanley, E. [Boston Univ., MA (United States). Dept. of Physics

1997-09-24T23:59:59.000Z

43

Structure-Based Predictive model for Coal Char Combustion.  

Science Conference Proceedings (OSTI)

During the second quarter of this project, progress was made on both major technical tasks. Three parallel efforts were initiated on the modeling of carbon structural evolution. Structural ordering during carbonization was studied by a numerical simulation scheme proposed by Alan Kerstein involving molecular weight growth and rotational mobility. Work was also initiated to adapt a model of carbonaceous mesophase formation, originally developed under parallel NSF funding, to the prediction of coke texture. This latter work makes use of the FG-DVC model of coal pyrolysis developed by Advanced Fuel Research to specify the pool of aromatic clusters that participate in the order/disorder transition. Boston University has initiated molecular dynamics simulations of carbonization processes and Ohio State has begun theoretical treatment of surface reactions. Experimental work has also begun on model compound studies at Brown and on pilot-scale combustion systems with widely varying flame types at OSE. The work on mobility / growth models shows great promise and is discussed in detail in the body of the report.

Hurt, R.; Calo, J. [Brown Univ., Providence, RI (United States). Div. of Engineering; Essenhigh, R.; Hadad, C. [Ohio State Univ., Columbus, OH (United States). Dept. of Chemistry; Stanley, E. [Boston Univ., MA (United States). Dept. of Physics

1997-06-25T23:59:59.000Z

44

Scientists model brain structure to help computers recognize objects  

NLE Websites -- All DOE Office Websites (Extended Search)

Do you see what I see? Do you see what I see? Scientists model brain structure to help computers recognize objects The team tried developing a computer model based on human neural structure and function, to do what we do, and possibly do it better. December 20, 2011 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials. Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials.

45

Structural Time Series Models and Trend Detection in Global and Regional Temperature Series  

Science Conference Proceedings (OSTI)

A unified statistical approach to identify suitable structural time series models for annual mean temperature is proposed. This includes a generalized model that can represent all the commonly used structural time series models for trend ...

Xiaogu Zheng; Reid E. Basher

1999-08-01T23:59:59.000Z

46

Structure Based Predictive Model for Coal Char Combustion  

SciTech Connect

This unique collaborative project has taken a very fundamental look at the origin of structure, and combustion reactivity of coal chars. It was a combined experimental and theoretical effort involving three universities and collaborators from universities outside the U.S. and from U.S. National Laboratories and contract research companies. The project goal was to improve our understanding of char structure and behavior by examining the fundamental chemistry of its polyaromatic building blocks. The project team investigated the elementary oxidative attack on polyaromatic systems, and coupled with a study of the assembly processes that convert these polyaromatic clusters to mature carbon materials (or chars). We believe that the work done in this project has defined a powerful new science-based approach to the understanding of char behavior. The work on aromatic oxidation pathways made extensive use of computational chemistry, and was led by Professor Christopher Hadad in the Department of Chemistry at Ohio State University. Laboratory experiments on char structure, properties, and combustion reactivity were carried out at both OSU and Brown, led by Principle Investigators Joseph Calo, Robert Essenhigh, and Robert Hurt. Modeling activities were divided into two parts: first unique models of crystal structure development were formulated by the team at Brown (PI'S Hurt and Calo) with input from Boston University and significant collaboration with Dr. Alan Kerstein at Sandia and with Dr. Zhong-Ying chen at SAIC. Secondly, new combustion models were developed and tested, led by Professor Essenhigh at OSU, Dieter Foertsch (a collaborator at the University of Stuttgart), and Professor Hurt at Brown. One product of this work is the CBK8 model of carbon burnout, which has already found practical use in CFD codes and in other numerical models of pulverized fuel combustion processes, such as EPRI's NOxLOI Predictor. The remainder of the report consists of detailed technical discussion organized into chapters whose organization is dictated by the nature of the research performed. Chapter 2 is entitled 'Experimental Work on Char Structure, Properties, and Reactivity', and focuses on fundamental structural studies at Brown using both phenollformaldehyde resin chars as model carbons and real coal chars. This work includes the first known in site high resolution TEM studies of carbonization processes, and some intriguing work on 'memory loss', a form of interaction between annealing and oxidation phenomena in chars. Chapter 3 entitled 'Computational Chemistry of Aromatic Oxidation Pathways' presents in detail the OSU work targeted at understanding the elementary molecular pathways of aromatic oxidation. Chapter 4 describes the 'Mesoscale Structural Models', using a combination of thermodynamic (equilibrium) approaches based on liquid crystal theory and kinetic simulations accounting for the effects of limited layer mobility in many fossil fuel derived carbons containing cross-linking agents. Chapter 5 entitled 'Combustion Modeling' presents work on extinction in the late stages of combustion and the development and features of the CBK8 model.

Robert Hurt; Joseph Calo; Robert Essenhigh; Christopher Hadad

2000-12-30T23:59:59.000Z

47

Modeling Structural Changes in Market Demand and Supply  

E-Print Network (OSTI)

Economic events may cause structural changes in markets. To know the effect of the economic event we should analyze the structural changes in the market demand and supply. The purpose of this dissertation is to analyze the effect of selected economic events on market demand and supply using econometric models. Structural changes can be modeled according to the types of changes. For an abrupt and instantaneous break, a dummy variable model can be used. For a smooth and gradual movement, proxy variables which represent the event can be applied, if we know the variables. If we don?t know the appropriate proxy variables, a smooth transition regression model can be employed. The BSE (Bovine Spongiform Encephalopathy) outbreak in the U.S. in 2003 is assumed to make abrupt and instantaneous changes in Korean meat consumption. To analyze the effect on Korean meat consumption, the Korean demands of beef, pork, chicken, and U.S. beef are estimated using an LA/AIDS (Linear Approximate Almost Ideal Demand System) model with the dummy variable specifying the time before and after the BSE. From the results we can confirm that food safety concerns caused by the BSE case changed Korean meat consumption structure. Korean beef and U.S. beef became less elastic, and pork and chicken got more elastic to budget. Korean beef became less price elastic, but pork and U.S. beef got more price elastic. The changes of U.S. natural gas supply caused by technology development and depletion in reserves are analyzed using a smooth transition regression model. From the results, we can confirm that the productivity improvement by technology development is greater than the labor cost increase by depletion, but not greater than the capital cost increase by depletion in mid-2000s. The effects of posting the winning bid in a repeated Vickrey auction are examined using a proxy variable. By applying an unobserved effect Tobit model to the experimental auction done by Corrigan and Rousu (2006) for a candy bar, we can confirm that the changes of bidding behavior are significant, especially when the winning bid is high. By extracting the bid affiliation effects, we showed that true willingness to pay can be estimated.

Park, Beom Su

2010-08-01T23:59:59.000Z

48

Structure formation in inhomogeneous Early Dark Energy models  

E-Print Network (OSTI)

We study the impact of Early Dark Energy fluctuations in the linear and non-linear regimes of structure formation. In these models the energy density of dark energy is non-negligible at high redshifts and the fluctuations in the dark energy component can have the same order of magnitude of dark matter fluctuations. Since two basic approximations usually taken in the standard scenario of quintessence models, that both dark energy density during the matter dominated period and dark energy fluctuations on small scales are negligible, are not valid in such models, we first study approximate analytical solutions for dark matter and dark energy perturbations in the linear regime. This study is helpful to find consistent initial conditions for the system of equations and to analytically understand the effects of Early Dark Energy and its fluctuations, which are also verified numerically. In the linear regime we compute the matter growth and variation of the gravitational potential associated with the Integrated Sach...

Batista, R C

2013-01-01T23:59:59.000Z

49

Creating suites of models with system entity structure: global warming example  

Science Conference Proceedings (OSTI)

We describe how to develop a suite of models in the MS4 Modeling Environment. The approach employs the operation of merging of System Entity Structures supported by the environment. After construction, the suite of models can be hosted on Model Store, ... Keywords: component-based modeling, suite of models, system entity structure, systems of systems

Bernard P. Zeigler, Chungman Seo, Robert Coop, Doohwan Kim

2013-04-01T23:59:59.000Z

50

Goa, India Soil-structure Interface Modelling: Influence of Impregnation  

E-Print Network (OSTI)

ABSTRACT: Information on the influence of impregnation of cementitious slurry at the soil-structure interface of bored cast in-situ foundation is inadequate in available literatures. Moreover, influence of such impregnation on negating the detrimental effects of smear zone, formed by construction tools, surrounding the borehole is also unknown. In classical foundation engineering, influences of smear and impregnation are neither considered as dependent functions in determining contributory or negative shaft resistances, nor in shaft and base resistance interaction. This ignorance contributes empiricism in bearing capacity evaluation recognising it as one of the possible causes of variation of field performance with respect to prediction. Solution to these problems has been explored through field and simulated laboratory studies of smear and impregnation, developing new device and technique. Further, an approach to interface modelling of soil-structure is presented considering impregnation. 1

D. Sarma; M. D Sarma

2008-01-01T23:59:59.000Z

51

Comparison of Arabinoxylan Structure in Bioenergy and Model Grasses  

NLE Websites -- All DOE Office Websites (Extended Search)

Arabinoxylan Arabinoxylan Structure in Bioenergy and Model Grasses Ameya R. Kulkarni, 1 Sivakumar Pattathil, 1 Michael G. Hahn, 1,2 William S. York, 1,3 and Malcolm A. O'Neill 1 1 Complex Carbohydrate Research Center and US Department of Energy BioEnergy Science Center, 2 Department of Plant Biology, and 3 Department of Biochemistry and Molecular Biology, University of Georgia, Athens, GA Abstract Heteroxylans were solubilized from the alcohol-insoluble residue of switchgrass, rice, Brachypodium, Miscanthus, foxtail millet, and poplar with 1 M KOH. A combination of enzymatic, chemical, nu- clear magnetic resonance (NMR), mass spectroscopic, and immu- nological techniques indicated that grass arabinoxylans have comparable structures and contain no discernible amount of the reducing end sequence present in dicot glucuronoxylan. Our data suggest that rice, Brachypodium, and foxtail

52

Phase structure in a chiral model of nuclear matter  

Science Conference Proceedings (OSTI)

The phase structure of symmetric nuclear matter in the extended Nambu-Jona-Lasinio (ENJL) model is studied by means of the effective potential in the one-loop approximation. It is found that chiral symmetry gets restored at high nuclear density and a typical first-order phase transition of the liquid-gas transition occurs at zero temperature, T=0, which weakens as T grows and eventually ends up with a second-order critical point at T=20 MeV. This phase transition scenario is confirmed by investigating the evolution of the effective potential versus the effective nucleon mass and the equation of state.

Phat, Tran Huu [Vietnam Atomic Energy Commission, 59 Ly Thuong Kiet, Hanoi (Viet Nam); Dong Do University, 8 Nguyen Cong Hoan, Hanoi (Viet Nam); Anh, Nguyen Tuan [Electric Power University, 235 Hoang Quoc Viet, Hanoi (Viet Nam); Tam, Dinh Thanh [University of Taybac, Sonla (Viet Nam); Vietnam Atomic Energy Commission, 59 Ly Thuong Kiet, Hanoi (Viet Nam)

2011-08-15T23:59:59.000Z

53

STRUCTURE BASED PREDICTIVE MODEL FOR COAL CHAR COMBUSTION  

SciTech Connect

This report is part on the ongoing effort at Brown University and Ohio State University to develop structure based models of coal combustion. A very fundamental approach is taken to the description of coal chars and their reaction processes, and the results are therefore expected to have broad applicability to the spectrum of carbon materials of interest in energy technologies. This quarter, the project was in a period no-cost extension and discussions were held about the end phase of the project and possible continuations. The technical tasks were essentially dormant this period, but presentations of results were made, and plans were formulated for renewed activity in the fiscal year 2001.

Robert Hurt; Joseph Calo; Robert Essenhigh; Christopher Hadad

2001-06-15T23:59:59.000Z

54

A strategic model using structural equation modeling and fuzzy logic in supplier selection  

Science Conference Proceedings (OSTI)

Supplier selection attained the state of paramount importance for companies in the current scenario because of increasing global competition. Improper selection of suppliers will have an adverse impact on the overall performance of the company. The number ... Keywords: Fuzzy analytic hierarchy process, Sensitivity analysis, Structural equation modeling (SEM)

M. Punniyamoorthy; P. Mathiyalagan; P. Parthiban

2011-01-01T23:59:59.000Z

55

A transfer model using a typed feature structure rewriting system with inheritance  

Science Conference Proceedings (OSTI)

We propose a model for transfer in machine translation which uses a rewriting system for typed feature structures. The grammar definitions describe transfer relations which are applied on the input structure (a typed feature structure) by the ...

Rémi Zajac

1989-06-01T23:59:59.000Z

56

Reduced Order Structural Modeling of Wind Turbine Blades  

E-Print Network (OSTI)

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 using beam models. The accuracy in the predictions of the structural behavior using beam models depends on the accuracy in the prediction of their effective section properties. Several techniques were proposed in the literature for predicting the effective section properties. Most of these existing techniques have limitations because of the assumptions made in their approaches. Two generalized beam theories, Generalized Timoshenko and Generalized Euler-Bernoulli, for the static analysis based on the principles of the simple 1D-theories are developed here. Homogenization based on the strain energy equivalence principle is employed to predict the effective properties for these generalized beam theories. Two efficient methods, Quasi-3D and Unit Cell, are developed which can accurately predict the 3D deformations in beams under the six fundamental deformation modes: extension, two shears, torsion and two flexures. These methods help in predicting the effective properties using the homogenization technique. Also they can recover the detailed 3D deformations from the predictions of 1D beam analysis. The developed tools can analyze two types of slender members 1) slender members with invariant geometric features along the length and 2) slender members with periodically varying geometric features along the length. Several configurations were analyzed for the effective section properties and the predictions were validated using the expensive 3D analysis, strength of materials and Variational Asymptotic Beam Section Analysis (VABS). The predictions from the new tools showed excellent agreement with full 3D analysis. The predictions from the strength of materials showed disagreement in shear and torsional properties. Explanations for the same are provided recalling the assumptions made in the strength of materials approach.

Jonnalagadda, Yellavenkatasunil

2011-08-01T23:59:59.000Z

57

Interactions of proteins in aqueous ammonium-sulfate solutions:Mixtures of lysozyme and ovalbumin  

Science Conference Proceedings (OSTI)

We present a three-dimensional, time-dependent simulation of a laboratory-scale rod-stabilized premixed turbulent V-flame. The simulations are performed using an adaptive time-dependent low Mach number model with detailed chemical kinetics and a mixture model for differential species diffusion. The algorithm is based on a second-order projection formulation and does not require an explicit sub grid model for turbulence or turbulence chemistry interaction. Adaptive mesh refinement is used to dynamically resolve the flame and turbulent structures. Here, we briefly discuss the numerical procedure and present detailed comparisons with experimental measurements showing that the computation is able to accurately capture the basic flame morphology and associated mean velocity field. Finally, we discuss key issues that arise in performing these types of simulations and the implications of these issues for using computation to form a bridge between turbulent flame experiments and basic combustion chemistry.

Anderson, Camille O.; Prausnitz, John M.; Blanch, Harvey W.

2001-11-10T23:59:59.000Z

58

Analytical modeling and parameter extraction of top and bottom contact structures of organic thin film transistors  

Science Conference Proceedings (OSTI)

This paper proposes a structure based model of an organic thin film transistor (OTFT) and analyzes its device physics. The analytical model is developed for the top contact structure by mapping the overlap region to the resistance (in the vertical direction) ... Keywords: Analytical modeling, Contact resistance, Organic thin film transistor, Overlap region, Parameter extraction, Top and bottom contact structure, Vertical resistance

Brijesh Kumar, B. K. Kaushik, Y. S. Negi, S. Saxena, G. D. Varma

2013-09-01T23:59:59.000Z

59

STRUCTURE-BASED PREDICTIVE MODEL FOR COAL CHAR COMBUSTION  

Science Conference Proceedings (OSTI)

During the past quarter of this project, significant progress continued was made on both major technical tasks. Progress was made at OSU on advancing the application of computational chemistry to oxidative attack on model polyaromatic hydrocarbons (PAHs) and graphitic structures. This work is directed at the application of quantitative ab initio molecular orbital theory to address the decomposition products and mechanisms of coal char reactivity. Previously, it was shown that the ?hybrid? B3LYP method can be used to provide quantitative information concerning the stability of the corresponding radicals that arise by hydrogen atom abstraction from monocyclic aromatic rings. In the most recent quarter, these approaches have been extended to larger carbocyclic ring systems, such as coronene, in order to compare the properties of a large carbonaceous PAH to that of the smaller, monocyclic aromatic systems. It was concluded that, at least for bond dissociation energy considerations, the properties of the large PAHs can be modeled reasonably well by smaller systems. In addition to the preceding work, investigations were initiated on the interaction of selected radicals in the ?radical pool? with the different types of aromatic structures. In particular, the different pathways for addition vs. abstraction to benzene and furan by H and OH radicals were examined. Thus far, the addition channel appears to be significantly favored over abstraction on both kinetic and thermochemical grounds. Experimental work at Brown University in support of the development of predictive structural models of coal char combustion was focused on elucidating the role of coal mineral matter impurities on reactivity. An ?inverse? approach was used where a carbon material was doped with coal mineral matter. The carbon material was derived from a high carbon content fly ash (Fly Ash 23 from the Salem Basin Power Plant. The ash was obtained from Pittsburgh #8 coal (PSOC 1451). Doped samples were then burned in a high temperature flame reactor fitted with rapid quench extractive sampling. It was found that the specific reaction rate decreased with increasing ash content by about an order of magnitude over the ash content range investigated. In this case, it was concluded that at least one of the primary reasons for the resultant observation was that an increasing amount of carbon becomes inaccessible to oxygen by being covered with a fused, ?protective,? ash layer. Progress continued on equipment modification and testing for the combustion experiments with widely varying flame types at OSU.

CHRISTOPHER M. HADAD; JOSEPH M. CALO; ROBERT H. ESSENHIGH; ROBERT H. HURT

1998-06-04T23:59:59.000Z

60

STRUCTURE-BASED PREDICTIVE MODEL FOR COAL CHAR COMBUSTION  

SciTech Connect

This report is part on the ongoing effort at Brown University and Ohio State University to develop structure based models of coal combustion. A very fundamental approach is taken to the description of coal chars and their reaction processes, and the results are therefore expected to have broad applicability to the spectrum of carbon materials of interest in energy technologies. This quarter, our work on structure development in carbons continued. A combination of hot stage in situ and ex situ polarized light microscopy was used to identify the preferred orientational of graphene layers at gas interfaces in pitches used as carbon material precursors. The experiments show that edge-on orientation is the equilibrium state of the gas/pitch interface, implying that basal-rich surfaces have higher free energies than edge-rich surfaces in pitch. This result is in agreement with previous molecular modeling studies and TEM observations in the early stages of carbonization. The results may have important implications for the design of tailored carbons with edge-rich or basal-rich surfaces. In the computational chemistry task, we have continued our investigations into the reactivity of large aromatic rings. The role of H-atom abstraction as well as radical addition to monocyclic aromatic rings has been examined, and a manuscript is currently being revised after peer review. We have also shown that OH radical is more effective than H atom in the radical addition process with monocyclic rings. We have extended this analysis to H-atom and OH-radical addition to phenanthrene. Work on combustion kinetics focused on the theoretical analysis of the data previously gathered using thermogravametric analysis.

Robert H. Hurt; Eric M. Suuberg

2000-05-03T23:59:59.000Z

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61

STRUCTURE-BASED PREDICTIVE MODEL FOR COAL CHAR COMBUSTION  

Science Conference Proceedings (OSTI)

Progress was made this period on a number of tasks. A significant advance was made in the incorporation of macrostructural ideas into high temperature combustion models. Work at OSU by R. Essenhigh in collaboration with the University of Stuttgart has led to a theory that the zone I / II transition in char combustion lies within the range of conditions of interest for pulverized char combustion. The group has presented evidence that some combustion data, previously interpreted with zone II models, in fact takes place in the transition from zone II to zone 1. This idea was used at Brown to make modifications to the CBK model (a char kinetics package specially designed for carbon burnout prediction, currently used by a number of research and furnace modeling groups in academia and industry). The resulting new model version, CBK8, shows improved ability to predict extinction behavior in the late stages of combustion, especially for particles with low ash content. The full development and release of CBK8, along with detailed descriptions of the role of the zone 1/2 transition will be reported on in subsequent reports. ABB-CE is currently implementing CBK7 into a special version of the CFD code Fluent for use in the modeling and design of their boilers. They have been appraised of the development, and have expressed interest in incorporating the new feature, realizing full CBK8 capabilities into their combustion codes. The computational chemistry task at OSU continued to study oxidative pathways for PAH, with emphasis this period on heteroatom containing ring compounds. Preliminary XPS studies were also carried out. Combustion experiments were also carried out at OSU this period, leading to the acquisition of samples at various residence times and the measurement of their oxidation reactivity by nonisothermal TGA techniques. Several members of the project team attended the Carbon Conference this period and made contacts with representatives from the new FETC Consortium for Premium Carbon Products from Coal. Possibilities for interactions with this new center will be explored. Also this period, an invited review paper was prepared for the 27th International Symposium on Combustion, to be held in Boulder, Colorado in August. The paper is entitled; "Structure, Properties, and Reactivity of Solid Fuels," and reports on a number of advances made in this collaborative project.

CHRISTOPHER M. HADAD; JOSEPH M. CALO; ROBERT H. ESSENHIGH; ROBERT H. HURT

1998-09-11T23:59:59.000Z

62

Evaluation of Operational Model Cyclone Structure Forecasts during Extratropical Transition  

Science Conference Proceedings (OSTI)

Cyclone structure is known to be directly linked to the sensible weather effects produced by the weather system. The extratropical transition (ET) process leads to immense changes in cyclone structure and therefore to changes in the associated ...

Jenni L. Evans; Justin M. Arnott; Francesca Chiaromonte

2006-11-01T23:59:59.000Z

63

Recovery of 3D Solar Magnetic Field Model Parameter Using Image Structure Matching  

Science Conference Proceedings (OSTI)

An approach to recover a 3D solar magnetic field model parameter using intensity images of the Sun's corona is introduced. The approach is a quantitative approach in which the 3D model parameter is determined via an image structure matching scheme. The ... Keywords: 3D Parameter Recovery, Image-based Modeling, Structure Matching

Jong Kwan Lee; G. Allen Gary

2009-05-01T23:59:59.000Z

64

Modeling proteins, making scientists : an ethnography of pedagogy and visual cultures in contemporary structural biology  

E-Print Network (OSTI)

This ethnography tracks visualization and pedagogy in the burgeoning field of structural biology. Structural biologists are a multidisciplinary group of researchers who produce models and animations of protein molecules ...

Myers, Natasha

2007-01-01T23:59:59.000Z

65

Causes and explanations in the structural-model approach: Tractable cases  

Science Conference Proceedings (OSTI)

This paper continues the research on the computational aspects of Halpern and Pearl's causes and explanations in the structural-model approach. To this end, we first explore how an instance of deciding weak cause can be reduced to an equivalent instance ... Keywords: ?-partial explanation, Actual cause, Blame, Computational complexity, Explanation, Explanatory power, Partial explanation, Probabilistic structural causal model, Responsibility, Structural causal model, Tractability, Weak cause

Thomas Eiter; Thomas Lukasiewicz

2006-05-01T23:59:59.000Z

66

Entropy in Climate Models. Part I: Vertical Structure of Atmospheric Entropy Production  

Science Conference Proceedings (OSTI)

The vertical atmospheric entropy structure has been investigated using one-dimensional radiative–convective models. A method for evaluating radiation entropy is proposed. In the models, the entropy radiation is dealt with in a way parallel to the ...

J. Li; Petr Chýlek; G. B. Lesins

1994-06-01T23:59:59.000Z

67

A Stochastic-Dynamic Model for the Spatial Structure of Forecast Error Statistics  

Science Conference Proceedings (OSTI)

A simple model that yields the spatial correlation structure of global atmospheric mass-field forecast errors is derived. The model states that the relative potential vorticity of the forecast error is forced by spatially multi-dimensional white ...

R. Balgovind; A. Dalcher; M. Ghil; E. Kalnay

1983-04-01T23:59:59.000Z

68

Model studies of the structures, reactivities, and reaction mechanisms of metalloenzymes  

Science Conference Proceedings (OSTI)

Electronic structure theory, which in recent years has been actively and effectively applied to the modeling of chemical reactions involving transition-metal complexes, is now also being applied to the modeling of biological processes involving metalloenzymes. ...

K. Morokuma; D. G. Musaev; T. Vreven; H. Basch; M. Torrent; D. V. Khoroshun

2001-05-01T23:59:59.000Z

69

Maintenance of the stratospheric structure in an idealized general circulation model  

Science Conference Proceedings (OSTI)

We explore the maintenance of the stratospheric structure in a primitive equation model that is forced by a Newtonian cooling with a prescribed radiative equilibrium temperature field. Models such as this are well suited to analyze and address ...

M. Jucker; S. Fueglistaler; G. K. Vallis

70

Thermohaline Structure in the Subarctic North Pacific Simulated in a General Circulation Model  

Science Conference Proceedings (OSTI)

The Miami Isopycnic Coordinate Ocean Model configured with 1° horizontal resolution and 23 layers is used to examine processes that maintain the mesothermal structure, a subsurface temperature inversion, in the subarctic North Pacific. The model ...

Takahiro Endoh; Humio Mitsudera; Shang-Ping Xie; Bo Qiu

2004-02-01T23:59:59.000Z

71

Modeling and Simulation of Process-Structure-Property of ...  

Science Conference Proceedings (OSTI)

First Principles Modeling of Shape Memory Alloy Magnetic Refrigeration Materials ... Different Generations of Gamma Prime Precipitates in a Commercial Nickel ...

72

Modeling of the thermal degradation of structural wood ...  

Science Conference Proceedings (OSTI)

... 37. Koufopanos C, Papayannakos N. Modeling the pyrolysis of biomass particles: studies on kinetics, thermal and heat transfer effects. ...

2005-02-01T23:59:59.000Z

73

Modeling of Magnetic and Structural Phase Transformations in Co ...  

Science Conference Proceedings (OSTI)

Symposium, Magnetic Materials for Energy Applications -III. Presentation Title, Modeling ... Advances in Rare-earth Free Permanent Magnets · Anisotropic Curie

74

Modelling of nonlinear behaviour of masonry structures: phenomenological approach  

Science Conference Proceedings (OSTI)

This paper deals with modeling of mechanical behavior of masonry walls submitted to in-plane loading. The adopted strategy consists of modelling separately the appropriate local failure mechanisms of brick units and mortar joints. A particular attention ... Keywords: displacement discontinuities, masonry, multisurface plasticity, numerical modeling

J. B. Colliat; L. Davenne; A. Ibrahimbegovi?

2002-09-01T23:59:59.000Z

75

Automatic Building of Structured Geological Models Sylvain Brandel1  

E-Print Network (OSTI)

geological models used for oil and gas exploration. We present a prototype of a "geological pilot" which Modeling for oil and gas exploration Hydrocarbon reservoir models are a major tool currently used involved in oil and gas exploration have acquired a huge amount of seismic data, which are neither

Brandel, Sylvain

76

Exploring social structure effect on language evolution based on a computational model  

Science Conference Proceedings (OSTI)

A compositionality-regularity coevolution model is adopted to explore the effect of social structure on language emergence and maintenance. Based on this model, we explore language evolution in three experiments, and discuss the role of a popular agent ... Keywords: computational simulation, language evolution, power-law distribution, social structure

Tao Gong; James W. Minett; William S. -Y. Wang

2008-06-01T23:59:59.000Z

77

A new coupled fluid-structure modeling methodology for running ductile fracture  

Science Conference Proceedings (OSTI)

A coupled fluid-structure modeling methodology for running ductile fracture in pressurized pipelines has been developed. The pipe material and fracture propagation have been modeled using the finite-element method with a ductile fracture criterion. The ... Keywords: CFD, FEM, Fluid-structure, Fracture, Leak, Pipeline

H. O. Nordhagen; S. Kragset; T. Berstad; A. Morin; C. Dørum; S. T. Munkejord

2012-03-01T23:59:59.000Z

78

Diffusion Follows Structure ¾ A Network Model of the Software  

Science Conference Proceedings (OSTI)

By conducting simulations, we show that the structure of the personal networks significantly influences the diffusion processes in network effect markets like the software market. Varying connectivity (number of links to other participants), the heterogeneity ...

Falk v. Westarp; Oliver Wendt

2000-01-01T23:59:59.000Z

79

Modelling structured domains using description graphs and logic programming  

Science Conference Proceedings (OSTI)

Although OWL 2 is widely used to describe complex objects such as chemical molecules, it cannot represent ‘structural' features of chemical entities (e.g., having a ring). A combination of rules and description graphs (DGs) has been proposed ...

Despoina Magka; Boris Motik; Ian Horrocks

2012-05-01T23:59:59.000Z

80

Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling  

SciTech Connect

Clostridium botulinum neurotoxins are classified as Category A bioterrorism agents by the Centers for Disease Control and Prevention (CDC). The seven serotypes (A-G) of the botulinum neurotoxin, the causative agent of the disease botulism, block neurotransmitter release by specifically cleaving one of the three SNARE (soluble N-ethylmaleimide-sensitive factor attachment protein receptor) proteins and induce flaccid paralysis. Using a structure-based drug-design approach, a number of peptide inhibitors were designed and their inhibitory activity against botulinum serotype A (BoNT/A) protease was determined. The most potent peptide, RRGF, inhibited BoNT/A protease with an IC{sub 50} of 0.9 {micro}M and a K{sub i} of 358 nM. High-resolution crystal structures of various peptide inhibitors in complex with the BoNT/A protease domain were also determined. Based on the inhibitory activities and the atomic interactions deduced from the cocrystal structures, the structure-activity relationship was analyzed and a pharmacophore model was developed. Unlike the currently available models, this pharmacophore model is based on a number of enzyme-inhibitor peptide cocrystal structures and improved the existing models significantly, incorporating new features.

Kumar G.; Swaminathan S.; Kumaran, D.; Ahmed, S. A.

2012-05-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

Structuring of Large-scale Complex Hybrid Systems: from Illustrative Analysis toward Modelization  

Science Conference Proceedings (OSTI)

System structuring is paramount to the development of large-scale complex hybrid systems (LCHS). However, there is no well-established and effective methodology for the structuring of LCHS. Using the approach of illustrating and abstracting, this paper ... Keywords: autonomous system, block-diagram-based model, distributed system, hierarchical system, large-scale complex hybrid system (LCHS), multiple gradation, nested system, nesting, perception–decision link, system geometry, system modelization, system structuring

Huaglory Tianfield

2001-02-01T23:59:59.000Z

82

Modeling and Characterization of Structure at or Near Grain ...  

Science Conference Proceedings (OSTI)

Oct 29, 2013... moderate ductility) opens the doors to new applications for these materials. ... The described model increases the mobility and decreases the ...

83

Bayesian model averaging using k-best bayesian network structures.  

E-Print Network (OSTI)

??Bayesian networks are being widely used in various data mining tasks for probabilistic inference and causual modeling [Pearl (2000), Spirtes et al. (2001)]. Learning the… (more)

Ram, Lavanya

2010-01-01T23:59:59.000Z

84

RESISTIVITY MODELING FOR ARBITRARILY SHAPED THREE-DIMENSIONAL STRUCTURES  

E-Print Network (OSTI)

Full utilization of the electrical resistivity method ingeologic models for electrical resistivity applications, theResistivity In electrical resistivity surveys a current

Dey, Abhijit

2011-01-01T23:59:59.000Z

85

Recent advances in modeling fission cross sections over intermediate structures  

SciTech Connect

More accurate fission cross section calculations in presence of underlying intermediate structure are strongly desired. This paper recalls the common approximations used below the fission threshold and quantifies their impact. In particular, an exact expanded R-matrix Monte Carlo calculation of the intermediate structure, deeply mixed with the fluctuations of the class-I and II decay amplitudes, is shown. This paper also insists on the microscopic structure of the level densities as a function of the nucleus deformation and show preliminary neutron induced fission cross section calculations for {sup 239}Pu and {sup 240}Pu using newly calculated combinatorial level densities. Comparisons with recent evaluated and measured fission cross sections are made.

Bouland, Olivier [Los Alamos National Laboratory; Lynn, J. Eric [Los Alamos National Laboratory; Talou, Patrick [Los Alamos National Laboratory

2009-01-01T23:59:59.000Z

86

Bottom-up generative modeling of tree-structured data  

Science Conference Proceedings (OSTI)

We introduce a compositional probabilistic model for treestructured data that defines a bottom-up generative process from the leaves to the root of a tree. Contextual state transitions are introduced from the joint configuration of the children to the ...

Davide Bacciu; Alessio Micheli; Alessandro Sperduti

2010-11-01T23:59:59.000Z

87

Stochastic Modeling of Solidification Structure in Alloy 718 Remelt ...  

Science Conference Proceedings (OSTI)

Figure 1 - Flow diagram showing modeling requirements for secondary ... and heat transfer during the ingot solidification process, (2) a stochastic ..... and Advanced Solidification Processes, edited by M. Cross and J. Campbell, TMS, 1995, pp.

88

Computational tools for modeling and measuring chromosome structure  

E-Print Network (OSTI)

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 ...

Ross, Brian Christopher

2012-01-01T23:59:59.000Z

89

Graphene nanoribbon conductance model in parabolic band structure  

Science Conference Proceedings (OSTI)

Many experimental measurements have been done on GNR conductance. In this paper, analytical model of GNR conductance is presented. Moreover, comparison with published data which illustrates good agreement between them is studied. Conductance of GNR as ...

Mohammad Taghi Ahmadi; Zaharah Johari; N. Aziziah Amin; Amir Hossein Fallahpour; Razali Ismail

2010-01-01T23:59:59.000Z

90

Multiscale Modeling of Ingot Solidification Structure Controlled by ...  

Science Conference Proceedings (OSTI)

Direct Numerical Simulation of Inclusion Turbulent Deposition at Liquid ... Flow and Shrinkage Pipe Formation on Macrosegregation of Investment Cast -TiAl Alloys ... Numerical Modeling of the Interaction between a Foreign Particle an ...

91

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

E-Print Network (OSTI)

language that resembles mathematical notation, and offer convenient ..... Therefore, it is fundamental that the way a stochastic programming problem ..... [ 14] E. Fragni`ere and J. Gondzio, Optimization modeling languages, in Handbook of Ap-.

92

Analytic Models for the Mechanical Structure of the Solar Core  

E-Print Network (OSTI)

All stars exhibit universal central behavior in terms of new homology variables (u,w). In terms of these variables, we obtain simple analytic fits to numerical standard solar models for the core and radiative zones of the ZAMS and present Suns, with a few global parameters. With these analytic fits, different theoretical models of the solar core, neutrino fluxes, and helioseismic observations can be parametrized and compared.

Dallas C. Kennedy; Sidney A. Bludman

1998-12-09T23:59:59.000Z

93

High dimensional model representation based formulations for fuzzy finite element analysis of structures  

Science Conference Proceedings (OSTI)

This paper presents a practical approach based on high dimensional model representation (HDMR) for analyzing the response of structures with fuzzy parameters. The proposed methodology involves integrated finite element modeling, HDMR based response surface ... Keywords: Explicit formulation, Finite element, Fuzzy analysis, High dimensional model representation, Implicit formulation, Response surface

A. S. Balu; B. N. Rao

2012-03-01T23:59:59.000Z

94

Dynamical modeling of transport in MOS structures containing silicon nanocrystals for memory applications  

Science Conference Proceedings (OSTI)

A compact model that can be used to reproduce both quasi-static and dynamic characteristics of basic MOS cells with embedded Si-nc is presented. The structure is modeled through a device-like complex matrix of tunnel junctions, resulting in a time-dependent ... Keywords: Flash memories, Nanocrystals, Nonvolatile memories, Silicon, Silicon nanocrystals, Transport modeling

Josep Carreras; O. Jambois; M. Perálvarez; Y. Lebour; B. Garrido

2008-12-01T23:59:59.000Z

95

Colloids and Surfaces B: Biointerfaces 38 (2004) 6776 Calorimetric and structural investigation of the interaction of lysozyme  

E-Print Network (OSTI)

Carlo simulations [27]. If we have very low particle concentration, we can assume as a first ap, D. Berling, N. Markova, M. Molund, Thermochim. Acta 347 (2000) 31. [24] A. Nag, G. Mitra, P.C. Ghosh. Macromol. 12 (1990) 263. [32] F.P. Schwarz, Thermochim. Acta 147 (1989) 71. [33] S. Cinelli, A. De

Loh, Watson

96

Mathematical modeling of irreversible dynamic deformation, micro- and macrofracture of materials and structures  

National Nuclear Security Administration (NNSA)

7: Material Phase Transition, Modeling, and Others 7: Material Phase Transition, Modeling, and Others Mathematical Modeling of Irreversible Dynamic Deformation, Micro- and Macrofracture of Materials and Structures P. P. Zakharov and A. B. Kiselev All-Russia Research Institute of Automatics, Moscow 125412, Russia Thermomechanical processes, which proceed in deformable solids under intensive dynamic loading, consist of mechanical, thermal and structural ones, which correlate themselves. The structural processes involve the formation, motion and interaction of defects in metallic crystals, phase transitions, the breaking of bonds between molecules in polymers, the accumulation of microstructural damages (pores, cracks), etc. Irreversible deformations, zones of adiabatic shear and microfractures are caused by these

97

Upper bound limit analysis model for FRP-reinforced masonry curved structures. Part II: Structural analyses  

Science Conference Proceedings (OSTI)

A homogenized full 3D limit analysis model for the evaluation of collapse loads of FRP-reinforced masonry vaults is presented. Six-noded rigid infinitely resistant wedges are used to model masonry. Three-noded rigid infinitely resistant triangles are ... Keywords: FRP-reinforcement, Homogenization, Kinematic approach, Limit analysis, Masonry, Vaults

Gabriele Milani; Enrico Milani; Antonio Tralli

2009-12-01T23:59:59.000Z

98

Hyper and structural Markov laws for graphical models  

E-Print Network (OSTI)

.1 Notation and definitions Throughout the chapter, (X, Y) will be a single joint observation from the specified model, and (X(n), Y(n)) to be a sequence of n such independent observations. p will be the density of the model (with respect to the appro- priate... to denote the density of the prior law, and pipro and piret to denote the densities of the posterior laws £pro and £ret under prospective and retrospective likelihoods, respectively: pipro(?, ? | x(n), y(n)) ? pi(?, ?) p(y(n) | x(n), ?, ?) piret(?X|Y=0, ?...

Byrne, Simon

2012-03-06T23:59:59.000Z

99

Structure-Based Predictive Model for Coal Char Combustion  

Science Conference Proceedings (OSTI)

Progress was made this period on a number of separate experimental and modelling activities. At Brown, the models of carbon nanostructure evolution were expanded to consider high-rank materials with initial anisotropy. The report presents detailed results of Monte Carlo simulations with non-zero initial layer length and with statistically oriented initial states. The expanded simulations are now capable of describing the development of nanostructure during carbonization of most coals. Work next quarter will address the remaining challenge of isotropic coke-forming coals. Experiments at Brown yielded important data on the "memory loss" phenomenon in carbon annealing, and on the effect of mineral matter on high-temperature reactivity. The experimental aspects of the Brown work will be discussed in detail in the next report.

Christopher Hadad; Joseph Calo; Robert Essenhigh; Robert Hurt

1998-04-08T23:59:59.000Z

100

Tropical Intraseasonal Oscillations Appearing in a GFDL General Circulation Model and FGGE Data. Part II: Structure  

Science Conference Proceedings (OSTI)

Space-time spectral and filter analyses are made of the structure of the tropical intraseasonal oscillations appearing in a GFDL 30-wavenumber spectral general circulation model and the FGGE IIIb data set.

Y. Hayashi; D. G. Golder

1988-11-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

Entropy in Climate Models. Part II: Horizontal Structure of Atmospheric Entropy Production  

Science Conference Proceedings (OSTI)

The global horizontal structure of atmospheric entropy has been investigated. In energy balance models, the horizontal distribution of the atmospheric internal entropy production rate has been obtained. Based on the entropy balance relation, this ...

J. Li; Petr Chylek

1994-06-01T23:59:59.000Z

102

Quasigeostrophic Turbulence in a Three-Layer Model: Effects of Vertical Structure in the Mean Shear  

Science Conference Proceedings (OSTI)

A three-layer, horizontally homogeneous, quasigeostrophic model is selected as one of the simplest environments in which to study the sensitivity of baroclinic eddy fluxes in the atmosphere to the vertical structure of the basic-state temperature ...

Isaac M. Held; Enda O'Brien

1992-10-01T23:59:59.000Z

103

The Statistics and Horizontal Structure of Anomalous Weather Regimes in the Community Climate Model  

Science Conference Proceedings (OSTI)

The statistics, horizontal structure, and linear barotropic dynamics of anomalous weather regimes are evaluated in a 15-winter integration of the NCAR Community Climate Model (CCM2). Statistical and ensemble analyses of simulated regimes are ...

Robert X. Black; Katherine J. Evans

1998-04-01T23:59:59.000Z

104

A Model for a Shear-Free Convective Boundary Layer with Parameterized Capping Inversion Structure  

Science Conference Proceedings (OSTI)

The paper extends Deardorff's general structure parameterization for a shear-free convective boundary layer. The model suggested employs the mixed layer hypothesis that the buoyancy (which is defined as b = g(?0 ? &rho)/?0, where ? is the density,...

E. E. Fedorovich; D. V. Mironov

1995-01-01T23:59:59.000Z

105

Thermal Structure and Airflow in a Model Simulation of an Occluded Marine Cyclone  

Science Conference Proceedings (OSTI)

A very fine mesh model simulation of the Ocean Ranger storm of February 1982 is used to study the thermal structure and airflow in an intense marine cyclone. In particular, the study investigates the structures of the occluded front and the ...

Ying-Hwa Kuo; Richard J. Reed; Simon Low-Nam

1992-10-01T23:59:59.000Z

106

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

E-Print Network (OSTI)

applications. The electrical and mechanical power analysis at the PWAS structure interface indicates all on the tuning effects. Second, we studied the PWAS receiver structural interface acoustic and electrical energy1 Modeling of Power and Energy Transduction of Embedded Piezoelectric Wafer Active Sensors

Giurgiutiu, Victor

107

Dynamic thermal modelling of a power integrated circuit with the application of structure functions  

Science Conference Proceedings (OSTI)

This paper presents dynamic thermal analyses of a power integrated circuit with a cooling assembly. The investigations are based on the examination of the cumulative and differential structure functions obtained from the circuit cooling curves recorded ... Keywords: Contact thermal resistance, Heat transfer coefficient, Structure function, Thermal modelling and simulation

Marcin Janicki; Jedrzej Banaszczyk; Gilbert De Mey; Marek Kaminski; Bjorn Vermeersch; Andrzej Napieralski

2009-07-01T23:59:59.000Z

108

Modeling of ultrasonic and acoustic waves propagation through 2D lattice structures  

Science Conference Proceedings (OSTI)

Effective non-destructive testing techniques for modern lattice structural materials are in great demand. Amongst the more successful tecniques are ultrasonic and acoustic testing. The focus of this paper is the simulation of wave propagation through ... Keywords: finite element methods, modeling and simulation methodologies, ultrasonic testing of lattice structural materials, visualization

Ales Michtchenko; James A. Smith; Massimo Ruzzene

2007-10-01T23:59:59.000Z

109

Resolving stereo matching errors due to repetitive structures using model information  

Science Conference Proceedings (OSTI)

This study regards the problem of incorrect stereo matches due to the occurrence of repetitive structures in the scene. In stereo vision, repetitive structures may lead to ''phantom objects'' in front of or behind the true scene which cause severe problems ... Keywords: Correspondence analysis, Model-based 3D scene analysis, Stereo vision

Björn Barrois; Marcus Konrad; Christian Wöhler; Horst-Michael Groí

2010-09-01T23:59:59.000Z

110

Finite element modelling and analysis of bolted joints of three dimensional tubular structures  

Science Conference Proceedings (OSTI)

A Hungarian "Steel Cooling Tower Consortium" aimed to develop a new type steel cooling tower, in the framework of a governmental R&D project. Members of the structure are prefabricated tubular elements characterized by high radius-to-thickness ratio. ... Keywords: bolted endplate connection, gusset plate, model development, non-linear FEM, steel cooling tower, thin-walled section, tubular structure, virtual experiment

L. G. Vigh; L. Dunai

2002-09-01T23:59:59.000Z

111

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

Science Conference Proceedings (OSTI)

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)

Sener, Adil Caner; Kimball, Stefan

2007-12-15T23:59:59.000Z

112

STRUCTURE-BASED PREDICTIVE MODEL FOR COAL CHAR COMBUSTION  

SciTech Connect

Significant progress continued to be made during the past reporting quarter on both major technical tasks. During the reporting period at OSU, computational investigations were conducted of addition vs. abstraction reactions of H, O(3 P), and OH with monocyclic aromatic hydrocarbons. The potential energy surface for more than 80 unique reactions of H, O ( 3 P), and OH with aromatic hydrocarbons were determined at the B3LYP/6-31G(d) level of theory. The calculated transition state barriers and reaction free energies indicate that the addition channel is preferred at 298K, but that the abstraction channel becomes dominant at high temperatures. The thermodynamic preference for reactivity with aromatic hydrocarbons increases in the order O(3 P) < H < OH. Abstraction from six-membered aromatic rings is more facile than abstraction from five-membered aromatic rings. However, addition to five-membered rings is thermodynamically more favorable than addition to six-membered rings. The free energies for the abstraction and addition reactions of H, O, and OH with aromatic hydrocarbons and the characteristics of the respective transition states can be used to calculate the reaction rate constants for these important combustion reactions. Experimental work at Brown University on the effect of reaction on the structural evolution of different chars (i.e., phenolic resin char and chars produced from three different coals) have been investigated in a TGA/TPD-MS system. It has been found that samples of different age of these chars appeared to lose their "memory" concerning their initial structures at high burn-offs. During the reporting period, thermal desorption experiments of selected samples were conducted. These spectra show that the population of low temperature oxygen surface complexes, which are primarily responsible for reactivity, are more similar for the high burn-off than for the low burn-off samples of different ages; i.e., the population of active sites are more similar for the ?younger? and ?older? chars at high burn-offs. Progress continued on experimental work at OSU. Another furnace run was conducted with a Pittsburgh seam coal. Temperature profiles were obtained, as well as char samples from three sampling ports. Nonisothermal TGA reactivities were also obtained for these samples. Work is continuing on final ?fine-tuning? of the gas analysis section.

CHRISTOPHER M. HADAD; JOSEPH M. CALO; ROBERT H. ESSENHIGH; ROBERT H. HURT

1999-01-13T23:59:59.000Z

113

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

Science Conference Proceedings (OSTI)

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.

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

2012-12-01T23:59:59.000Z

114

Model and Seismic Analysis of Large-scale Wind Turbine Tower Structure  

Science Conference Proceedings (OSTI)

The working condition of wind turbine tower structure with a massive engine room and revolving wind wheels is very complex. The paper simplify the wind turbine tower model with finite element analysis software --ANSYS, completed modal analysis firstly, ... Keywords: wind turbine tower, model analysis, resonance, time-history analysis, dynamic

Xiang Liu; Jiangtao Kong

2012-05-01T23:59:59.000Z

115

Recovering structured data types from a legacy data model with overlays  

Science Conference Proceedings (OSTI)

Legacy systems are often written in programming languages that support arbitrary variable overlays. When migrating to modern languages, the data model must adhere to strict structuring rules, such as those associated with an object oriented data model, ... Keywords: Legacy systems, Program transformations, Reengineering

Mariano Ceccato; Thomas Roy Dean; Paolo Tonella

2009-10-01T23:59:59.000Z

116

Distributed backbone structure for algorithms in the SINR model of wireless networks  

Science Conference Proceedings (OSTI)

The Signal-to-Interference-and-Noise-Ratio (SINR) physical model is one of the most popular models of wireless networks. Despite of the vast amount of study done in design and analysis of centralized algorithms supporting wireless communication under ... Keywords: SINR, backbone structure, distributed algorithms, leader election, multi-message broadcast, wireless networks

Tomasz Jurdzinski; Dariusz R. Kowalski

2012-10-01T23:59:59.000Z

117

Remote robotic underwater grinding system and modeling for rectification of hydroelectric structures  

Science Conference Proceedings (OSTI)

A submersible grinding robot has been designed to automate the dam gate metallic structure repair process. In order to measure and control the amount of material removed during the process, an empirical approach for modeling the material removal rate ... Keywords: Air injector, Grinding modeling, Material removal rate (MRR), Robotic grinding, Underwater grinding process, Water drag effect

Dominique Thuot; Zhaoheng Liu; Henri Champliaud; Julien Beaudry; Pierre-Luc Richard; Michel Blain

2013-02-01T23:59:59.000Z

118

A Structure-Controlled Model For Hot Spring Exploration In Taiwan By Remote  

Open Energy Info (EERE)

Structure-Controlled Model For Hot Spring Exploration In Taiwan By Remote Structure-Controlled Model For Hot Spring Exploration In Taiwan By Remote Sensing Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Journal Article: A Structure-Controlled Model For Hot Spring Exploration In Taiwan By Remote Sensing Details Activities (0) Areas (0) Regions (0) Abstract: Hot Spring Law of Taiwan was passed in legislative assembly on 3 June 2003. Hot springs would become one of the most important natural resources for recreation purposes. Both public and private sectors will invest large amount of capital in this area in the near future. The value of remote sensing technology is to give a critical tool for observing the landscape to find out mega-scaled geological structures, which may not be able to be found by conventional approaches. The occurrences of the hot

119

"Relaxing" - A Symbolic Sparse Matrix Method Exploiting the Model Structure in Generating Efficient Simulation Code  

E-Print Network (OSTI)

This paper presents a new method for symbolically solving large sets of algebraically coupled equations as they are frequently encountered in the formulation of mathematical models of physical systems in object-- oriented modeling. The method, called "relaxing," enables the modeler to exploit the special matrix structure of the type of system under study by simply placing the keyword relax at appropriate places in the model class libraries. This procedure defines an evaluation sequence for a sparse matrix Gaussian elimination scheme. The method is demonstrated at hand of several broad classes of physical systems: drive trains, electrical circuits, and tree--structured multibody systems. In particular, relaxing allows a model compiler, such as Dymola, to start from a declarative, object-- oriented description of the model, and to automatically derive the recursive O(f) algorithm used in modern multibody programs. Keywords: Sparse matrices; symbolic formulae manipulation; object--orient...

Martin Otter; Hilding Elmqvist François E. Cellier; Hilding Elmqvist; Francois E. Cellier

1996-01-01T23:59:59.000Z

120

Modeling H2 adsorption in carbon-based structures  

E-Print Network (OSTI)

Hydrogen storage has been identified as a primary bottleneck in the large-scale implementation of a hydrogen-based economy. Many research efforts are underway to both improve the capacity of existing hydrogen storage systems and develop new systems. 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, and molecular dynamics simulations of tetramethylammonium lithium phthalocyanine (TMA-LiPc) and trimethyl-(2-trimethylazaniumylethyl) azanium phthalocyanine (TMA2-Pc) were undertaken to estimate the H2 gas-solid adsorption uptake (wt/wt) as a function of pressure and temperature. For TMA-LiPc, the maximum H2 binding energy was approximately 0.9 kcal/mol for an isolated system and 1.2 kcal/mol for a crystal. H2 adsorption at the optimal inter-layer distance of 8.49 Å ranged from 2.1% to 6.0% (wt/wt) at 300 K, 2.5% to 6.5% at 273K, 3.3% to 7.2% at 236K, 5.2% to 8.6% at 177K, and 10.4% to 11.7% at 77K. At ILD 10 Å H2 adsorption was about 1.5% (wt/wt) higher at all points. For TMA2-Pc, the maximum H2 binding energy was approximately 1.3 kcal/mol for an isolated system and 1.2 kcal/mol for a crystal. H2 adsorption at the optimal inter-layer distance of 8.12 Å ranged from 0.5% to 2.6% (wt/wt) at 300 K, 0.6% to 2.8% at 273K, 0.8% to 3.2% at 236K, 1.4% to 3.9% at 177K, and 4.5% to 6.0% at 77K. At ILD 10 Å H2 adsorption ranged from about 0.1% (wt/wt) at 40 bar to 0.5% higher at 250 bar. The behavior of H2 adsorption for both TMA-LiPc and TMA2-Pc were compared. The adsorbed H2 probability density was compared to pair correlation function data and surfaces of constant binding energy. Regions of relatively high H2 density appear to correlate well with the binding energy, but the total adsorption does not, indicating that the adsorption is driven by factors other than binding energetics. Lithium ion transport in TMA2-Pc was also investigated for suitability as an electrolyte medium for use in lithium ion battery systems.

Lamonte, Kevin Anthony

2008-05-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

A Projective Model Structure on Pro Simplicial Sheaves, and the Relative \\'Etale Homotopy Type  

E-Print Network (OSTI)

In \\cite{Isa}, Isaksen showed that a proper model category $\\cC$, induces a model structure on the pro category $Pro(\\cC)$. In this paper we generalize Isaksen's theorem to the case when $\\cC$ possess a weaker structure, which we call a "weak fibration category". Namely, we show that if $\\mcal{C}$ is a weak fibration category, that satisfies an extra condition, there is a naturally induced model structure on $Pro(\\cC)$. We then apply our theorem to the case when $\\cC$ is the weak fibration category of simplicial sheafs on a Grothendieck site, where both weak equivalences and fibrations are local as in \\cite{Jar}. This gives a new model structure on the category of pro simplicial sheaves. Using this new model structure we give a definition of the \\'etale homotopy type of Artin and Mazur \\cite{AM}, as the result of applying a derived functor. Our definition actually gives as object in $Pro(\\cS)$ and not just in $Pro(Ho(\\cS))$ as in \\cite{AM}. Our definition also extends naturally to a relative notion of the \\'e...

Barnea, Ilan

2011-01-01T23:59:59.000Z

122

A Structural Model Guide For Geothermal Exploration In Ancestral Mount Bao,  

Open Energy Info (EERE)

Model Guide For Geothermal Exploration In Ancestral Mount Bao, Model Guide For Geothermal Exploration In Ancestral Mount Bao, Leyte, Philippines Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Journal Article: A Structural Model Guide For Geothermal Exploration In Ancestral Mount Bao, Leyte, Philippines Details Activities (0) Areas (0) Regions (0) Abstract: The Tongonan Geothermal Field is the largest producing geothermal field in the Philippines having an installed capacity of 700 MW. It hosts several major power plants that tap geothermal power from the northern flank of the eroded Ancestral Mount Bao (AMB) volcano in Leyte Island, Philippines. A structural model guide is presented to delineate exploration targets in other flanks of the 1200 km2 area of the AMB volcano. If applied, the model constrains the coverage of geothermal exploration to

123

Why Is Nevada in Hot Water? Structural Controls and Tectonic Model of  

Open Energy Info (EERE)

Why Is Nevada in Hot Water? Structural Controls and Tectonic Model of Why Is Nevada in Hot Water? Structural Controls and Tectonic Model of Geothermal Systems in the Northwestern Great Basin Jump to: navigation, search OpenEI Reference LibraryAdd to library Conference Paper: Why Is Nevada in Hot Water? Structural Controls and Tectonic Model of Geothermal Systems in the Northwestern Great Basin Abstract In the western Great Basin, the Walker Lane is a system of right-lateral strike-slip faults accommodating ~15-25% of relative motion between the Pacific and North American plates. Relatively high rates of recent (<10 Ma) west-northwest extension absorb northwestward declining dextral motion in the Walker Lane, diffusing that motion into the Basin-Range. Abundant geothermal fields cluster in several northeasttrending belts in the

124

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

Open Energy Info (EERE)

Why Basin And Range Systems Are Hard To Find Ii- Structural Model Of The Why Basin And Range Systems Are Hard To Find Ii- Structural Model Of The Producing Geothermal System In Dixie Valley, Nevada Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Conference Paper: Why Basin And Range Systems Are Hard To Find Ii- Structural Model Of The Producing Geothermal System In Dixie Valley, Nevada Details Activities (4) Areas (1) Regions (0) Abstract: Dixie Valley is the hottest (> 285°C at 3 km) and one of the largest geothermal systems (63 MW power plant operated for over 20 years) in the Basin and Range province. The heat source is deep circulation in a high heat flow, highly fractured upper crust without a significant magmatic thermal input. Many hot springs in the Basin and Range Province share the characteristics of the Dixie Valley system. Major geothermal resource

125

The GISS Global Climate-Middle Atmosphere Model. Part I: Model Structure and Climatology  

Science Conference Proceedings (OSTI)

The GISS global climate model (Hansen et al.) has been extended to include the middle atmosphere up to an altitude of approximately 85 km. The model has the full array of processes used for climate research, i.e., numerical solutions of the ...

D. Rind; R. Suozzo; N. K. Balachandran; A. Lacis; G. Russell

1988-02-01T23:59:59.000Z

126

A three-dimensional gravity model of the geologic structure of Long Valley caldera  

DOE Green Energy (OSTI)

Several attempts to define and interpret this anomaly have been made in the past using 2-D and 3-D models. None of the previous interpretations have yielded definitive results, but in fairness, the interpretation here has benefited from a larger gravity data base and more subsurface control than available to previous workers. All published 3-D models simplistically assumed constant density of fill. All 2-D models suffered from the inherent three-dimensionality of the complicated density structure of Long Valley caldera. In addition, previous interpreters have lacked access to geological data, such as well lithologies and density logs, seismic refraction interpretations, suface geology, and structural geology interpretations. The purpose of this study is to use all available gravity data and geological information to constrain a multi-unit, 3-D density model based on the geology of Long Valley caldera and its vicinity. Insights on the geologic structure of the caldera fill can help other geophysical interpretations in determining near-surface effects so that deeper structure may be resolved. With adequate control on the structure of the caldera fill, we are able to examine the gravity data for the presence of deeper density anomalies in the crust. 20 refs., 7 figs.

Carle, S.F.; Goldstein, N.E.

1987-03-01T23:59:59.000Z

127

Simulating Cellulose Structure, Properties, Thermodynamics, Synthesis, and Deconstruction with Atomistic and Coarse-Grain Models  

SciTech Connect

Cellulose is still a mysterious polymer in many ways: structure of microfibrils, thermodynamics of synthesis and degradation, and interactions with other plant cell wall components. Our aim is to uncover the details and mechanisms of cellulose digestion and synthesis. We report the details of the structure of cellulose 1-beta under several temperature conditions and report here the results of these studies and connections to experimental measurements and the measurement in-silico the free energy of decrystallization of several morphologies of cellulose. In spatially large modeling, we show the most recent work of mapping atomistic and coarse-grain models into tomographic images of cellulose and extreme coarse-grain modeling of interactions of large cellulase complexes with microfibrils. We discuss the difficulties of modeling cellulose and suggest future work both experimental and theoretical to increase our understanding of cellulose and our ability to use it as a raw material for fuels and materials.

Crowley, M. F.; Matthews, J.; Beckham, G.; Bomble, Y.; Hynninen, A. P.; Ciesielski, P. F.

2012-01-01T23:59:59.000Z

128

Constraints on Field Theoretical Models for Variation of the Fine Structure Constant  

E-Print Network (OSTI)

Recent theoretical ideas and observational claims suggest that the fine structure constant alpha may be variable. We examine a spectrum of models in which alpha is a function of a scalar field. Specifically, we consider three scenarios: oscillating alpha, monotonic time variation of alpha, and time-independent alpha that is spatially varying. We examine the constraints imposed upon these theories by cosmological observations, particle detector experiments, and ``fifth force'' experiments. These constraints are very strong on models involving oscillation, but cannot compete with bounds from the Oklo sub-nuclear reactor on models with monotonic time-like variation of alpha. One particular model with spatial variation is consistent with all current experimental and observational measurements, including those from two seemingly conflicting measurements of the fine structure constant using the many multiplet method on absorption lines.

Charles L. Steinhardt

2003-08-26T23:59:59.000Z

129

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

E-Print Network (OSTI)

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.

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

2007-03-23T23:59:59.000Z

130

Causes and Explanations in the Structural-Model Approach: Tractable Cases  

E-Print Network (OSTI)

In this paper, we continue our research on the algorithmic aspects of Halpern and Pearl's causes and explanations in the structural-model approach. To this end, we present new characterizations of weak causes for certain classes of causal models, which show that under suitable restrictions deciding causes and explanations is tractable. To our knowledge, these are the first explicit tractability results for the structuralmodel approach.

Thomas Eiter; Thomas Lukasiewicz

2002-01-01T23:59:59.000Z

131

Application of the TEMPEST computer code for simulating hydrogen distribution in model containment structures. [PWR; BWR  

SciTech Connect

In this study several aspects of simulating hydrogen distribution in geometric configurations relevant to reactor containment structures were investigated using the TEMPEST computer code. Of particular interest was the performance of the TEMPEST turbulence model in a density-stratified environment. Computed results illustrated that the TEMPEST numerical procedures predicted the measured phenomena with good accuracy under a variety of conditions and that the turbulence model used is a viable approach in complex turbulent flow simulation.

Trent, D.S.; Eyler, L.L.

1982-09-01T23:59:59.000Z

132

3-D Radiative Transfer Modeling of Structured Winds in Massive Hot Stars with Wind3D  

E-Print Network (OSTI)

We develop 3-D models of the structured winds of massive hot stars with the Wind3D radiative transfer (RT) code. We investigate the physical properties of large-scale structures observed in the wind of the B-type supergiant HD 64760 with detailed line profile fits to Discrete Absorption Components (DACs) and rotational modulations observed with IUE in Si IV {\\lambda}1395. We develop parameterized input models Wind3D with large-scale equatorial wind density- and velocity-structures, or so-called `Co-rotating Interaction Regions' (CIRs) and `Rotational Modulation Regions' (RMRs). The parameterized models offer important advantages for high-performance RT calculations over ab-initio hydrodynamic input models. The acceleration of the input model calculations permits us to simulate and investigate a wide variety of physical conditions in the extended winds of massive hot stars. The new modeling method is very flexible for constraining the dynamic and geometric wind properties of RMRs in HD 64760. We compute that t...

Lobel, A; Blomme, R

2010-01-01T23:59:59.000Z

133

Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides  

NLE Websites -- All DOE Office Websites (Extended Search)

Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print "Ferroelectricity," by analogy to ferromagnetism, is defined as the presence of spontaneous electrical polarization in a material, often arising from distortions in the material's crystal structure. In oxides of the metals lead and bismuth, such distortions were for many years attributed to the existence of "lone pair" electrons: pairs of chemically inert, nonbonding valence electrons in hybrid orbitals that leave noticeable voids in the crystal structure. At the ALS, researchers from the U.K., Ireland, and the U.S. have now obtained definitive experimental evidence that this lone-pair model must be revised. High-resolution x-ray photoemission spectroscopy (XPS) and soft x-ray emission spectroscopy (XES) have clarified the subtle electronic origins of the prototypical distortions in these crystal structures. The results have important implications for the tantalizing possibility of spintronic or superconducting devices combining ferroelectric and ferromagnetic properties.

134

Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides  

NLE Websites -- All DOE Office Websites (Extended Search)

Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print Beyond the Lone-Pair Model for Structurally Distorted Metal Oxides Print "Ferroelectricity," by analogy to ferromagnetism, is defined as the presence of spontaneous electrical polarization in a material, often arising from distortions in the material's crystal structure. In oxides of the metals lead and bismuth, such distortions were for many years attributed to the existence of "lone pair" electrons: pairs of chemically inert, nonbonding valence electrons in hybrid orbitals that leave noticeable voids in the crystal structure. At the ALS, researchers from the U.K., Ireland, and the U.S. have now obtained definitive experimental evidence that this lone-pair model must be revised. High-resolution x-ray photoemission spectroscopy (XPS) and soft x-ray emission spectroscopy (XES) have clarified the subtle electronic origins of the prototypical distortions in these crystal structures. The results have important implications for the tantalizing possibility of spintronic or superconducting devices combining ferroelectric and ferromagnetic properties.

135

Effect of project characteristics on project performance in construction projects based on structural equation model  

Science Conference Proceedings (OSTI)

Most past studies that analyze project performance and the characteristics that affect such performance consist of a simple form, in which they present the brief relationship between project performance and a few characteristics that affect it. Furthermore, ... Keywords: Project characteristics, Project performance, Structural equation model

KyuMan Cho; TaeHoon Hong; ChangTaek Hyun

2009-09-01T23:59:59.000Z

136

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

E-Print Network (OSTI)

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

Vajda, Sandor

137

Bayesian network model of overall print quality: Construction and structural optimisation  

Science Conference Proceedings (OSTI)

Prediction of overall visual quality based on instrumental measurements is a challenging task. Despite the several proposed models and methods, there exists a gap between the instrumental measurements of print and human visual assessment of natural images. ... Keywords: Bayesian networks, Overall visual quality, Print quality assessment, Structural optimisation

Tuomas Eerola; Lasse Lensu; Joni-Kristian Kamarainen; Tuomas Leisti; Risto Ritala; Göte Nyman; Heikki Kälviäinen

2011-08-01T23:59:59.000Z

138

Beneficial changes in dependence structures and two-moment decision models  

Science Conference Proceedings (OSTI)

We analyze the comparative static effects of beneficial changes in the dependence structure between risks. In a quasi-linear decision model with an endogenous risk and a dependent background risk, a mean-variance decision maker will choose a lower level ... Keywords: Concordance order, Correlation, Elasticity of risk aversion, Prudence

Thomas Eichner; Andreas Wagener

2010-05-01T23:59:59.000Z

139

Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme  

NLE Websites -- All DOE Office Websites (Extended Search)

Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme Print Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme Print The rate and intensity of calcium (Ca2+) currents that oscillate through the plasma membrane around a cell affect such diverse phenomena as fertilization, the cardiac rhythm, and even the formation of memories. How does the cell sense these digital oscillations and transduce them into a cellular signal, such as changes in phosphorylation (addition of a phosphate group to a protein) or gene transcription? A group from the University of California, Berkeley, the Yale University School of Medicine, and Berkeley Lab has combined protein crystallography and small-angle x-ray scattering to give a first glimpse into what this conversion may look like as well as the structural consequences of the conversion.

140

Structure and Energetics of Standing Eddies in the Winter Northern Hemisphere Simulated by the NCAR Community Climate Model and the GLA Climate Model  

Science Conference Proceedings (OSTI)

The National Center for Atmospheric Research (NCAR) Community Climate Model (CCM) and the Goddard Laboratory for Atmospheres (GLA) Climate Model (CM) differ from each other both in numerical structure and in forcing scheme. Since a proper ...

Yen-Huei Lee; Tsing-Chang Chen

1986-11-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
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141

Combined Stellar Structure and Atmosphere Models: Exploratory Results for Wolf-Rayet Stars  

E-Print Network (OSTI)

In this paper we present Complete Stellar models (CoStar) for massive stars, which treat the stellar interior and atmosphere, including its wind. Particular emphasis is given to Wolf-Rayet stars. We address the question of the effective temperatures of WNE and WC stars. Our first results show a satisfactory agreement between the CoStar models and the simple temperature correction method applied by Schaller et al. (1992). An analyses of the subphotospheric structure of the WR star models shows the importance of metal opacity. This may be essential for understanding the driving mechanism of Wolf-Rayet winds.

D. Schaerer; A. de Koter; W. Schmutz

1994-10-14T23:59:59.000Z

142

The phase structure of a chirally-invariant Higgs-Yukawa model  

E-Print Network (OSTI)

We present new results of our ongoing project on the investigation of the phase structure of the Higgs-Yukawa model at small and large bare Yukawa couplings. The critical exponents of the second order bulk phase transitions of this model are determined from finite-size analyses and compared to the pure O(4)-model to test for triviality and the possibility of having a non-Gaussian fixed point. In addition, we will present a first study of Higgs boson masses and fermion correlation functions.

Prasad Hegde; George W. -S. Hou; Karl Jansen; Bastian Knippschild; C. -J. David Lin; Kei-Ichi Nagai; Attila Nagy; Kenji Ogawa

2013-10-22T23:59:59.000Z

143

The polarized structure function of the nucleons with a non-extensive statistical quark model  

SciTech Connect

We studied an application of nonextensive thermodynamics to describe the polarized structure function of nucleon, in a model where the usual Fermi-Dirac and Bose-Einstein energy distribution, often used in the statistical models, were replaced by the equivalent functions of the q-statistical. The parameters of the model are given by an effective temperature T, the q parameter (from Tsallis statistics), and the chemical potentials given by the corresponding up (u) and down (d) quark normalization in the nucleon and by {Delta}u and {Delta}d of the polarized functions.

Trevisan, Luis A. [Departamento de Matematica e Estatistica, Universidade Estadual de Ponta Grossa, 84010-790, Ponta Grossa, PR (Brazil); Mirez, Carlos [Instituto de Ciencia, Engenharia e Tecnologia - ICET, Universidade Federal dos Vales do Jequitinhonha e Mucuri - UFVJM, Campus do Mucuri, Rua do Cruzeiro 01, Jardim Sao Paulo, 39803-371, Teofilo Otoni, Minas Gerais (Brazil)

2013-05-06T23:59:59.000Z

144

Implementation of New Process Models for Tailored Polymer Composite Structures into Processing Software Packages  

Science Conference Proceedings (OSTI)

This report describes the work conducted under the Cooperative Research and Development Agreement (CRADA) (Nr. 260) between the Pacific Northwest National Laboratory (PNNL) and Autodesk, Inc. to develop and implement process models for injection-molded long-fiber thermoplastics (LFTs) in processing software packages. The structure of this report is organized as follows. After the Introduction Section (Section 1), Section 2 summarizes the current fiber orientation models developed for injection-molded short-fiber thermoplastics (SFTs). Section 3 provides an assessment of these models to determine their capabilities and limitations, and the developments needed for injection-molded LFTs. Section 4 then focuses on the development of a new fiber orientation model for LFTs. This model is termed the anisotropic rotary diffusion - reduced strain closure (ARD-RSC) model as it explores the concept of anisotropic rotary diffusion to capture the fiber-fiber interaction in long-fiber suspensions and uses the reduced strain closure method of Wang et al. to slow down the orientation kinetics in concentrated suspensions. In contrast to fiber orientation modeling, before this project, no standard model was developed to predict the fiber length distribution in molded fiber composites. Section 5 is therefore devoted to the development of a fiber length attrition model in the mold. Sections 6 and 7 address the implementations of the models in AMI, and the conclusions drawn from this work is presented in Section 8.

Nguyen, Ba Nghiep; Jin, Xiaoshi; Wang, Jin; Phelps, Jay; Tucker III, Charles L.; Kunc, Vlastimil; Bapanapalli, Satish K.; Smith, Mark T.

2010-02-23T23:59:59.000Z

145

Structure and Formation of an Annular Hurricane Simulated in a Fully Compressible, Nonhydrostatic Model—TCM4  

Science Conference Proceedings (OSTI)

The structure and formation of an annular hurricane simulated in a fully compressible, nonhydrostatic tropical cyclone model—TCM4—are analyzed. The model is initialized with an axisymmetric vortex on an f plane in a quiescent environment, and ...

Yuqing Wang

2008-05-01T23:59:59.000Z

146

FOUR-FLUID MODEL AND NUMERICAL SIMULATIONS OF MAGNETIC STRUCTURES IN THE HELIOSHEATH  

Science Conference Proceedings (OSTI)

The first part of this paper extends the three-fluid model of Avinash and Zank for magnetic structures in the heliosheath to a four-fluid model consisting of electrons, pick-up ions (PUIs), solar wind ions (SWIs), and neutral hydrogen. The PUIs are generated by neutrals via charge exchange with SWI. Since the kinetic pressure of PUI is nearly three to four times the pressure of SWI, these are more suited to mediate small-scale structures in the heliosheath such as magnetic holes (MH)/humps etc. The constant energy exchange between these two fluids drives them nonadiabatic. The PUIs are isothermal ({gamma} = 1) while SWIs are nonadiabatic with an index {gamma} {approx} 1.25. The four-fluid model captures these effects via a modified equation of state for PUI and SWI. The phase space of time-independent solutions in terms of the Mach numbers of PUI and SWI is constructed to delineate the parameter space which allows structure formation in the heliosheath. The second part of the paper examines the stability of the time-independent solutions computed in the first part by evolving them via a full system of Hall-MHD equations. The simulation results show that these solutions are not quite stable. As the structure propagates it develops growing oscillations in the wings. Concomitantly, there are changes in the amplitude and width of the structure. This instability could be due to local changes in the velocity of the structure and reflects an exchange between the kinetic and magnetic parts of the total energy. Our results about the presence of growing oscillations in the wings of solitary wave solutions are consistent with the recent analysis of MHs in the heliosheth by Burlaga et al. Their analysis also shows evidence for the presence of oscillations and instabilities in the wings of MHs in the heliosheath.

Avinash, K. [Department of Physics and Astrophysics, University of Delhi, 110007, India. (India); Cox, Sean M.; Shaikh, Dastgeer; Zank, G. P. [Centre for Space Plasma and Aeronomic Research, University of Alabama, Hunstville, AL 35899 (United States)

2009-04-10T23:59:59.000Z

147

Essays on empirical time series modeling with causality and structural change  

E-Print Network (OSTI)

In this dissertation, three related issues of building empirical time series models for financial markets are investigated with respect to contemporaneous causality, dynamics, and structural change. In the first essay, nation-wide industry information transmission among stock returns of ten sectors in the U.S. economy is examined through the Directed Acyclical Graph (DAG) for contemporaneous causality and Bernanke decomposition for dynamics. The evidence shows that the information technology sector is the most root cause sector. Test results show that DAG from ex ante forecast innovations is consistent with the DAG fro m ex post fit innovations. This supports innovation accounting based on DAGs using ex post innovations. In the second essay, the contemporaneous/dynamic behaviors of real estate and stock returns are investigated. Selected macroeconomic variables are included in the model to explain recent movements of both returns. During 1971-2004, there was a single structural break in October 1980. A distinct difference in contemporaneous causal structure before and after the break is found. DAG results show that REITs take the role of a causal parent after the break. Innovation accounting shows significantly positive responses of real estate returns due to an initial shock in default risk but insignificant responses of stock returns. Also, a shock in short run interest rates affects real estate returns negatively with significance but does not affect stock returns. In the third essay, a structural change in the volatility of five Asian and U.S. stock markets is examined during the post-liberalization period (1990-2005) in the Asian financial markets, using the Sup LM test. Four Asian financial markets (Hong Kong, Japan, Korea, and Singapore) experienced structural changes. However, test results do not support the existence of structural change in volatility for Thailand and U.S. Also, results show that the Generalized Autoregressive Conditional Heteroskedasticity (GARCH) persistent coefficient increases, but the Autoregressive Conditional heteroskedasticity (ARCH) impact coefficient, implying short run adjustment, decreases in Asian markets. In conclusion, when the econometric model is set up, it is necessary to consider contemporaneous causality and possible structural breaks (changes). The dissertation emphasizes causal inference and structural consistency in econometric modeling. It highlights their importance in discovering contemporaneous/dynamic causal relationships among variables. These characteristics will likely be helpful in generating accurate forecasts.

Kim, Jin Woong

2006-08-01T23:59:59.000Z

148

Modeling of complex oxide materials from the first principles: systematic applications to vanadates RVO3 with distorted perovskite structure  

Science Conference Proceedings (OSTI)

"Realistic modeling" is a new direction of electronic structure calculations, where the main emphasis is made on the construction of some effective low-energy model entirely within a first-principle framework. Ideally, it is a model in form, but with ... Keywords: Effective models, First-principle calculations, Perovskite vanadates, Spin-orbital order

Igor Solovyev

2011-06-01T23:59:59.000Z

149

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

DOE Green Energy (OSTI)

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.

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

1996-10-01T23:59:59.000Z

150

Scanning tunneling microscopy studies on the structure and stability of model catalysts  

E-Print Network (OSTI)

An atomic level understanding of the structure and stability of model catalysts is essential for surface science studies in heterogeneous catalysis. Scanning tunneling microscopy (STM) can operate both in UHV and under realistic pressure conditions with a wide temperature span while providing atomic resolution images. Taking advantage of the ability of STM, our research focuses on 1) investigating the structure and stability of supported Au catalysts, especially under CO oxidation conditions, and 2) synthesizing and characterizing a series of alloy model catalysts for future model catalytic studies. In our study, Au clusters supported on TiO2(110) have been used to model supported Au catalysts. Our STM studies in UHV reveal surface structures of TiO2(110) and show undercoordinated Ti cations play a critical role in the nucleation and stabilization of Au clusters on TiO2(110). Exposing the TiO2(110) surface to water vapor causes the formation of surface hydroxyl groups and subsequently alters the growth kinetics of Au clusters on TiO2(110). STM studies on Au/TiO2(110) during CO oxidation demonstrate the real surface of a working catalyst. Au clusters supported on TiO2(110) sinter rapidly during CO oxidation, but are mostly stable in the single component reactant gas, either CO or O2. The sintering kinetics of supported Au clusters has been measured during CO oxidation and gives an activation energy, which supports the mechanism of CO oxidation induced sintering. CO oxidation was also found to accelerate the surface diffusion of Rh(110). Our results show a direct correlation between the reaction rate of CO oxidation and the diffusion rate of surface metal atoms. Synthesis of alloy model catalysts have also been attempted in our study with their structures successfully characterized. Planar Au-Pd alloy films has been prepared on a Rh(100) surface with surface Au and Pd atoms distinguished by STM. The growth of Au-Ag alloy clusters have been studied by in-situ STM on a cluster-to-cluster basis. Moreover, the atomic structure of a solution-prepared Ru3Sn3 cluster has been resolved on an ultra-thin silica film surface. The atomic structure and adsorption sites of the ultrathin silica film have also been well characterized in our study.

Yang, Fan

2007-12-01T23:59:59.000Z

151

A multi-region nonlinear age-size structured fish population model  

E-Print Network (OSTI)

The goal of this paper is to present a generic multi-region nonlinear age-size structured fish population model, and to assess its mathematical well-posedness. An initial-boundary-value problem is formulated. Existence and uniqueness of a positive weak solution is proved. Eventually, a comparison result is derived: the population of all regions decreases as the mortality rate increases in at least one region.

Faugeras, Blaise

2010-01-01T23:59:59.000Z

152

A nonlocal model for fluid-structure interaction with applications in hydraulic fracturing  

E-Print Network (OSTI)

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...

Turner, Daniel Z

2012-01-01T23:59:59.000Z

153

DETERMINANTS OF FOREIGN DIRECT INVESTMENT IN IRAN: AN EMPIRICAL STUDY USING STRUCTURAL EQUATION MODELLING  

E-Print Network (OSTI)

Abstract. This paper examines the determinants of foreign direct investment (FDI) in Iran by applying the structural equation modelling (SEM). Using the annual time series data for the 1991-2006 period, two models were developed. In the first model the correlation between 12 determining factors and FDI in Iran were analyzed and in the second model the 12 factors were fit into five categories of determinants namely: Business, Economic, Infrastructural, Oil and Science and Technology and the impact of each of the mentioned groups of factors was investigated. The results derived through the first model indicated that openness of trade and Gross Domestic Product (GDP) per capita have a significant positive impact on FDI in Iran, while along with inflation, oil extraction and production had a surprisingly negative correlation with FDI. The results also suggested that infrastructural factors pertaining to telecommunications in addition to market size, research and development (R&D), education and the scientific output encourage FDI inflows in Iran. The second model output estimates revealed that the business factors promote FDI most and interestingly once more the oil factor proved to have a negative impact on the FDI inflows to Iran.

Ahmad Jafarnejad; Arash Golnam; Naderale Ebrahim

2009-01-01T23:59:59.000Z

154

Validation of New Process Models for Large Injection-Molded Long-Fiber Thermoplastic Composite Structures  

Science Conference Proceedings (OSTI)

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.

Nguyen, Ba Nghiep; Jin, Xiaoshi; Wang, Jin; Kunc, Vlastimil; Tucker III, Charles L.

2012-02-23T23:59:59.000Z

155

DNA folding: structural and mechanical properties of the two-angle model for chromatin  

E-Print Network (OSTI)

We present a theoretical analysis of the structural and mechanical properties of the 30-nm chromatin fiber. Our study is based on the two-angle model introduced by Woodcock et al. (Woodcock, C. L., S. A. Grigoryev, R. A. Horowitz, and N. Whitaker. 1993. PNAS 90:9021-9025) that describes the chromatin fiber geometry in terms of the entry-exit angle of the nucleosomal DNA and the rotational setting of the neighboring nucleosomes with respect to each other. We explore analytically the different structures that arise from this building principle, and demonstrate that the geometry with the highest density is close to the one found in native chromatin fibers under physiological conditions. On the basis of this model we calculate mechanical properties of the fiber under stretching. We obtain expressions for the stress-strain characteristics which show good agreement with the results of recent stretching experiments (Cui, Y., and C. Bustamante. 2000. PNAS 97:127-132) and computer simulations (Katritch, V., C. Bustamante, and W. K. Olson. 2000. J. Mol. Biol. 295:29-40), and which provide simple physical insights into correlations between the structural and elastic properties of chromatin.

H. Schiessel; W. M. Gelbart; R. Bruinsma

2001-02-07T23:59:59.000Z

156

Substrate Creep on The Fatigue Life of A Model Dental Multilayer Structure  

SciTech Connect

In this paper, we investigated the effects of substrate creep on the fatigue behavior of a model dental multilayer structure, in which a top glass layer was bonded to a polycarbonate substrate through a dental adhesive. The top glass layers were ground using 120 grit or 600 grit sand papers before bonding to create different sub-surface crack sizes and morphologies. The multilayer structures were tested under cyclic Hertzian contact loading to study crack growth and obtain fatigue life curves. The experiment results showed that the fatigue lives of the multilayer structures were impaired by increasing crack sizes in the sub-surfaces. They were also significantly reduced by the substrate creep when tested at relatively low load levels i.e. P{sub m} < 60 N (Pm is the maximum magnitude of cyclic load). But at relatively high load levels i.e. P{sub m} > 65 N, slow crack growth (SCG) was the major failure mechanisms. A modeling study was then carried out to explore the possible failure mechanisms over a range of load levels. It is found that fatigue life at relatively low load levels can be better estimated by considering the substrate creep effect (SCE).

Zhou, J; Huang, M; Niu, X; soboyejo, W

2006-10-09T23:59:59.000Z

157

Substrate Creep on The Fatigue Life of A Model Dental Multilayer Structure  

Science Conference Proceedings (OSTI)

In this paper, we investigated the effects of substrate creep on the fatigue behavior of a model dental multilayer structure, in which a top glass layer was bonded to a polycarbonate substrate through a dental adhesive. The top glass layers were ground using 120 grit or 600 grit sand papers before bonding to create different sub-surface crack sizes and morphologies. The multilayer structures were tested under cyclic Hertzian contact loading to study crack growth and obtain fatigue life curves. The experiment results showed that the fatigue lives of the multilayer structures were impaired by increasing crack sizes in the sub-surfaces. They were also significantly reduced by the substrate creep when tested at relatively low load levels i.e. P{sub m} 65 N, slow crack growth (SCG) was the major failure mechanisms. A modeling study was then carried out to explore the possible failure mechanisms over a range of load levels. It is found that fatigue life at relatively low load levels can be better estimated by considering the substrate creep effect (SCE).

Zhou, J; Huang, M; Niu, X; soboyejo, W

2006-10-09T23:59:59.000Z

158

Thermodynamics and Structural Properties of the High Density Gaussian Core Model  

E-Print Network (OSTI)

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.

Atsushi Ikeda; Kunimasa Miyazaki

2011-04-18T23:59:59.000Z

159

Fluid-Structure Interaction Modeling of High-Aspect Ratio Nuclear Fuel Plates Using COMSOL  

SciTech Connect

The High Flux Isotope Reactor at the Oak Ridge National Lab is in the research stage of converting its fuel from high-enriched uranium to low-enriched uranium. Due to different physical properties of the new fuel and changes to the internal fuel plate design, the current safety basis must be re-evaluated through rigorous computational analyses. One of the areas being explored is the fluid-structure interaction phenomenon due to the interaction of thin fuel plates (50 mils thickness) and the cooling fluid (water). Detailed computational fluid dynamics and fluid-structure interaction simulations have only recently become feasible due to improved numerical algorithms and advancements in computing technology. For many reasons including the already built-in fluid-structure interaction module, COMSOL has been chosen for this complex problem. COMSOL's ability to solve multiphysics problems using a fully-coupled and implicit solution algorithm is crucial in obtaining a stable and accurate solution. Our initial findings show that COMSOL can accurately model such problems due to its ability to closely couple the fluid dynamics and the structural dynamics problems.

Curtis, Franklin G [ORNL] ORNL; Ekici, Kivanc [ORNL] ORNL; Freels, James D [ORNL] ORNL

2013-01-01T23:59:59.000Z

160

Effect of Multiple Higgs Fields on the Phase Structure of the SU(2)-Higgs Model  

E-Print Network (OSTI)

The SU(2)-Higgs model, with a single Higgs field in the fundamental representation and a quartic self-interaction, has a Higgs region and a confinement region which are analytically connected in the parameter space of the theory; these regions thus represent a single phase. The effect of multiple Higgs fields on this phase structure is examined via Monte Carlo lattice simulations. For the case of N ? 2 identical Higgs fields, there is no remaining analytic connection between the Higgs and confinement regions, at least when Lagrangian terms that directly couple different Higgs flavours are omitted. An explanation of this result in terms of enhancement from overlapping phase transitions is explored for N = 2 by introducing an asymmetry in the hopping parameters of the Higgs fields. It is found that an enhancement of the phase transitions can still occur for a moderate (10%) asymmetry in the resulting hopping parameters. The phase structure of the basic SU(2)-Higgs model (i.e. an SU(2) gauge theory coupled to a single scalar field with a quartic self-interaction and a quadratic term) is clearly of direct relevance to the Higgs sector of the Standard Model, where discussions of spontaneous symmetry breaking and the transition from a symmetric phase to a Higgs phase are paramount. The addition of extra Higgs fields occurs in a

Mark Wurtz; Y Lewis; T. G. Steele

2009-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


161

In Situ Experiment and Modelling of RC-Structure Using Ambient Vibration and Timoshenko Beam  

E-Print Network (OSTI)

Recently, several experiments were reported using ambient vibration surveys in buildings to estimate the modal parameters of buildings. Their modal properties are full of relevant information concerning its dynamic behaviour in its elastic domain. The main scope of this paper is to determine relevant, though simple, beam modelling whose validity could be easily checked with experimental data. In this study, we recorded ambient vibrations in 3 buildings in Grenoble selected because of their vertical structural homogeneity. First, a set of recordings was done using a 18 channels digital acquisition system (CityShark) connected to six 3C Lennartz 5s sensors. We used the Frequency Domain Decomposition (FDD) technique to extract the modal parameters of these buildings. Second, it is shown in the following that the experimental quasi-elastic behaviour of such structure can be reduced to the behaviour of a vertical continuous Timoshenko beam. A parametric study of this beam shows that a bijective relation exists bet...

Michel, Clotaire; Guéguen, Philippe; Boutin, Claude

2007-01-01T23:59:59.000Z

162

Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Structure Structure functions 1 NOTE: THE FIGURES IN THIS SECTION ARE INTENDED TO SHOW THE REPRESENTATIVE DATA. THEY ARE NOT MEANT TO BE COMPLETE COMPILATIONS OF ALL THE WORLD'S RELIABLE DATA. Q 2 (GeV 2 ) F 2 (x,Q 2 ) * 2 i x H1 ZEUS BCDMS E665 NMC SLAC 10 -3 10 -2 10 -1 1 10 10 2 10 3 10 4 10 5 10 6 10 7 10 8 10 9 10 -1 1 10 10 2 10 3 10 4 10 5 10 6 Figure 16.6: The proton structure function F p 2 measured in electromagnetic scattering of positrons on protons (collider experiments ZEUS and H1), in the kinematic domain of the HERA data, for x > 0.00006 (cf. Fig. 16.9 for data at smaller x and Q 2 ), and for electrons (SLAC) and muons (BCDMS, E665, NMC) on a fixed target. Statistical and systematic errors added in quadrature are shown. The data are plotted as a function of Q 2 in bins of fixed x. Some points have been slightly offset in Q 2 for clarity. The ZEUS binning in x is used in this plot; all other data are rebinned to the x values of

163

Structural characterization and dehydration kinetics of Kirka inderite mineral: Application of non-isothermal models  

SciTech Connect

Coats-Redfern, Arrhenius, Ozawa, Kissinger, and Doyle non-isothermal kinetic models were used to calculate the dynamic kinetic parameters for dehydration reaction of Mg-borate mineral, inderite (Kirka - Turkey) based on thermogravimetric analysis, derivative thermogravimetric analysis and differential thermal analysis. Dehydration experiments were carried out at different heating rates of 2, 5, 10, 15, and 20 deg. C/min in a pure nitrogen atmosphere. Structural and morphological properties have been characterized by X-Ray diffraction, Fourier transform-infrared spectroscopy, Scanning electron microscopy-energy dispersive spectroscopy, and Inductively coupled plasma-optical emission spectroscopy techniques.

Figen, Aysel Kantuerk, E-mail: akanturk@yildiz.edu.tr [Yildiz Technical University, Department of Chemical Engineering, Davutpasa Campus., N.127, Esenler, Istanbul (Turkey); Yilmaz, Muege Sari, E-mail: mugesari@yildiz.edu.tr [Yildiz Technical University, Department of Chemical Engineering, Davutpasa Campus., N.127, Esenler, Istanbul (Turkey); Piskin, Sabriye, E-mail: piskin@yildiz.edu.tr [Yildiz Technical University, Department of Chemical Engineering, Davutpasa Campus., N.127, Esenler, Istanbul (Turkey)

2010-06-15T23:59:59.000Z

164

Turbulent Flow Analysis and Coherent Structure Identification in Experimental Models with Complex Geometries  

E-Print Network (OSTI)

Turbulent flows and coherent structures emerging within turbulent flow fields have been extensively studied for the past few decades and a wide variety of experimental and numerical techniques have been developed for measurement and analysis of turbulent flows. The complex nature of turbulence requires methods that can accurately estimate its highly chaotic spatial and temporal behavior. Some of the classical cases of turbulent flows with simpler geometries have been well characterized by means of the existing experimental techniques and numerical models. Nevertheless, since most turbulent fields are of complex geometries; there is an increasing interest in the study of turbulent flows through models with more complicated geometries. In this dissertation, characteristics of turbulent flows through two different facilities with complex geometries are studied applying two different experimental methods. The first study involves the investigation of turbulent impinging jets through a staggered array of rods with or without crossflow. Such flows are crucial in various engineering disciplines. This experiment aimed at modeling the coolant flow behavior and mixing phenomena within the lower plenum of a Very High Temperature Reactor (VHTR). Dynamic Particle Image Velocimetry (PIV) and Matched Index of Refraction (MIR) techniques were applied to acquire the turbulent velocity fields within the model. Some key flow features that may significantly enhance the flow mixing within the test section or actively affect some of the structural components were identified in the velocity fields. The evolution of coherent structures within the flow field is further investigated using a Snapshot Proper Orthogonal Decomposition (POD) technique. Furthermore, a comparative POD method is proposed and successfully implemented for identification of the smaller but highly influential coherent structures which may not be captured in the full-field POD analysis. The second experimental study portrays the coolant flow through the core of an annular pebble bed VHTR. The complex geometry of the core and the highly turbulent nature of the coolant flow passing through the gaps of fuel pebbles make this case quite challenging. In this experiment, a high frequency Hot Wire Anemometry (HWA) system is applied for velocity measurements and investigation of the bypass flow phenomena within the near wall gaps of the core. The velocity profiles within the gaps verify the presence of an area of increased velocity close to the outer reflector wall; however, the characteristics of the coolant flow profile is highly dependent on the gap geometry and to a less extent on the Reynolds number of the flow. The time histories of the velocity are further analyzed using a Power Spectra Density (PSD) technique to acquire information about the energy content and energy transfer between eddies of different sizes at each point within the gaps.

Amini, Noushin

2011-12-01T23:59:59.000Z

165

Modeling the large-scale structure of a barchan dune field  

E-Print Network (OSTI)

In nature, barchan dunes typically exist as members of larger fields that display enigmatic structures that cannot be readily explained by external forcing. To explore the possibility that observed patterns self-organize, we built a numerical model that treats barchans as discrete entities that obey known empirical relationships and interact with one another according to simplified rules derived from theoretical and numerical work, and from field observations. A rich array of patterns, similar to those observed in nature, emerge from these relatively simple behaviors and interactions, offering a cohesive depiction and a potential explanation of field-scale phenomena. This is the first model to integrate calving and results support the hypothesis that it exerts a first order control on the system; It is fundamental to the formation and stability of field patterns and when the process is disabled, all dunes in all runs grow without bound on short time-scales. Insights derived from this synthesis of dune-scale p...

Worman, S; Littlewood, R; Andreotti, B; Claudin, P

2013-01-01T23:59:59.000Z

166

Kinetic model of electric potentials in localized collisionless plasma structures under steady quasi-gyrotropic conditions  

SciTech Connect

Localized plasma structures, such as thin current sheets, generally are associated with localized magnetic and electric fields. In space plasmas localized electric fields not only play an important role for particle dynamics and acceleration but may also have significant consequences on larger scales, e.g., through magnetic reconnection. Also, it has been suggested that localized electric fields generated in the magnetosphere are directly connected with quasi-steady auroral arcs. In this context, we present a two-dimensional model based on Vlasov theory that provides the electric potential for a large class of given magnetic field profiles. The model uses an expansion for small deviation from gyrotropy and besides quasineutrality it assumes that electrons and ions have the same number of particles with their generalized gyrocenter on any given magnetic field line. Specializing to one dimension, a detailed discussion concentrates on the electric potential shapes (such as 'U' or 'S' shapes) associated with magnetic dips, bumps, and steps. Then, it is investigated how the model responds to quasi-steady evolution of the plasma. Finally, the model proves useful in the interpretation of the electric potentials taken from two existing particle simulations.

Schindler, K. [Ruhr University Bochum, 44780 Bochum (Germany); Birn, J. [Space Science Institute, Boulder, Colorado 80301 (United States); Hesse, M. [Nasa Goddard Space Flight Center, Greenbelt, Maryland 20771 (United States)

2012-08-15T23:59:59.000Z

167

Characterization of the Thermal Structure inside an Urban Canyon: Field Measurements and Validation of a Simple Model  

Science Conference Proceedings (OSTI)

The results of measurement campaigns are analyzed to investigate the thermal structure in an urban canyon and to validate a simplified model simulating the air and surface temperatures from surface energy budgets. Starting from measurements at ...

Lorenzo Giovannini; Dino Zardi; Massimiliano de Franceschi

2013-01-01T23:59:59.000Z

168

Numerical Simulation of the Meso-? Scale Structure and Evolution of the 1977 Johnstown Flood. Part I: Model Description and Verification  

Science Conference Proceedings (OSTI)

The Pennsylvania State University/NCAR mesoscale model, originally developed by Anthes and Warner, is modified to simulate the meso-? scale structure and evolution of convectively driven weather systems. The modifications include: (i) two-way ...

Da-Lin Zhang; J. Michael Fritsch

1986-09-01T23:59:59.000Z

169

Radiation thermo-chemical models of protoplanetary disks I. Hydrostatic disk structure and inner rim  

E-Print Network (OSTI)

This paper introduces a new disk code, called ProDiMo, to calculate the thermo-chemical structure of protoplanetary disks and to interpret gas emission lines from UV to sub-mm. We combine frequency-dependent 2D dust continuum radiative transfer, kinetic gas-phase and UV photo-chemistry, ice formation, and detailed non-LTE heating & cooling balance with the consistent calculation of the hydrostatic disk structure. We include FeII and CO ro-vibrational line heating/cooling relevant for the high-density gas close to the star, and apply a modified escape probability treatment. The models are characterized by a high degree of consistency between the various physical, chemical and radiative processes, where the mutual feedbacks are solved iteratively. In application to a T Tauri disk extending from 0.5AU to 500AU, the models are featured by a puffed-up inner rim and show that the dense, shielded and cold midplane (z/r<0.1, Tg~Td) is surrounded by a layer of hot (5000K) and thin (10^7 to 10^8 cm^-3) atomic ga...

Woitke, Peter; Thi, Wing-Fai

2009-01-01T23:59:59.000Z

170

Integrated modeling and testing of a micro hinged structure for sliding friction measurement  

SciTech Connect

This paper summarizes the design, modeling, and initial evaluation of a hinged structure for friction measurement in surface micromachining technology. While the area requirements are small, the present structure allows a much larger velocity and pressure range to be evaluated as compared to comb drive structures. The device consists of a cantilevered driver beam connected to a friction pad through a strategically located hinge. AC excitation of the beam flexure forces axial sliding of the friction pad due to beam foreshortening. Normal force is controlled by DC voltage on wings adjacent to the friction pad. While the achievable slip is small (10--30 nm), it is sufficient to disengage contacting asperities and engage new points of contact, and thus should be representative of frictional processes. Furthermore, the design enables the friction pad contact area to remain relatively constant over the excitation cycle. Computer simulation results are provided to mimic on-going experimental work. Increased friction forces are shown to enhance the size of hysteresis loops relating beam deflection to driver voltage.

Redmond, J.M.; Boer, M.P. de; Michalske, T.A.

1998-08-01T23:59:59.000Z

171

Simulation of microphysical structure associated with tropical cloud clusters using mesoscale model and comparison with TRMM observations  

Science Conference Proceedings (OSTI)

An attempt has been made in the present study to examine the microphysical structure of a non-squall Tropical Cloud Cluster (TCC). Three-dimensional model simulations of cloud microphysical structure associated with a non-squall TCC occurred on 26 October ...

S. Abhilash; K. Mohankumar; S. Das

2008-04-01T23:59:59.000Z

172

Research on Regional Differences of Urban Resident Consumption Structure in China Based on Fuzzy Matter Element Model  

Science Conference Proceedings (OSTI)

Study of residents’ consumption structure plays an important role in macroeconomic policy formulation. Based on per capita annual consumption expenditure of urban households, the fuzzy matter element model is used to evaluate urban resident consumption ... Keywords: comsumption structure, fuzzy matter-element, Euclid approach degree, government consumption expenditure

Hong Li; Bo Zhou

2010-11-01T23:59:59.000Z

173

AUTOMATIC GENERATION OF DIGITAL BUILDING MODELS FOR COMPLEX STRUCTURES FROM LIDAR DATA  

E-Print Network (OSTI)

Automated and reliable 3D reconstruction of man-made structures is important for various applications in virtual reality, city modeling, military training, etc. This paper is concerned with the automated generation of Digital Building Models (DBM) associated with complex structures comprised of small parts with different slopes, sizes, and shapes, from a LiDAR point cloud. The proposed methodology consists of a sequence of four steps: ground/non-ground point separation; building hypothesis generation; segmentation of planar patches and intermediate boundary generation; and boundary refinement and 3D wire frame generation. First, a novel ground/non-ground point classification technique is proposed based on the visibility analysis among ground and non-ground points in a synthesized perspective view. Once the LiDAR point cloud has been classified into ground and non-ground points, the non-ground points are analyzed and used to generate hypotheses of building instances based on the point attributes and the spatial relationships among the points. The third step of the proposed methodology segments each building hypothesis into a group of planar patches while simultaneously considering the attribute similarity and the spatial proximity among the points. The intermediate boundaries for segmented clusters are produced by using a modified convex hull algorithm. These boundaries are used as initial approximations of the planar surfaces comprising the building model of a given hypothesis. The last step of the proposed methodology utilizes these initial boundaries to come up with a refined set of boundaries, which are connected to produce a wire frame representing the DBM. The performance of the proposed methodology has been evaluated using experimental results from real data.

Changjae Kim; Ayman Habib; Yu-chuan Chang

2008-01-01T23:59:59.000Z

174

Effect of Multiple Higgs Fields on the Phase Structure of the SU(2)-Higgs Model  

E-Print Network (OSTI)

The SU(2)-Higgs model, with a single Higgs field in the fundamental representation and a quartic self-interaction, has a Higgs region and a confinement region which are analytically connected in the parameter space of the theory; these regions thus represent a single phase. The effect of multiple Higgs fields on this phase structure is examined via Monte Carlo lattice simulations. For the case of N>=2 identical Higgs fields, there is no remaining analytic connection between the Higgs and confinement regions, at least when Lagrangian terms that directly couple different Higgs flavours are omitted. An explanation of this result in terms of enhancement from overlapping phase transitions is explored for N=2 by introducing an asymmetry in the hopping parameters of the Higgs fields. It is found that an enhancement of the phase transitions can still occur for a moderate (10%) asymmetry in the resulting hopping parameters.

Mark Wurtz; Randy Lewis; T. G. Steele

2009-02-06T23:59:59.000Z

175

A Spectral Element Approach for Modeling of Wave-Based Structural Health Monitoring Systems  

Science Conference Proceedings (OSTI)

During the last decades, guided waves have shown great potential for Structural Health Monitoring (SHM) applications. These waves can be excited and sensed by piezoelectric elements that can be permanently attached onto a structure offering online monitoring capability. As the setup of wave based SHM systems may be very difficult and time consuming there is a growing demand for efficient simulation tools providing the opportunity to design wave based SHM systems in a virtual environment. As usually high frequency waves are used, the associated short wavelength leads to the necessity of a very dense mesh, which makes conventional finite elements not well suited for this purpose. Therefore a flat shell spectral element approach is presented in this contribution. By including electromechanical coupling an SHM system can be simulated entirely from actuator voltage to sensor voltage. The focus of this contribution is the analysis of the effect of delaminations on propagating waves. A forward increment Lagrange multiplier method is used to simulate contact within the delaminated area. A model validation is performed using measured data of an anisotropic CFRP-plate.

Schulte, Rolf T.; Fritzen, Claus-Peter [Institute of Mechanics and Control-Mechatronics, University of Siegen, Paul-Bonatz-Str. 9-11, 57076 Siegen (Germany)

2010-09-30T23:59:59.000Z

176

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

E-Print Network (OSTI)

During the last two decades, managerial coaching has become increasingly popular in organizations. Despite its popularity, there is a paucity of empirical evidence in the study of managerial coaching outcomes. The purpose of this study was to examine the relationships between perceived managerial coaching behavior and employee self-reported affective and performance-related outcomes based on perceptions of selected organization employees. Three theories, path-goal leadership, career motivation, and organization support, were used to frame the hypothesized conceptual model of managerial coaching outcomes for the current study. The systematic review of relevant literature identified satisfaction with work, role ambiguity, satisfaction with manager, career commitment, job performance, and organization commitment for the potential outcomes of managerial coaching. A 36-item survey including seven existing instruments was utilized to collect data. An estimation of the readability level for the survey was Flesh-Kincaid Grade Level 7.1. The survey was sent electronically to all employees in the selected government organization. The sample included 431 respondents representing a population of 1,399 employees. Descriptive statistics, principal component analysis, Cronbach‘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 model was adequately supported by the empirical data of the study sample (?2/df = 3.53; CFI = .91; IFI = .91; RMSEA = .08). The further investigations suggested that managerial coaching had a direct impact on employee satisfaction with work and role clarity and an indirect impact on satisfaction with work, career commitment, job performance, and organization commitment. Role clarity, as a direct outcome of managerial coaching, influenced job performance—such mediation was consistent with the hypothesized model for the study. The hypothesized model had clear and comprehensive illustrations of how managerial coaching affects work and organization-related variables, satisfaction with work, role clarity, career commitment, job performance, and organization commitment. This study provides empirical support to the proposed benefits of managerial coaching in organizations, and enhances the selected theories by offering additional empirical support to them.

Kim, Sewon

2010-08-01T23:59:59.000Z

177

Bilayer Structure and Lipid Dynamics in a Model Stratum Corneum with Oleic Acid  

DOE Green Energy (OSTI)

The stratum corneum is the uppermost layer of the skin and acts as a barrier to keep out contaminants and retain moisture. Understanding the molecular structure and behavior of this layer will provide guidance for optimizing its biological function. In this study we use a model mixture comprised of equimolar portions of ceramide NS (24:0), lignoceric acid, and cholesterol to model the effect of the addition of small amounts of oleic acid to the bilayer at 300 and 340 K. Five systems at each temperature have been simulated with concentrations between 0 and 0.1 mol % oleic acid. Our major finding is that subdiffusive behavior over the 200 ns time scale is evident in systems at 340 K, with cholesterol diffusion being enhanced with increased oleic acid. Importantly, cholesterol and other species diffuse faster when radial densities indicate nearest neighbors include more cholesterol. We also find that, with the addition of oleic acid, the bilayer midplane and interfacial densities are reduced and there is a 3% decrease in total thickness occurring mostly near the hydrophilic interface at 300 K with reduced overall density at 340 K. Increased interdigitation occurs independent of oleic acid with a temperature increase. Slight ordering of the long non-hydroxy fatty acid of the ceramide occurs near the hydrophilic interface as a function of the oleic acid concentration, but no significant impact on hydrogen bonding is seen in the chosen oleic acid concentrations.

Hoopes, Matthew I.; Noro, Massimo G.; Longo, Marjorie L.; Faller, Roland

2011-03-31T23:59:59.000Z

178

Report on three Genomes to Life Workshops: Data Infrastructure, Modeling and Simulation, and Protein Structure Prediction  

Science Conference Proceedings (OSTI)

On July 22, 23, 24, 2003, three one day workshops were held in Gaithersburg, Maryland. Each was attended by about 30 computational biologists, mathematicians, and computer scientists who were experts in the respective workshop areas The first workshop discussed the data infrastructure needs for the Genomes to Life (GTL) program with the objective to identify gaps in the present GTL data infrastructure and define the GTL data infrastructure required for the success of the proposed GTL facilities. The second workshop discussed the modeling and simulation needs for the next phase of the GTL program and defined how these relate to the experimental data generated by genomics, proteomics, and metabolomics. The third workshop identified emerging technical challenges in computational protein structure prediction for DOE missions and outlining specific goals for the next phase of GTL. The workshops were attended by representatives from both OBER and OASCR. The invited experts at each of the workshops made short presentations on what they perceived as the key needs in the GTL data infrastructure, modeling and simulation, and structure prediction respectively. Each presentation was followed by a lively discussion by all the workshop attendees. The following findings and recommendations were derived from the three workshops. A seamless integration of GTL data spanning the entire range of genomics, proteomics, and metabolomics will be extremely challenging but it has to be treated as the first-class component of the GTL program to assure GTL's chances for success. High-throughput GTL facilities and ultrascale computing will make it possible to address the ultimate goal of modern biology: to achieve a fundamental, comprehensive, and systematic understanding of life. But first the GTL community needs to address the problem of the massive quantities and increased complexity of biological data produced by experiments and computations. Genome-scale collection, analysis, dissemination, and modeling of those data are the key to success of GTL. Localizing these activities within each experimental facility that generates the data will ease integration and organization. However, integration and coordination of these activities across the facilities will be extremely critical to assure high-throughput knowledge synthesis and engage the broader biology community. Ultimately, the success of the data infrastructure will be judged by how well it is accepted by and serves the biology community.

Geist, GA

2003-09-16T23:59:59.000Z

179

Electric field induced propagating structures in a model of spatio-temporal signalling  

Science Conference Proceedings (OSTI)

Keywords: calcium waves, convective instabilities, electric field effects, intracellular transport, propagating structures

D. Šnita; P. Hasal; J. H. Merkin

2000-07-01T23:59:59.000Z

180

A Framework to Structure Agent-Based Modeling Data for Social-Ecological Systems  

E-Print Network (OSTI)

Methodological issues on agent-based models for analyticalof a household level agent-based model of landcover change.individual-based and agent-based models. Ecological Modeling

Altaweel, Mark R; Alessa, Lilian N.; Kliskey, Andrew; Bone, Chris

2010-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


181

Effect of secondary structure on the interactions of peptide T4 LYS (11-36) in mixtures of aqueous sodium chloride and 2,2,2,-Trifluoroethanol  

SciTech Connect

The potential of mean force for protein-protein interactions is key to the development of a statistical-mechanical model for salt-induced protein precipitation and crystallization, and for understanding certain disease states, including cataract formation and {beta}-amyloid pathology in Alzheimer's disease. Fluorescence anisotropy provides a method for quantitative characterization of intermolecular interactions due to reversible association. Monomer-dimer equilibria for the peptide T4 LYS(11-36) were studied by fluorescence anisotropy. This peptide, derived from the {beta}-sheet region of the T4 lysozyme molecule, has the potential to form amyloid fibrils. 2,2,2-trifluoroethanol (TFE) induces a change in peptide secondary structure, and was used in aqueous solutions at concentrations from 0 to 50% (v/v) at 25 and 37 C to examine the role of peptide conformation on peptide-peptide interactions. The association constant for dimerization increased with rising TFE concentration and with falling temperature. The peptide-peptide potential of mean force was computed from these association constants. Circular-dichroism measurements showed that the secondary structure of the peptide plays an important role in these strong attractive interactions due to intermolecular hydrogen-bond formation and hydrophobic interactions.

Anderson, Camille O.; Spiegelberg, Susanne; Prausnitz, John M.; Blanch, Harvey W.

2001-10-01T23:59:59.000Z

182

Interlayer Structure and Dynamics of Cl-Bearing Hydrotalcite: Far Infrared Spectroscopy and Molecular Dynamics Modeling  

SciTech Connect

Comparison of the observed far-infrared (FIR) spectrum of Cl--containing hydrotalcite, [Mg3Al(OH)8]Cl?3H2O, with its power spectrum calculated using molecular dynamics (MD) computer simulation provides greatly increased understanding of the structure and vibrational dynamics in the interlayers of layered double hydroxides. The simulation model assumes an ordered Mg3Al arrangement in the octahedral layer and no constraints on the movement of any atoms or on the geometry and symmetry of the simulation supercell. Calculated anisotropic components of the individual atomic power spectra in combination with computed animations of the vibrational modes from normal mode analysis allow for reliable interpretations of the observed spectral bands. For the vibrations related to octahedral cation motions, bands near 145, 180 and 250 cm-1 are due dominantly to Mg vibration in the z direction (perpendicular to the hydroxide layers), Al vibration in the z direction and Mg and Al vibrations in the x-y plane (parallel to the hydroxide layers), respectively. The low frequency vibrational motions of the interlayer are controlled by a network of hydrogen bonds formed among interlayer water molecules, Cl- ions, and the OH groups of the main hydroxide layers. The bands near 40-70 cm-1 are related to the translational motions of interlayer Cl- and H2O in the x-y plane, and the bands near 120 cm-1 and 210 cm-1 are due largely to translational motions of the interlayer species in the z direction. The three librational modes of interlayer water molecules near 390, 450 and 540 cm-1 correspond to twisting, rocking and wagging hindered rotations, respectively. The spectral components of the interlayer Cl- motions are remarkably similar to those of bulk aqueous chloride solutions, reflecting the structural and dynamic similarity of the nearest-neighbor Cl- environments in the interlayer and in solution.

Wang, Jianwei; Kalinichev, Andrey G.; Amonette, James E.; Kirkpatrick, Robert J.

2003-02-01T23:59:59.000Z

183

Development of the in-structure response spectra of the VVER-440 Model 230 Kozloduy Plant  

Science Conference Proceedings (OSTI)

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.

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

184

Characterization of structural properties and dynamic behavior using distributed accelerometer networks and numerical modeling  

E-Print Network (OSTI)

Both vibration-based structural health monitoring methodologies and seismic performance analysis rely on estimates of the base-line dynamic behavior of a structure. A common method for making this estimate is through ...

Trocha, Peter Adam

2013-01-01T23:59:59.000Z

185

Receptive field self-organization in a model of the fine structure in v1 cortical columns  

Science Conference Proceedings (OSTI)

We study a dynamical model of processing and learning in the visual cortex, which reflects the anatomy of V1 cortical columns and properties of their neuronal receptive fields. Based on recent results on the fine-scale structure of columns in V1, we ...

Jörg Lücke

2009-10-01T23:59:59.000Z

186

Numerical modelling of dynamical interaction between seismic radiation and near-surface geological structures: a parallel approach  

Science Conference Proceedings (OSTI)

We investigate a faster and easier way to parallelise seismological codes able to simulate the dynamical interaction between seismic radiation and near-surface geological structures. This is important in assessing strong ground motion, in the mitigation ... Keywords: HPF, numerical modelling, openMP, parallel computing, seismic site effects

A. Caserta; V. Ruggiero; P. Lanucara

2002-11-01T23:59:59.000Z

187

Effects of turbulent mixing on the structure and macroscopic properties of stratocumulus clouds demonstrated by a Lagrangian trajectory model  

Science Conference Proceedings (OSTI)

The role of turbulent mixing in formation of the structure of stratocumulus clouds is investigated using a Lagrangian-Eulerian parcel cloud model containing ~2000-5000 adjacent parcels with the linear size of 25-40 m, moving with a turbulent-like ...

L. Magaritz-Ronen; M. Pinsky; A. Khain

188

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

NLE Websites -- All DOE Office Websites (Extended Search)

Federal and State Structures to Federal and State Structures to Support Financing Utility-Scale Solar Projects and the Business Models Designed to Utilize Them Michael Mendelsohn and Claire Kreycik Technical Report NREL/TP-6A20-48685 April 2012 NREL is a national laboratory of the U.S. Department of Energy, Office of Energy Efficiency & Renewable Energy, operated by the Alliance for Sustainable Energy, LLC. National Renewable Energy Laboratory 15013 Denver West Parkway Golden, Colorado 80401 303-275-3000 * www.nrel.gov Contract No. DE-AC36-08GO28308 Federal and State Structures to Support Financing Utility-Scale Solar Projects and the Business Models Designed to Utilize Them Michael Mendelsohn and Claire Kreycik Prepared under Task No. CP09.2320

189

Design and Dynamic Modeling of the Support Structure for a 10 MW Offshore Wind Turbine.  

E-Print Network (OSTI)

?? This thesis presents two designs of tension-leg-platforms (TLP) support structures for the 10 MW reference wind turbine being developed by the Norwegian Research Centre… (more)

Crozier, Aina

2011-01-01T23:59:59.000Z

190

A modeling and control framework for operating large-scale electric power systems under present and newly evolving competitive industry structures  

E-Print Network (OSTI)

This paper introduces a systematic, structure-based modeling framework for analysis and control of electric power systems for processes evolving over the mid-term and long-term time horizons. Much simpler models than the ...

Ilic, Marija

1995-01-01T23:59:59.000Z

191

Structural parameters for globular clusters in NGC 5128. III. ACS surface-brightness profiles and model fits  

E-Print Network (OSTI)

We present internal surface-brightness profiles, based on HST/ACS imaging in the F606W bandpass, for 131 globular cluster (GC) candidates with luminosities 10^4 - 3 x 10^6 solar, in the giant elliptical galaxy NGC 5128. Several structural models are fit to the profile of each cluster and combined with mass-to-light ratios from population-synthesis models, to derive a catalogue of fundamental structural and dynamical parameters parallel in form to the catalogues recently produced by McLaughlin & van der Marel and Barmby et al. for GCs and massive young star clusters in Local Group galaxies. As part of this, we provide corrected and extended parameter estimates for another 18 clusters in NGC 5128, which we observed previously. We show that, like GCs in the Milky Way and some of its satellites, the majority of globulars in NGC 5128 are well fit by isotropic Wilson models, which have intrinsically more distended envelope structures than the standard King lowered isothermal spheres. We use our models to predict internal velocity dispersions for every cluster in our sample. These predictions agree well in general with the observed dispersions in a small number of clusters for which spectroscopic data are available. In a subsequent paper, we use these results to investigate scaling relations for GCs in NGC 5128.

Dean E. McLaughlin; Pauline Barmby; William E. Harris; Duncan A. Forbes; Gretchen L. H. Harris

2007-11-14T23:59:59.000Z

192

Structure of unstable nuclei around N = 28 described by a shell model with the monopole-based universal interaction  

SciTech Connect

The structure of exotic nuclei around N = 28 is investigated in the sd-pf shell-model space using a new effective interaction. The cross-shell part of the interaction is provided by the monopole-based universal interaction which has been successful in accounting for single-particle evolution in several mass regions. Focusing on the nuclear structure that is sensitive to the shell evolution, we show successful results for the proton-hole states in K isotopes and large deformation in {sup 42}Si. The results demonstrate that the present scheme may be a promising way for constructing an effective interaction for other mass regions.

Utsuno, Yutaka [Advanced Science Research Center, Japan Atomic Energy Agency (Japan); Otsuka, Takaharu [Department of Physics, University of Tokyo (Japan); National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing MI 48824 (United States); Brown, B. Alex [Department of Physics and Astronomy, Michigan State University, East Lansing MI 48824 (United States); National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing MI 48824 (United States); Honma, Michio [Center for Mathematical Sciences, University of Aizu, Ikki-machi, Aizu-Wakamatsu, Fukushima 965-8580 (Japan); Mizusaki, Takahiro [Institute for National Sciences, Senshu University, Tokyo, 101-8425 (Japan)

2011-05-06T23:59:59.000Z

193

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

E-Print Network (OSTI)

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 ...

Mieloszyk, Alexander James

2012-01-01T23:59:59.000Z

194

The Potential for Self-Organizing Maps to Identify Model Error Structures  

Science Conference Proceedings (OSTI)

An important aspect of numerical weather model improvement is the identification of deficient areas of the model, particularly deficiencies that are flow-dependent or otherwise vary in time or space. Here the authors introduce the use of self-...

Walter C. Kolczynski; Jr.; Joshua P. Hacker

195

Comparison of Structure Parameter Scaling Expressions with Turbulence Closure Model Predictions  

Science Conference Proceedings (OSTI)

The convective boundary-layer scaling expressions presented by Wyngaard and LeMone (1980) are compared with predictions from a turbulence closure model. We first examine a model experiment involving a clear-air, convectively driven boundary layer ...

Stephen D. Burk

1981-04-01T23:59:59.000Z

196

Downstream Processing of Recombinant Proteins from Transgenic Plant Systems: Phenolic Compounds Removal from Monoclonal Antibody Expressing Lemna minor and Purification of Recombinant Bovine Lysozyme from Sugarcane  

E-Print Network (OSTI)

Transgenic plant systems have been proposed as bioreactors in the production of pharmaceutical and industrial proteins. The economic benefits of inexpensive plant production systems could be erased if the downstream processing ends up being expensive. To avoid monoclonal antibody (mAb) modification or fouling of chromatography resins, removal of phenolics from plant extracts is desirable. Removal of major phenolics in Lemna extracts was evaluated by adsorption to PVPP, XAD-4, IRA-402 and Q-Sepharose resins. Analysis of phenolics adsorption to XAD-4, IRA-402 and Q-Sepharose showed superior dynamic binding capacities at pH 4.5 than at 7.5. The economic analysis using SuperPro Designer 7.0 indicated that addition of a phenolics adsorption step would increase mAb production cost only 20% by using IRA-402 compared to 35% for XAD-4 resin. The overall mAb processing cost can be reduced by implementing a phenolics removal step. To understand phenolics-resin interactions, adsorption isotherms of phenolic compounds (chlorogenic acid, ferulic acid, rutin, syringic acid and vitexin-2-O-rhamnoside) from different phenolic classes on three resins (IRA-402, PVPP, XAD-4) at pH 4.5 and 7.5 were determined. Differences in adsorption with the type of phenolics were observed, and PVPP was not efficient for phenolics removal. Screening of sugarcane lines for bovine lysozyme (BvLz) accumulation indicated that expression levels are still inadequate for commercial development. To maximize BvLz extraction, pH and ionic strength were evaluated; five conditions resulted in equivalent BvLz/TSP ratio. Membrane filtration process using BvLz extracts attained partial removal of native proteins by the 100 kDa membrane step, but also BvLz loss (21-29%). Regardless of the extraction condition, at least 47% of the starting BvLz was lost during the membrane processing. None of the evaluated extraction conditions caused a substantial recovery of BvLz in the concentrate. Alternative purification options for the IEX+HIC process, which achieved 95% BvLz purity, were tested. Direct loading of sugarcane extract concentrate on HIC and XAD-4 pretreatment of juice did not recovered BvLz as effectively as the IEX chromatography. Pure BvLz was obtained by the XAD+HIC process, but higher purification fold and HIC yield were achieved by the IEX+HIC process, due to the complete separation of BvLz and 18-kDa protein.

Barros, Georgia

2012-05-01T23:59:59.000Z

197

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

E-Print Network (OSTI)

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 ...

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

2007-01-01T23:59:59.000Z

198

The Structure and Propagation of Intraseasonal Oscillations Appearing in a GFDL General Circulation Model  

Science Conference Proceedings (OSTI)

The three-dimensional structure and temporal evolution of quasi-periodic, planetary-scale tropospheric oscillations simulated by a 15-wavenurnber GCM are investigated by applying cross-spectral, eigenvector, composite and temporal correlation ...

Ngar-Cheung Lau; Ka-Ming Lau

1986-10-01T23:59:59.000Z

199

Nonlinear Winkler-based shallow foundation model for performance assessment of seismically loaded structures  

E-Print Network (OSTI)

for capacity designed structures. Tcl/Tk (2008). “Tcl Developer Xchange. URL: http://www.tcl.tk/. Terzaghi,by writing many lines of Tcl scripts. For systems with

Raychowdhury, Prishati

2008-01-01T23:59:59.000Z

200

Nonlinear Winkler-based shallow foundation model for performance assessment of seismically loaded structures  

E-Print Network (OSTI)

designed structures. Tcl/Tk (2008). “Tcl Developer Xchange.developed in C++ and wrapped in as scripting language Tcl/TkTcl/Tk (2008). One important feature of this software is

Raychowdhury, Prishati

2008-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

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

E-Print Network (OSTI)

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

Lo, Cynthia

2005-01-01T23:59:59.000Z

202

Structure of the Planetary Boundary Layer and Implications for its Modeling  

Science Conference Proceedings (OSTI)

Through the innovative use of laboratory experiments, numerical simulations, and direct measurements, researchers have greatly extended our knowledge of planetary boundary layer (PBL) structure over the last 15 years. This paper reviews some ...

John C. Wyngaard

1985-11-01T23:59:59.000Z

203

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

E-Print Network (OSTI)

Monitoring and inspection of nuclear reactor are stringent requirements from operator and safety authorities reactors, which consists in locating various reactor structures using an ultrasonic inspection performed theory of diffraction (GTD) and the Kirchhoff approximation (KA). These two approaches appear

Paris-Sud XI, Université de

204

Potential Vorticity Structure across the Gulf Stream: Observations and a PV-Gradient Model  

Science Conference Proceedings (OSTI)

Potential vorticity (PV) structure across a baroclinic front is a property that determines the stability characteristics of that front, cross-frontal exchange, and the behavior of the vortical waves that this front enables. Hence, there has been ...

Oleg Logoutov; George Sutyrin; D. Randolph Watts

2001-02-01T23:59:59.000Z

205

Equivalent electric circuit modeling of differential structures in PCB with genetic algorithm  

Science Conference Proceedings (OSTI)

This paper introduces an equivalent circuit extraction technique for differential structures using a hybrid genetic algorithm. The procedure searches for the proper parameters of lumped circuit elements to fit the scattering parameters which can be obtained ...

Jong Kang Park; Yong Ki Byun; Jong Tae Kim

2006-10-01T23:59:59.000Z

206

An Improved Canopy Integration Scheme for a Land Surface Model with Prognostic Canopy Structure  

Science Conference Proceedings (OSTI)

A new logical framework relating the structural and functional characteristics of a vegetation canopy is presented, based on the hypothesis that the ratio of leaf area to leaf mass (specific leaf area) varies linearly with overlying leaf area ...

Peter E. Thornton; Niklaus E. Zimmermann

2007-08-01T23:59:59.000Z

207

Fluid---structure interaction modeling of wind turbines: simulating the full machine  

Science Conference Proceedings (OSTI)

In this paper we present our aerodynamics and fluid---structure interaction (FSI) computational techniques that enable dynamic, fully coupled, 3D FSI simulation of wind turbines at full scale, and in the presence of the nacelle and tower (i.e., simulation ... Keywords: ALE-VMS method, Fluid---structure interaction, Full machine, NREL 5 MW offshore, Rotor---tower interaction, Sliding-interface formulation, Wind turbine aerodynamics

Ming-Chen Hsu; Yuri Bazilevs

2012-12-01T23:59:59.000Z

208

Structural dynamics modeling and testing of the Department of Energy tractor/trailer combination  

DOE Green Energy (OSTI)

This study presents a combined analytical and experimental effort to characterize and improve the ride quality of the Department of Energy tractor/trailer combination. The focus is to augment the experimental test results with the use of a high quality computer model. The discussion includes an overview of the finite element model of the vehicle and experimental modal test results. System identification techniques are employed to update the mathematical model. The validated model is then used to illustrate the benefits of incorporating two major design changes, namely the switch from a separate cab/sleeper configuration to an integrated cab, and the use of a cab suspension system.

Field, R.V. Jr.; Hurtado, J.E.; Carne, T.G.; Dohrmann, C.R.

1996-12-31T23:59:59.000Z

209

A Joint-Diffused Inpainting Model for Underexposure Image Preserving the Linear Geometric Structure  

Science Conference Proceedings (OSTI)

To restore the underexposure image, an illumination compensation inpainting model which employs the joint-diffused partial differential equations (PDEs) is proposed. Firstly, the novel model compensates the illumination effect in multi-scaled underexposure ... Keywords: illumination compensation, image inpainting, partial differential equation (PDE), quotient image (QI)

Jiying Wu; Qiuqi Ruan; Gaoyun An

2009-01-01T23:59:59.000Z

210

The study of the photon's pole structure in the noncommutative Schwinger model  

E-Print Network (OSTI)

The photon self energy of the noncommutative Schwinger model at three-loop order is analyzed. It is shown that the mass spectrum of the model does not receive any correction from noncommutativity parameter ($\\theta$) at this order. Also it remains unchanged to all orders. The exact one-loop effective action for the photon is also calculated.

Masoumeh Ghasemkhani

2013-01-07T23:59:59.000Z

211

The study of the photon's pole structure in the noncommutative Schwinger model  

E-Print Network (OSTI)

The photon self energy of the noncommutative Schwinger model at three-loop order is analyzed. It is shown that the mass spectrum of the model does not receive any correction from noncommutativity parameter ($\\theta$) at this order. Also it remains unchanged to all orders. The exact one-loop effective action for the photon is also calculated.

Ghasemkhani, Masoumeh

2013-01-01T23:59:59.000Z

212

Learning to recognize unsuccessful activities using a two-layer latent structural model  

Science Conference Proceedings (OSTI)

In this paper, we propose to recognize unsuccessful activities (e.g., one tries to dress himself but fails), which have much more complex temporal structures, as we don't know when the activity performer fails (which is called the point of failure in ...

Qiang Zhou; Gang Wang

2012-10-01T23:59:59.000Z

213

Space-Time Spectral Structure of a GLAS General Circulation Model and a Comparison with Observations  

Science Conference Proceedings (OSTI)

The wavenumber-frequency spectra of geopotential height have been computed from a winter simulation of a GLAS general circulation model, and are compared to the spectra obtained from 15 winters of observed analyses. The variances in several ...

David M. Straus; J. Shukla

1981-05-01T23:59:59.000Z

214

A Model for the Turbulent Structure of the Stratocumulus–Topped Atmospheric Boundary Layer  

Science Conference Proceedings (OSTI)

A multilevel ensemble-averaged model has been developed to study the cloud-topped atmospheric boundary layer (ABL). Turbulence closure is formulated by using an equation for the turbulent kinetic energy and either a diagnostic formulation of the ...

P. G. Duynkerke; A. G. M. Driedonks

1987-01-01T23:59:59.000Z

215

Coherent Structures in a Baroclinic Atmosphere. Part II: A Truncated Model Approach  

Science Conference Proceedings (OSTI)

Many recent studies have been devoted to atmospheric Patterns that persist beyond the synoptic time scale, such as those known as blocking events. In the present paper we explore the possibility that blocking patterns can be modeled with a local ...

Piero Malguzzi; Paola Malanotte Rizzoli

1985-12-01T23:59:59.000Z

216

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

Science Conference Proceedings (OSTI)

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.

NONE

1995-08-01T23:59:59.000Z

217

An Indirect Estimation of Convective Boundary Layer Structure for Use in Pollution Dispersion Models  

Science Conference Proceedings (OSTI)

Dispersion models of the convectively driven atmospheric boundary layer (ABL) often require as input meteorological parameters that are not routinely measured. These parameters usually include the surface fluxes of heat and momentum ?Cpw???and ?u?w?, the ...

James M. Wilczak; Mary Sue Phillips

1986-11-01T23:59:59.000Z

218

Challenges to Reproduce Vegetation Structure and Dynamics in Amazonia Using a Coupled Climate–Biosphere Model  

Science Conference Proceedings (OSTI)

The Amazon rain forest constitutes one of the major global stocks of carbon. Recent studies, including the last Intergovernmental Panel on Climate Change report and the Coupled Climate Carbon Cycle Model Intercomparison Project, have suggested ...

Mônica Carneiro Alves Senna; Marcos Heil Costa; Lucía Iracema Chipponelli Pinto; Hewlley Maria Acioli Imbuzeiro; Luciana Mara Freitas Diniz; Gabrielle Ferreira Pires

2009-09-01T23:59:59.000Z

219

Advancements in the behavioral modeling of fuel elements and related structures  

Science Conference Proceedings (OSTI)

An important aspect of the design and analysis of nuclear reactors is the ability to predict the behavior of fuel elements in the adverse environment of a reactor system. By understanding the thermomechanical behavior of the different materials which constitute a nuclear fuel element, analysis and predictions can be made regarding the integrity and reliability of fuel element designs. The SMiRT conference series, through the division on fuel elements and the post-conference seminars on fuel element modeling, provided technical forums for the international participation in the exchange of knowledge concerning the thermomechanical modeling of fuel elements. This paper discusses the technical advances in the behavioral modeling of fuel elements presented at the SMiRT conference series since its inception in 1971. Progress in the areas of material properties and constitutive relationships, modeling methodologies, and integral modeling approaches was reviewed and is summarized in light of their impact on the thermomechanical modeling of nuclear fuel elements. 34 refs., 5 tabs.

Billone, M.C.; Montgomery, R.O.; Rashid, Y.R.; Head, J.L. (Argonne National Lab., IL (USA); ANATECH Research Corp., San Diego, CA (USA); Royal Naval Coll., Greenwich (UK))

1989-01-01T23:59:59.000Z

220

Determination of Basic Structure-Property Relations for Processing and Modeling in Advanced Nuclear Fuel: Microstructure Evolution and Mechanical Properties  

SciTech Connect

The project objective is to study structure-property relations in solid solutions of nitrides and oxides with surrogate elements to simulate the behavior of fuels of inert matrix fuels of interest to the Advanced Fuel Cycle Initiative (AFCI), with emphasis in zirconium-based materials. Work with actual fuels will be carried out in parallel in collaboration with Los Alamos National Laboratory (LANL). Three key aspects will be explored: microstructure characterization through measurement of global texture evolution and local crystallographic variations using Electron Backscattering Diffraction (EBSD); determination of mechanical properties, including fracture toughness, quasi-static compression strength, and hardness, as functions of load and temperature, and, finally, development of structure-property relations to describe mechanical behavior of the fuels based on experimental data. Materials tested will be characterized to identify the mechanisms of deformation and fracture and their relationship to microstructure and its evolution. New aspects of this research are the inclusion of crystallographic information into the evaluation of fuel performance and the incorporation of statistical variations of microstructural variables into simplified models of mechanical behavior of fuels that account explicitly for these variations. The work is expected to provide insight into processing conditions leading to better fuel performance and structural reliability during manufacturing and service, as well as providing a simplified testing model for future fuel production.

Kirk Wheeler; Manuel Parra; Pedro Peralta

2009-03-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

Structuring energy supply and demand networks in a general equilibrium model to simulate global warming control strategies  

Science Conference Proceedings (OSTI)

Global warming control strategies which mandate stringent caps on emissions of greenhouse forcing gases can substantially alter a country's demand, production, and imports of energy products. Although there is a large degree of uncertainty when attempting to estimate the potential impact of these strategies, insights into the problem can be acquired through computer model simulations. This paper presents one method of structuring a general equilibrium model, the ENergy and Power Evaluation Program/Global Climate Change (ENPEP/GCC), to simulate changes in a country's energy supply and demand balance in response to global warming control strategies. The equilibrium model presented in this study is based on the principle of decomposition, whereby a large complex problem is divided into a number of smaller submodules. Submodules simulate energy activities and conversion processes such as electricity production. These submodules are linked together to form an energy supply and demand network. Linkages identify energy and fuel flows among various activities. Since global warming control strategies can have wide reaching effects, a complex network was constructed. The network represents all energy production, conversion, transportation, distribution, and utilization activities. The structure of the network depicts interdependencies within and across economic sectors and was constructed such that energy prices and demand responses can be simulated. Global warming control alternatives represented in the network include: (1) conservation measures through increased efficiency; and (2) substitution of fuels that have high greenhouse gas emission rates with fuels that have lower emission rates. 6 refs., 4 figs., 4 tabs.

Hamilton, S.; Veselka, T.D.; Cirillo, R.R.

1991-01-01T23:59:59.000Z

222

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

E-Print Network (OSTI)

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

Yuri A. Rylov

2008-10-06T23:59:59.000Z

223

Evaluation of Cloud-Resolving Model Intercomparison Simulations Using TWP-ICE Observations: Precipitation and Cloud Structure  

SciTech Connect

The Tropical Warm Pool – International Cloud Experiment (TWP-ICE) provided high quality model forcing and observational datasets through which detailed model and observational intercomparisons could be performed. In this first of a two part study, precipitation and cloud structures within nine cloud-resolving model simulations are compared with scanning radar reflectivity and satellite infrared brightness temperature observations during an active monsoon period from 19 to 25 January 2006. Most simulations slightly overestimate volumetric convective rainfall. Overestimation of simulated convective area by 50% or more in several simulations is somewhat offset by underestimation of mean convective rain rates. Stratiform volumetric rainfall is underestimated by 13% to 53% despite overestimation of stratiform area by up to 65% because stratiform rain rates in every simulation are much lower than observed. Although simulations match the peaked convective radar reflectivity distribution at low levels, they do not reproduce the peaked distributions observed above the melting level. Simulated radar reflectivity aloft in convective regions is too high in most simulations. In stratiform regions, there is a large spread in model results with none resembling observed distributions. Above the melting level, observed radar reflectivity decreases more gradually with height than simulated radar reflectivity. A few simulations produce unrealistically uniform and cold 10.8-?m infrared brightness temperatures, but several simulations produce distributions close to observed. Assumed ice particle size distributions appear to play a larger role than ice water contents in producing incorrect simulated radar reflectivity distributions aloft despite substantial differences in mean graupel and snow water contents across models.

Varble, Adam; Fridlind, Ann; Zipser, Edward J.; Ackerman, Andrew; Chaboureau, Jean-Pierre; Fan, Jiwen; Hill, Adrian; McFarlane, Sally A.; Pinty, Jean-Pierre; Shipway, Ben

2011-10-04T23:59:59.000Z

224

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

SciTech Connect

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.

S. A. Eide; T. E. Wierman

1999-08-01T23:59:59.000Z

225

Structural engineering of a phage lysin that targets Gram-negative pathogens  

SciTech Connect

Bacterial pathogens are becoming increasingly resistant to antibiotics. As an alternative therapeutic strategy, phage therapy reagents containing purified viral lysins have been developed against Gram-positive organisms but not against Gram-negative organisms due to the inability of these types of drugs to cross the bacterial outer membrane. We solved the crystal structures of a Yersinia pestis outer membrane transporter called FyuA and a bacterial toxin called pesticin that targets this transporter. FyuA is a {beta}-barrel membrane protein belonging to the family of TonB dependent transporters, whereas pesticin is a soluble protein with two domains, one that binds to FyuA and another that is structurally similar to phage T4 lysozyme. The structure of pesticin allowed us to design a phage therapy reagent comprised of the FyuA binding domain of pesticin fused to the N-terminus of T4 lysozyme. This hybrid toxin kills specific Yersinia and pathogenic E. coli strains and, importantly, can evade the pesticin immunity protein (Pim) giving it a distinct advantage over pesticin. Furthermore, because FyuA is required for virulence and is more common in pathogenic bacteria, the hybrid toxin also has the advantage of targeting primarily disease-causing bacteria rather than indiscriminately eliminating natural gut flora.

Lukacik, Petra; Barnard, Travis J.; Keller, Paul W.; Chaturvedi, Kaveri S.; Seddiki, Nadir; Fairman, James W.; Noinaj, Nicholas; Kirby, Tara L.; Henderson, Jeffrey P.; Steven, Alasdair C.; Hinnebusch, B. Joseph; Buchanan, Susan K. (NIH); (WU-MED)

2012-11-13T23:59:59.000Z

226

A supply forecasting model for Zimbabwe's corn sector: a time series and structural analysis  

E-Print Network (OSTI)

The Zimbabwean government utilizes the corn supply forecasts to establish producer prices for the following growing season, estimate corn storage and handling costs, project corn import needs and associated costs, and to assess the Grain Marketing Board's financial resource needs. Thus, the corn supply forecasts are important information used by the government for contingency planning, decision-making, policy-formulation and implementation. As such, the need for accurate forecasts is obvious. The objectives of the study are: (a) determine how changes in the government-established producer price affects the quantity of corn supplied to the Grain Marketing Board by the large-scale corn-producing sector and (b) whether including rainfall or rainfall probabilities into econometric models would result in an improvement of corn supply forecasts compared to current forecasts by the government. In order to accomplish the first objective a supply elasticity model was specified and estimated using ordinary least squares. This model is intended to provide 'de insight to the government regarding the influence of the government-established corn price and other related variables on corn supplied to the Grain Marketing Board by the large-scale producers. Thus, the estimated model would be useful to the government when establishing corn prices in March/April for production in the following growing season (October - February). To achieve the second objective, preliminary analysis was carried out to verify whether there is statistical evidence to support the hypothesis that rainfall cause" corn production and supply, and also corn prices and sales. Specifically the preliminary analysis involved using the Granger causality tests, stationarity tests and innovation accounting (impulse responses and forecast error decomposition). Having verified and quantified the causal effects of rainfall on corn production and supply, the next task was to investigate whether including rainfall and/or drought probabilities into forecasting econometric models would help provide improved out-of-sample forecasts compared to the government's forecasts. The forecasting accuracy of the models (short-run) was evaluated using standard statistical measures such as, the mean square error (MSE), mean absolute percentage error (MAPEI), improved mean absolute percentage error (IMAPE) and Theil's U-statistic, and thereupon select the best model. The results indicated that by incorporating rainfall and/or rainfall probabilities into econometric forecasting models, there was substantial improvement in corn supply forecasts. It follows that the the government would likely find it beneficial to incorporate the rainfall variable into their forecasting effort.

Makaudze, Ephias

1993-01-01T23:59:59.000Z

227

Model Based Structural Evaluation & Design of Overpack Container for Bag-Buster Processing of TRU Waste Drums  

Science Conference Proceedings (OSTI)

This paper describes a materials and computational model based analysis utilized to design an engineered “overpack” container capable of maintaining structural integrity for confinement of transuranic wastes undergoing the cryo-vacuum stress based “Bag-Buster” process and satisfying DOT 7A waste package requirements. The engineered overpack is a key component of the “Ultra-BagBuster” process/system being commercially developed by UltraTech International for potential DOE applications to non-intrusively breach inner confinement layers (poly bags/packaging) within transuranic (TRU) waste drums. This system provides a lower cost/risk approach to mitigate hydrogen gas concentration buildup limitations on transport of high alpha activity organic transuranic wastes. Four evolving overpack design configurations and two materials (low carbon steel and 300 series stainless) were considered and evaluated using non-linear finite element model analyses of structural response. Properties comparisons show that 300-series stainless is required to provide assurance of ductility and structural integrity at both room and cryogenic temperatures. The overpack designs were analyzed for five accidental drop impact orientations onto an unyielding surface (dropped flat on bottom, bottom corner, side, top corner, and top). The first three design configurations failed the bottom and top corner drop orientations (flat bottom, top, and side plates breached or underwent material failure). The fourth design utilized a protruding rim-ring (skirt) below the overpack’s bottom plate and above the overpack’s lid plate to absorb much of the impact energy and maintained structural integrity under all accidental drop loads at both room and cryogenic temperature conditions. Selected drop testing of the final design will be required to confirm design performance.

D. T. Clark; A. S. Siahpush; G. L. Anderson

2004-07-01T23:59:59.000Z

228

STRUCTURAL VALIDATION OF SYSTEM DYNAMICS AND AGENT-BASED SIMULATION MODELS  

E-Print Network (OSTI)

, population dynamics, energy systems, and urban planning. The usefulness of these models is predicated be opened in the bank; efficiency of the oil refinery can be enhanced under the recommended actions including global warming, population dynamics, energy systems, and urban planning simply defy a face

Tesfatsion, Leigh

229

Thermohaline Structure of an Eddy-Resolving North Atlantic Model: The Influence of Boundary Conditions  

Science Conference Proceedings (OSTI)

A T–S volumetric census, with a resolution of 0.2°C and 0.1 psu, for years 20-25 of the World Ocean Circulation Experiment Community Modeling Effort eddy-resolving simulation of the equatorial and North Atlantic Ocean, reveals how the ...

John M. Klinck

1995-06-01T23:59:59.000Z

230

A SURVEY OF COMMODITY MARKETS AND STRUCTURAL MODELS FOR ELECTRICITY PRICES  

E-Print Network (OSTI)

and the methods which have been proposed to handle them in spot and forward price models. We devote special sources, the main production process remains the conversion of fossil fuels like coal, gas and oil. Since and nuclear production as these plants are hardly ever setting the price. In other words, since electricity

Carmona, Rene

231

The Extratropical 40-Day Oscillation in the UCLA General Circulation Model. Part II: Spatial Structure  

Science Conference Proceedings (OSTI)

Intraseasonal oscillations in a 3-yr, perpetual-January simulation are examined using a version of the UCLA GCM that produces no self-sustained Madden–Julian oscillation in the Tropics. A robust, 40-day oscillation is found to arise in the model'...

S. L. Marcus; M. Ghil; J. O. Dickey

1996-07-01T23:59:59.000Z

232

Airflow structures and nano-particle deposition in a human upper airway model  

Science Conference Proceedings (OSTI)

Considering a human upper airway model, or equivalently complex internal flow conduits, the transport and deposition of nano-particles in the 1-150 nm diameter range are simulated and analyzed for cyclic and steady flow conditions. Specifically, using ... Keywords: computational fluid-particle dynamics simulation, human airways, inspiratory flow, nano-size particle deposition

Z. Zhang; C. Kleinstreuer

2004-07-01T23:59:59.000Z

233

Boron diffusion and activation in polysilicon multilayer films for P+ MOS structure: Characterization and modeling  

Science Conference Proceedings (OSTI)

This work deals with in situ boron diffusion and activation in multilayer films: polysilicon (Poly1)/amorphous silicon (Poly2). These films are deposited by LPCVD technique. However, several heat treatments were carried in order to determine the optimal ... Keywords: Activation, Diffusion, Model, Polysilicon, SIMS profile

R. Mahamdi; L. Saci; F. Mansour; P. Temple-Boyer; E. Scheid; L. Jalabert

2009-01-01T23:59:59.000Z

234

Incorporating household structure into a discrete-event simulation model of tuberculosis and HIV  

Science Conference Proceedings (OSTI)

Human immunodeficiency virus (HIV) increases the risks of developing tuberculosis (TB) disease following infection, and speeds up disease progression. This has had a devastating effect on TB epidemics in sub-Saharan Africa, where incidence rates have ... Keywords: Disease modeling, HIV, developing countries, health, simulation, tuberculosis

Georgina R. Mellor; Christine S. M. Currie; Elizabeth L. Corbett

2011-08-01T23:59:59.000Z

235

Modeling of the optical characteristics for Twin-Channel Laser (TCL) structures  

Science Conference Proceedings (OSTI)

The twin-channel laser (TCL) structure was the first laser design which incorporated the use of optical gain in the regions between the elements of an array-type device. In this paper, the authors describe the important parameters affecting the performance of TCL devices and extend our concepts to multielement (n > 2) laser arrays. The calculations indicate that the presence of a uniform gain distribution over the width of the array is necessary for the excitation of the fundamental array mode and to achieve a single lobe far field. Secondly, lateral array mode stability is drastically reduced for arrays having many elements (n > 2) and will be difficult to achieve in practice. Lastly, they find that the near-field intensity in laser array structures is more spatially sensitive to asymetric perturbations induced by either current or geometry nonuniformities than single-element devices. They believe that some of these problems can possibly be minimized by the use of a new laser array geometry which incorporates an unequal number of array elements along the cavity length in order to spatially filter the unwanted array modes.

Figueroa, L.; Holcomb, T.L.; Burghard, K.; Bullock, D.; Morrison, C.R.; Zinkiewicz, L.M.; Evans, G.A.

1986-11-01T23:59:59.000Z

236

Hadron structure in a simple model of quark/nuclear matter  

SciTech Connect

We study a simple model for one-dimensional hadron matter with many of the essential features needed for examining the transition from nuclear to quark matter and the limitations of models based upon hadron rather than quark degrees of freedom. The dynamics are generated entirely by the quark confining force and exchange symmetry. Using Monte Carlo techniques, the ground-state energy, single-quark momentum distribution, and quark correlation function are calculated for uniform matter as a function of density. The quark confinement scale in the medium increases substantially with increasing density. This change is evident in the correlation function and momentum distribution, in qualitative agreement with the changes observed in deep-inelastic lepton scattering. Nevertheless, the ground-state energy is smooth throughout the transition to quark matter and is described remarkably well by an effective hadron theory based on a phenomenological hadron-hadron potential.

Horowitz, C.J.; Moniz, E.J.; Negele, J.W.

1985-04-01T23:59:59.000Z

237

Theoretical model for thin ferroelectric films and the multilayer structures based on them  

SciTech Connect

A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data.

Starkov, A. S., E-mail: starkov@iue.tuwien.ac.at; Pakhomov, O. V. [St. Petersburg National Research Univeristy ITMO, Institute of Refrigeration and Biotechnologies (Russian Federation); Starkov, I. A. [Vienna University of Technology, Institute for Microelectronics (Austria)

2013-06-15T23:59:59.000Z

238

Modeling Mesoscale Cellular Structures and Drizzle in Marine Stratocumulus. Part II: The Microphysics and Dynamics of the Boundary Region between Open and Closed Cells  

Science Conference Proceedings (OSTI)

This is the second of two companion papers on modeling of mesoscale cellular structures and drizzle in marine stratocumulus. In the first, aerosol–cloud–precipitation interactions and dynamical feedbacks were investigated to study the formation ...

Hailong Wang; Graham Feingold

2009-11-01T23:59:59.000Z

239

Modeling the flexibility of alpha helices in protein interfaces : structure based design and prediction of helix-mediated protein-protein interactions  

E-Print Network (OSTI)

Protein-protein interactions play an essential role in many biological functions. Prediction and design of these interactions using computational methods requires models that can be used to efficiently sample structural ...

Apgar, James R. (James Reasoner)

2008-01-01T23:59:59.000Z

240

The Impact of Horizontal Grid Spacing on the Microphysical and Kinematic Structures of Strong Tropical Cyclones Simulated with the WRF-ARW Model  

Science Conference Proceedings (OSTI)

Using the Advanced Weather Research and Forecasting numerical model, the impact of horizontal grid spacing on the microphysical and kinematic structure of a numerically simulated tropical cyclone (TC), and their relationship to storm intensity ...

Alexandre O. Fierro; Robert F. Rogers; Frank D. Marks; David S. Nolan

2009-11-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


241

On homogenized conductivity and fractal structure in a high contrast continuum percolation model  

E-Print Network (OSTI)

In the previous article (S. Matsutani and Y. Shimosako and Y. Wang, Physica A \\bf{391} (2012) 5802-5809) we numerically investigated an electric potential problem with high contrast local conductivities ($\\gamma_0$ and $\\gamma_1$, $0conductivity and the volume fraction $p$ over $[p_c,1]$. In this article, using the duality of the conductivities and the quasi-harmonic properties, we re-investigate these topics to improve these results. We show that at $\\gamma_0\\to0$, the quasi-harmonic potential problem in CPM is quasiconformally equivalent to a random slit problem, which leads us to an observation between the conformal property and the fractal structure at the threshold. Further we extend the domain $[p_c,1]$ of the approximated curve to $[0,1]$ based on the these results, which is partially generalized to three dimensional case. These curves represent well the numerical results of the conductivities.

Shigeki Matsutani; Yoshiyuki Shimosako

2013-11-26T23:59:59.000Z

242

Evaluation of Cloud-Resolving Model Intercomparison Simulations Using TWP-ICE Observations: Precipitation and Cloud Structure  

SciTech Connect

The Tropical Warm Pool - International Cloud Experiment (TWP-ICE) provided high quality model forcing and observational datasets through which detailed model and observational intercomparisons could be performed. In this first of a two part study, precipitation and cloud structures within nine cloud-resolving model simulations are compared with scanning radar reflectivity and satellite infrared brightness temperature observations during an active monsoon period from 19 to 25 January 2006. Most simulations slightly overestimate volumetric convective rainfall. Overestimation of simulated convective area by 50% or more in several simulations is somewhat offset by underestimation of mean convective rain rates. Stratiform volumetric rainfall is underestimated by 13% to 53% despite overestimation of stratiform area by up to 65% because stratiform rain rates in every simulation are much lower than observed. Although simulations match the peaked convective radar reflectivity distribution at low levels, they do not reproduce the peaked distributions observed above the melting level. Simulated radar reflectivity aloft in convective regions is too high in most simulations. 29 In stratiform regions, there is a large spread in model results with none resembling 30 observed distributions. Above the melting level, observed radar reflectivity decreases 31 more gradually with height than simulated radar reflectivity. A few simulations produce 32 unrealistically uniform and cold 10.8-?m infrared brightness temperatures, but several 33 simulations produce distributions close to observed. Assumed ice particle size 34 distributions appear to play a larger role than ice water contents in producing incorrect 35 simulated radar reflectivity distributions aloft despite substantial differences in mean 36 graupel and snow water contents across models. 37

Varble, Adam C.; Fridlind, Ann; Zipser, Ed; Ackerman, Andrew; Chaboureau, Jean-Pierre; Fan, Jiwen; Hill, Adrian; McFarlane, Sally A.; Pinty, Jean-Pierre; Shipway, Ben

2011-06-24T23:59:59.000Z

243

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

Science Conference Proceedings (OSTI)

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.

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

2011-09-15T23:59:59.000Z

244

Using the DEMATEL based network process and structural equation modeling methods for deriving factors influencing the acceptance of smart phone operation systems  

Science Conference Proceedings (OSTI)

Smartphones have emerged as one of the most important consumer-electronic products during the past years. Therefore, researches on factors influencing consumers' behavior and thus, repurchase intention toward smartphones become the most critical issue ... Keywords: decision making trial and evaluation laboratory (DEMATEL), lead user theory, structural equation modeling (SEM), technology acceptance model (TAM)

Chi-Yo Huang; Ming-Jenn Wu; Yu-Wei Liu; Gwo-Hshiung Tzeng

2012-06-01T23:59:59.000Z

245

Structural model of homogeneous As-S glasses derived from Raman spectroscopy and high-resolution XPS  

Science Conference Proceedings (OSTI)

The structure of homogeneous bulk AsxS100-x (25 ? x ? 42) glasses, prepared by conventional melt-quenching method, is investigated using high-resolution XPS and Raman spectroscopy. It is shown that main building blocks of their glass network are the regular AsS3/2 pyramids and sulfur chains. In the S-rich domain, the existence of quasi-tetrahedral (QT) units is deduced from XPS data, but with the concentration not exceeding ~3-5 % of total atomic sites. Therefore, QT units do not appear as primary building blocks of the glass backbone in these materials, and optimally-constrained network may not be an appropriate description for glasses with x glasses, the "chain-crossing" model is only partially applicable to sulfide glasses.

Golovchak, Roman; Shpotyuk, O.; McCloy, John S.; Riley, Brian J.; Windisch, Charles F.; Sundaram, S. K.; Kovalskiy, A. P.; Jain, H.

2010-09-13T23:59:59.000Z

246

Quantum Structure of Field Theory and Standard Model Based on Infinity-free Loop Regularization/Renormalization  

E-Print Network (OSTI)

To understand better the quantum structure of field theory and standard model in particle physics, it is necessary to investigate carefully the divergence structure in quantum field theories (QFTs) and work out a consistent framework to avoid infinities. The divergence has got us into trouble since developing quantum electrodynamics in 1930s, its treatment via the renormalization scheme is satisfied not by all physicists, like Dirac and Feynman who have made serious criticisms. The renormalization group analysis reveals that QFTs can in general be defined fundamentally with the meaningful energy scale that has some physical significance, which motivates us to develop a new symmetry-preserving and infinity-free regularization scheme called loop regularization (LORE). A simple regularization prescription in LORE is realized based on a manifest postulation that a loop divergence with a power counting dimension larger than and equal to the space-time dimension must vanish. The LORE method is achieved without modifying original theory and leads the divergent Feynman loop integrals well-defined to maintain the divergence structure and meanwhile preserve basic symmetries of original theory. The crucial point in LORE is the presence of two intrinsic energy scales which play the roles of ultraviolet cut-off $M_c$ and infrared cut-off $\\mu_s$ to avoid infinities. The key concept in LORE is the introduction of irreducible loop integrals (ILIs) on which the regularization prescription acts, which leads to a set of gauge invariance consistency conditions between the regularized tensor-type and scalar-type ILIs. The evaluation of ILIs with ultraviolet-divergence-preserving (UVDP) parametrization naturally leads to Bjorken-Drell's analogy between Feynman diagrams and electric circuits. The LORE method has been shown to be applicable to both underlying and effective QFTs.

Yue-Liang Wu

2013-12-05T23:59:59.000Z

247

Phase behavior, structure, and properties of model block polymers. Final report, 15 April 1990-14 October 1993  

Science Conference Proceedings (OSTI)

This project brought together three distinct experimental methods in an integrated investigation of the phase behavior, structure and properties of block copolymers in the vicinity of the order-disorder transition. Anionic polymerization of polydiene diblock copolymers followed by catalytic hydrogenation was used to produce three classes of model saturated hydrocarbon materials. Dynamic mechanical spectroscopy and large amplitude dynamic shearing were employed to probe and manipulate, respectively, the melt state microstructure. Small angle neutron scattering (SANS) experiments provided detailed information regarding the structure of the materials. A significant achievement during this work was the development of a dynamic shearing device that could be operated in situ with a SANS instrument. Together with the spectrum of materials produced, this combined scattering-rheology technique has led to a qualitative improvement in the understanding of block copolymer phase behavior, and uncovered a rich polymorphism that is accompanied by dramatic variations in physical properties. Two new parameters have been shown to play a crucial role in determining block copolymer phase behavior. The degree of polymerization, controls the extent of composition fluctuations which strongly affects the types of phases encountered near the order-disorder transition. Conformational asymmetry, which is controlled by the block volume and radius of gyration, leads to different phases on either side of the phase diagram. These effects have not been accounted for theoretically.

Bates, F.S.

1993-10-14T23:59:59.000Z

248

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

E-Print Network (OSTI)

Goals from ASCE 43-05 . . . . . . . . . . . . . . . . . . .of Structural Engineering, ASCE, 116(2):455-474 Dao, N. D. ,Structures Congress, ASCE, Las Vegas, NV De Grandis, S. ,

Keldrauk, Eric Scott

2012-01-01T23:59:59.000Z

249

Phase structure of a generalized Nambu Jona-Lasinio model with Wilson fermions in the mean field or large $N$-expansion  

E-Print Network (OSTI)

We analyze the vacuum structure of a generalized lattice Nambu--Jona-Lasinio model with two flavors of Wilson fermions, such that its continuum action is the most general four-fermion action with 'trivial' color interactions, and having a $SU(2)_V x SU(2)_A$ symmetry in the chiral limit. The phase structure of this model in the space of the two four-fermion couplings shows, in addition to the standard Aoki phases, new phases with $ != 0$, in close analogy to similar results recently suggested by some of us for lattice QCD with two degenerate Wilson fermions. This result shows how the phase structure of an effective model for low energy QCD cannot be entirely understood from Wilson Chiral Perturbation Theory, based on the standard QCD chiral effective Lagrangian approach.

V. Azcoiti; G. Di Carlo; E. Follana; M. Giordano; A. Vaquero

2013-05-08T23:59:59.000Z

250

Structural Materials Modeling  

Science Conference Proceedings (OSTI)

Mar 6, 2013... Xiang Yang3; 1University of Pennsylvania; 2Institute of High Performance Computing; 3Hong Kong University of Science and Technology

251

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

E-Print Network (OSTI)

Deeply Embedded Nuclear Power Plant Structures. ” NUREG/CR–6896, BNL–NUREG–75410–2006, Brookhaven National Laboratory,

Keldrauk, Eric Scott

2012-01-01T23:59:59.000Z

252

The Role of Eddies in Determining the Structure and Response of the Wind-Driven Southern Hemisphere Overturning: Results from the Modeling Eddies in the Southern Ocean (MESO) Project  

Science Conference Proceedings (OSTI)

The Modeling Eddies in the Southern Ocean (MESO) project uses numerical sensitivity studies to examine the role played by Southern Ocean winds and eddies in determining the density structure of the global ocean and the magnitude and structure of ...

Robert Hallberg; Anand Gnanadesikan

2006-12-01T23:59:59.000Z

253

Anti-symmetric spin-orbit force in the effective interaction for the shell model and its effect on nuclear structure  

Science Conference Proceedings (OSTI)

Anti-symmetric spin-orbit force (ALS) in the effective interaction for the shell model and its effect on nuclear structure is discussed. We investigate possible origins of the ALS and the effects on the level schemes of several nuclei.

Tsunoda, N.; Shimizu, N. [Department of Science, University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, I-80126 (Japan); Otsuka, T. [Department of Science, University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, I-80126 (Japan); Center for Nuclear Study, University of Tokyo, Hongo, Bunkyo-ku Tokyo, 113-0033 (Japan) and National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, MI (United States); Suzuki, T. [Department of Physics, College of Humanities and Sciences, Nihon University, Sakurajosui 3, Tokyo 156-8550 (Japan)

2011-05-06T23:59:59.000Z

254

Modeling  

National Nuclear Security Administration (NNSA)

the interconnections between a structural transformation front and a growing crack A.B. Freidin Institute of Problems in Mechanical Engineering Russian Academy of Sciences, St....

255

Classification of Markov processes of M/G/1 type with a tree structure and its applications to queueing models  

Science Conference Proceedings (OSTI)

This paper studies the classification problem of Markov processes of M/G/1 type with a tree structure. It is shown that the classification of positive recurrence, null recurrence, and transience of the Markov processes of interest is determined completely ... Keywords: Lyapunov function, Markov process, Mean drift method, Null recurrence, Positive recurrence, Queueing theory, Transience, Tree structure

Qi-Ming He

2000-03-01T23:59:59.000Z

256

Albedo Feedback, the Meridional Structure of the Effective Heat Diffusivity, and Climatic Sensitivity: Results from Dynamic and Diffusive Models  

Science Conference Proceedings (OSTI)

The sensitivity of a two-level primitive equation atmospheric model to solar constant perturbations is examined in the presence of surface albedo feedback. The model is simplified to the point that a large number of numerical experiments can be ...

Isaac M. Held; David I. Linder; Max J. Suarez

1981-09-01T23:59:59.000Z

257

The Influence of Planetary Boundary Layer Physics on Frontal Structure in the Hoskins-Bretherton Horizontal Shear Model  

Science Conference Proceedings (OSTI)

A series of numerical experiments with the Hoskins-Bretherton horizontal shear model of frontogenesis in an, amplifying, two-dimensional baroclinic wave is performed. The analytic solutions from the Boussinesq, semi-geostrophic model provide ...

Daniel Keyser; Richard A. Anthes

1982-08-01T23:59:59.000Z

258

Thermal Effects of Urban Canyon Structure on the Nocturnal Heat Island: Numerical Experiment Using a Mesoscale Model Coupled with an Urban Canopy Model  

Science Conference Proceedings (OSTI)

A single-layer urban canopy model is incorporated into a simple two-dimensional atmospheric model in order to examine the individual impacts of anthropogenic heating, a large heat capacity, and a small sky-view factor on mesoscale heat island ...

Hiroyuki Kusaka; Fujio Kimura

2004-12-01T23:59:59.000Z

259

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

Science Conference Proceedings (OSTI)

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

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

2009-04-15T23:59:59.000Z

260

An Observational and Modeling Study of Characteristics of Urban Heat Island and Boundary Layer Structures in Beijing  

Science Conference Proceedings (OSTI)

In this paper, the characteristics of urban heat island (UHI) and boundary layer structures in the Beijing area, China, are analyzed using conventional and Moderate Resolution Imaging Spectroradiometer (MODIS) observations. The Weather Research ...

Shiguang Miao; Fei Chen; Margaret A. LeMone; Mukul Tewari; Qingchun Li; Yingchun Wang

2009-03-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

The Vertical Structures of Atmospheric Temperature Anomalies Associated with Two Flavors of El Niño Simulated by AMIP II Models  

Science Conference Proceedings (OSTI)

Recent studies have identified different modes associated with two flavors of El Niño in terms of the three-dimensional structure of atmospheric temperature. The first is a deep-warm mode, which features a coherent zonal mean warming throughout ...

Tianjun Zhou; Jie Zhang

2011-02-01T23:59:59.000Z

262

Models  

E-Print Network (OSTI)

• A very typical statistical/econometric model assumes something like yt ? i.i.d. f (y, x, ?) (1) where f (·) is a parametric family known up to parameters ?. • Parameter estimation: maximum likelihood ˆ?n = arg max ? ln f (Yt, Xt, ?) (2) t • What if the basic model assumptions of (1) are violated? The parametric family may not contain the true model f0(x, y) that generated the data; or the data may not be i.i.d.; etc. Misspecified

Stas Kolenikov; U Of Missouri; U Of Missouri

2007-01-01T23:59:59.000Z

263

Evaluation of the Vertical Structure of Zonally Averaged Cloudiness and Its Variability in the Atmospheric Model Intercomparison Project  

Science Conference Proceedings (OSTI)

Estimates of zonally averaged cloudiness at each pressure level in 24 models participating in the Atmospheric Model Intercomparison Project are compared with the ISCCP C2 as well as the Nimbus 7 (N7) and Warren et al. (hereafter WH) observations. ...

Bryan C. Weare; Amip Modeling Groups

1996-12-01T23:59:59.000Z

264

A Model Study of the Spectral Structure of Boundary-Driven Rossby Waves and Related Altimetric Implications  

Science Conference Proceedings (OSTI)

A two-layer primitive equation box model of the North Pacific Ocean is used to highlight and analyze some general aspects of the linear large-scale boundary-driven oceanic variability that are detectable through altimeter observations. The model ...

Stefano Pierini

2005-02-01T23:59:59.000Z

265

A passive mechanism for thermal stress regulation in micro-machined beam-type structures: Modeling and experiment  

Science Conference Proceedings (OSTI)

In this article, a passive mechanism for thermal stress regulation in micro-bridge structures is proposed. The mechanism is essentially a set of precisely designed parallel chevron beams that replace one of the fixed ends of the micro-bridge. The axial ...

Pezhman A. Hassanpour; Patricia M. Nieva; Amir Khajepour

2012-05-01T23:59:59.000Z

266

Physical and Numerical Contributions to the Structure of Kelvin Wave-CISK Modes in a Spectral Transform Model  

Science Conference Proceedings (OSTI)

“Nonlinear Kelvin wave-CISK modes” are critically assessed as a possible mechanism for the Madden–Julian Oscillation (MJO) with a global spectral transform model and a one-dimensional analog. Convection is parameterized using a simple “positive-...

Adrian J. Matthews; Jason Lander

1999-12-01T23:59:59.000Z

267

Numerical Sensitivity Experiments of Varying Model Physics on the Structure, Evolution and Dynamics of Two Mesoscale Convective Systems  

Science Conference Proceedings (OSTI)

The effects of different model physics and different convective and boundary layer parameterization schemes are investigated using an 18-h nested-grid numerical simulation of the mesoscale convective systems (MCSs) that were responsible for the ...

Da-Lin Zhang; J. Michael Fritsch

1988-01-01T23:59:59.000Z

268

inner-sphere complexation of cations at the rutile-water interface: A concise surface structural interpretation with the CD and MUSIC model  

Science Conference Proceedings (OSTI)

Acid base reactivity and ion-interaction between mineral surfaces and aqueous solutions is most frequently investigated at the macroscopic scale as a function of pH. Experimental data are then rationalized by a variety of surface complexation models. These models are thermodynamically based which in principle does not require a molecular picture. The models are typically calibrated to relatively simple solid-electrolyte solution pairs and may provide poor descriptions of complex multicomponent mineral aqueous solutions, including those found in natural environments. Surface complexation models may be improved by incorporating molecular-scale surface structural information to constrain the modeling efforts. Here, we apply a concise, molecularly-constrained surface complexation model to a diverse suite of surface titration data for rutile and thereby begin to address the complexity of multi-component systems. Primary surface charging curves in NaCl, KCl, and RbCl electrolyte media were fit simultaneously using a charge distribution (CD) and multisite complexation (MUSIC) model [Hiemstra T. and Van Riemsdijk W. H. (1996) A surface structural approach to ion adsorption: the charge distribution (CD) model. J. Colloid Interf. Sci. 179, 488 508], coupled with a Basic Stern layer description of the electric double layer. In addition, data for the specific interaction of Ca2+ and Sr2+ with rutile, in NaCl and RbCl media, were modeled. In recent developments, spectroscopy, quantum calculations, and molecular simulations have shown that electrolyte and divalent cations are principally adsorbed in various inner-sphere configurations on the rutile 110 surface [Zhang Z., Fenter P., Cheng L., Sturchio N. C., Bedzyk M. J., Pr edota M., Bandura A., Kubicki J., Lvov S. N., Cummings P. T., Chialvo A. A., Ridley M. K., Be ne zeth P., Anovitz L., Palmer D. A., Machesky M. L. and Wesolowski D. J. (2004) Ion adsorption at the rutile water interface: linking molecular and macroscopic properties. Langmuir 20, 4954 4969]. Our CD modeling results are consistent with these adsorbed configurations provided adsorbed cation charge is allowed to be distributed between the surface (0-plane) and Stern plane (1-plane). Additionally, a complete description of our titration data required inclusion of outer-sphere binding, principally for Cl which was common to all solutions, but also for Rb+ and K+. These outer-sphere species were treated as point charges positioned at the Stern layer, and hence determined the Stern layer capacitance value. The modeling results demonstrate that a multi-component suite of experimental data can be successfully rationalized within a CD and MUSIC model using a Stern-based description of the EDL. Furthermore, the fitted CD values of the various inner-sphere complexes of the mono- and divalent ions can be linked to the microscopic structure of the surface complexes and other data found by spectroscopy as well as molecular dynamics (MD). For the Na+ ion, the fitted CD value points to the presence of bidenate inner-sphere complexation as suggested by a recent MD study. Moreover, its MD dominance quantitatively agrees with the CD model prediction. For Rb+, the presence of a tetradentate complex, as found by spectroscopy, agreed well with the fitted CD and its predicted presence was quantitatively in very good agreement with the amount found by spectroscopy.

Ridley, Mora K. [Texas Tech University, Lubbock; Hiemstra, T [Oak Ridge National Laboratory (ORNL); Van Riemsdijk, Willem H. [Wageningen University and Research Centre, The Netherlands; Machesky, Michael L. [Illinois State Water Survey, Champaign, IL

2009-01-01T23:59:59.000Z

269

Relationship Between Grain Boundary Structure and Radiation Induced Segregation in a Neutron Irradiated 9 wt. % Cr Model Ferritic/Martensitic Steel  

Science Conference Proceedings (OSTI)

Ferritic/Martensitic (F/M) steels with high Cr content posses the high temperature strength and low swelling rates required for advanced nuclear reactor designs. Radiation induced segregation (RIS) occurs in F/M steels due to solute atoms preferentially coupling to point defect fluxes to defect sinks, such as grain boundaries (GBs). The RIS response of F/M steels and austenitic steels has been shown to be dependent on the local structure of GBs but has only been demonstrated in ion irradiated specimens. A 9 wt. % Cr model alloy steel was irradiated to 3 dpa using neutrons at the Advanced Test Reactor (ATR) to determine the effect of neutron radiation environment on the RIS-GB structure dependence. This investigation found the relationship between GB structure and RIS is also active for F/M steels irradiated using neutrons. The data generated from the neutron irradiation is also compared to RIS data generated using proton irradiations on the same heat of model alloy.

Field, Kevin G [ORNL] [ORNL; Miller, Brandon [Idaho National Laboratory (INL)] [Idaho National Laboratory (INL); Chichester, Heather J.M. [Idaho National Laboratory (INL)] [Idaho National Laboratory (INL); Sridharan, K. [University of Wisconsin, Madison] [University of Wisconsin, Madison; Allen, Todd R. [University of Wisconsin, Madison] [University of Wisconsin, Madison

2014-01-01T23:59:59.000Z

270

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

E-Print Network (OSTI)

"A new energy model for the United States is currently being constructed by staff at five National Laboratories for the Office of Energy Efficiency and Renewable Energy at the Department of Energy. This new model, SEDS (Stochastic Energy Deployment Model), is designed to test the impact of DOE R&D on energy use in the economy. The “stochastic” part of this model will also allow examination of the risks associated with sudden oil shocks, imposition of carbon taxes or trading schemes, and other shocks to the energy economy. SEDS is organized by supply-side and demand-side sectors. The supply-side sectors include electricity, liquid fuels, natural gas, coal, and various renewable energy options. On the demand side, there are the usual suspects: industry, commercial buildings, residential buildings, and two transport sectors, light-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, electro-chemical processes, and other process requirements. As with the CIMS model, these process requirements have ancillary requirements – conveyance, motor drive, pumps, fans, and compressors – that all require certain classes of motors. Lighting and HVAC are considered separately from process requirements. The current version of SEDS, called SEDS-Lite, has technology detail in many sectors, but these are quite simple. The intent is to add detail over time: this year, we expect to add a pulp and paper sector and a iron and steel sector, pull these and petroleum refining out of the aggregate industrial sector, and add the non-manufacturing industrial component to the model. In future years, we expect the industrial detail to replicate CIMS. Our simulations with the industrial sector of SEDS-Lite will show how closely it tracks the NEMS forecasts. Other simulations will demonstrate how the stochastic component can be used to show industry"

Roop, J. M.

2009-05-01T23:59:59.000Z

271

Modeling  

NLE Websites -- All DOE Office Websites (Extended Search)

ALE-AMR ALE-AMR code Wangyi Liu, John Bernard, Alex Friedman, Nathan Masters, Aaron Fisher, Velemir Mlaker, Alice Koniges, David Eder June 4, 2011 Abstract In this paper we describe 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 state of the two phases. The only change to the existing fluid equations is an additional term in the stress tensor. We show results of applying the model to an expanding Al droplet surrounded by an Al vapor, where additional droplets are created. 1 Introduction The Neutralized Drift Compression Experiment II (NDCX II) is an induction accelerator planned for initial commissioning in 2012. The final design calls for a 3 MeV, Li+ ion beam, delivered in a bunch with characteristic pulse duration of 1 ns, and transverse dimension of order 1 mm. The

272

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

DOE Green Energy (OSTI)

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).

Mendelsohn, M.; Kreycik, C.

2012-04-01T23:59:59.000Z

273

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

DOE Green Energy (OSTI)

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.

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

1988-10-01T23:59:59.000Z

274

The Structure and Predictability of the “High-Latitude Mode” in the CSIRO9 General Circulation Model  

Science Conference Proceedings (OSTI)

The CSIRO9 general circulation model shows a zonally symmetric mode of variability, which closely resembles the high-latitude mode (HLM) in middle and high latitudes of the Southern Hemisphere. The leading EOF of the zonal mean zonal wind between ...

John W. Kidson; Ian G. Watterson

1999-11-01T23:59:59.000Z

275

A reactive transport modeling approach to simulate biogeochemical processes in pore structures with pore-scale heterogeneities  

Science Conference Proceedings (OSTI)

Redox processes, including degradation of organic contaminants, are often controlled by microorganisms residing in natural porous media like soils or aquifers. These environments are characterized by heterogeneities at various scales which influence ... Keywords: Bioavailability, Biodegradation, Pore networks, Pore-scale heterogeneity, Reactive transport models, Spatial distributions

Mehdi Gharasoo; Florian Centler; Pierre Regnier; Hauke Harms; Martin Thullner

2012-04-01T23:59:59.000Z

276

Developing custom fire behavior fuel models from ecologically complex fuel structures for upper Atlantic Coastal Plain forests.  

SciTech Connect

Currently geospatial fire behavior analyses are performed with an array of fire behavior modeling systems such as FARSITE, FlamMap, and the Large Fire Simulation System. These systems currently require standard or customized surface fire behavior fuel models as inputs that are often assigned through remote sensing information. The ability to handle hundreds or thousands of measured surface fuelbeds representing the fine scale variation in fire behavior on the landscape is constrained in terms of creating compatible custom fire behavior fuel models. In this study, we demonstrate an objective method for taking ecologically complex fuelbeds from inventory observations and converting those into a set of custom fuel models that can be mapped to the original landscape. We use an original set of 629 fuel inventory plots measured on an 80,000 ha contiguous landscape in the upper Atlantic Coastal Plain of the southeastern United States. From models linking stand conditions to component fuel loads, we impute fuelbeds for over 6000 stands. These imputed fuelbeds were then converted to fire behavior parameters under extreme fuel moisture and wind conditions (97th percentile) using the fuel characteristic classification system (FCCS) to estimate surface fire rate of spread, surface fire flame length, shrub layer reaction intensity (heat load), non-woody layer reaction intensity, woody layer reaction intensity, and litter-lichen-moss layer reaction intensity. We performed hierarchical cluster analysis of the stands based on the values of the fire behavior parameters. The resulting 7 clusters were the basis for the development of 7 custom fire behavior fuel models from the cluster centroids that were calibrated against the FCCS point data for wind and fuel moisture. The latter process resulted in calibration against flame length as it was difficult to obtain a simultaneous calibration against both rate of spread and flame length. The clusters based on FCCS fire behavior parameters represent reasonably identifiable stand conditions, being: (1) pine dominated stands with more litter and down woody debriscomponents than other stands, (2) hardwood and pine stands with no shrubs, (3) hardwood dominated stands with low shrub and high non-woody biomass and high down woody debris, (4) stands with high grass and forb (i.e., non-woody) biomass as well as substantial shrub biomass, (5) stands with both high shrub and litter biomass, (6) pine-mixed hardwood stands with moderate litter biomass and low shrub biomass, and (7) baldcypress-tupelo stands. Models representing these stand clusters generated flame lengths from 0.6 to 2.3 musing a 30 km h{sub 1} wind speed and fireline intensities of 100-1500 kW m{sub 1} that are typical within the range of experience on this landscape. The fuel models ranked 1 < 2 < 7 < 5 < 4 < 3 < 6 in terms of both flame length and fireline intensity. The method allows for ecologically complex data to be utilized in order to create a landscape representative of measured fuel conditions and to create models that interface with geospatial fire models.

Parresol, Bernard, R.; Scott, Joe, H.; Andreu, Anne; Prichard, Susan; Kurth, Laurie

2012-01-01T23:59:59.000Z

277

Assessment of Mercury Emissions, Transport, Fate, and Cycling for the Continental United States: Model Structure and Evaluation  

Science Conference Proceedings (OSTI)

New findings on mercury emissions, cycling, and fate have allowed the development of improved simulation tools and the assembly of verification data sets for modeling mercury transport and deposition. This report describes new simulations of mercury emissions, transport, and deposition from the atmosphere that form an important first step in for relating mercury concentrations and deposition rates at particular geographic locations to their ultimate source regions.

2000-12-15T23:59:59.000Z

278

Geometry and Structural Properties for the Controls Advanced Research Turbine (CART) from Model Tuning: August 25, 2003--November 30, 2003  

DOE Green Energy (OSTI)

The Controls Advanced Research Turbine (CART) is a modified Westinghouse WWG-0600 machine rated at 600 kW. It is located at the National Wind Technology Center (NWTC) in Boulder, Colorado, and has been installed to test new control schemes for power and load regulation. In its original configuration, the WWG-0600 uses a synchronous generator, fluid coupling, and hydraulic collective pitch actuation. However, the CART is fitted with an induction generator, rigid coupling, and individual electromechanical pitch actuators. The rotor runs upwind of the tower and consists of two blades and a teetering hub. In order to design advanced control schemes for the CART, representative computational models are essential.

Stol, K. A.

2004-09-01T23:59:59.000Z

279

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

E-Print Network (OSTI)

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

Y. Wei; D. J. Durian

2012-09-05T23:59:59.000Z

280

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

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.

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

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281

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  

Science Conference Proceedings (OSTI)

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.

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

282

Probing The Electronic Structure of the Di-iron Subsite of[Fe] -hydrogenase: A Photoelectron Spectroscopic Study of Fe(I)- Fe(I) Model Complexes  

Science Conference Proceedings (OSTI)

The electronic structures of a series of Fe(I)-Fe(I) model complexes of the di-iron subsite of[Fe]-hydrogenase,[(mu- PDT)Fe-2(CO)(4)(CN)(2)](2-) (1),[Fe- 2(CO)(4)(MeSCH2C(Me)(CH2S)(2))(CN)(2)](2-) (II),[Fe- 2(CO)(4)(PhCH2SCH2C(Me)-(CH2S)(2))(CN)(2)](2-) (III),[Fe- 2(CO)(4)(PhCH2SCH2C(Me) (CH2S)(2))(CN)](-) (IV), and[Fe- 2(CO)(4)(MeSCH2C(Me)(CH2S)(2))(CN)](-) (V), were investigated in the gas phase using photodetachment photoelectron spectroscopy. The adiabatic electron detachment energy (ADE) of each species and the intramolecular Coulomb repulsion for the doubly charged species were obtained. The ADEs correspond to the intrinsic redox potentials (in vacuo) of reactions involving the Fe(I)-Fe(I)/Fe(I)-Fe(II) couples in these compounds. The photoelectron spectra were understood and qualitatively assigned by comparing with that of Fe-2(CO)(6)S- 2, which has been well studied previously and exhibits similar valence spectral features as I-V. A''normal level scheme'' is suggested for the electronic structure of these low spin di- iron compounds, in which all occupied 3d levels lie above all occupied ligand levels. We also observed subtle differences in the electronic structures of the five di-iron complexes due to the slightly different ligand environments.

Yang, Xin; Razavet, Mathieu; Wang, Xue B.; Pickett, Chris J.; Wang, Lai S.

2003-06-12T23:59:59.000Z

283

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

E-Print Network (OSTI)

in a composite wind turbine rotor blade," Structural Healthdetection in composite wind turbine blades," Journal offor structural monitoring of wind turbine rotor blades," in

Taylor, Stuart Glynn

2013-01-01T23:59:59.000Z

284

data structure  

Science Conference Proceedings (OSTI)

Definition of data structure, possibly with links to more information and implementations. NIST. data structure. (definition). ...

2013-11-08T23:59:59.000Z

285

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

Science Conference Proceedings (OSTI)

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.

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

286

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

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

Koffas, Telly Stelianos

2004-05-15T23:59:59.000Z

287

Modeling the Nanophase Structural Dynamics of Phenylated Sulfonated Poly Ether Ether Ketone Ketone (Ph-SPEEKK) Membranes as a Function of Hydration  

DOE Green Energy (OSTI)

Solvated phenylated sulfonated poly ether ether ketone ketone (Ph-SPEEKK) membranes in the presence of hydronium ions were modeled by classical molecular dynamics simulations. The characterization of the nanophase structure and dynamics of such membranes was carried out as a function of the water content lambda, where lambda is the number of water molecules per sulfonate group, for lambda values of 3.5, 6, 11, 25, and 40. Analysis of pair correlation functions supports the experimental observation of membrane swelling upon hydration as well the increase in water and hydronium ion diffusion with increasing lambda. While the average number of hydrogen bonds between hydronium ions and sulfonate groups is dramatically affected by the hydration level, the average lifetime of the hydrogen bonds remains essentially constant. The membrane is found to be relatively rigid and its overall flexibility shows little dependence on water content. Compared to Nafion, water and ion diffusion coefficients are considerably smaller at lower hydration levels and room temperature. However, at higher lambda values of 25 and 40 these coefficients are comparable to those in Nafion at a lambda value of 16. This study also shows that water diffusion in Ph-SPEEKK membranes at low hydration levels can be significantly improved by raising the temperature with important implications for proton conductivity.

Lins, Roberto D.; Devanathan, Ramaswami; Dupuis, Michel

2011-03-03T23:59:59.000Z

288

A Modeling Study on the Development of a Bowing Structure and Associated Rear Inflow within a Squall Line over South China  

Science Conference Proceedings (OSTI)

Through convection-permitting simulations, this study examines a large bowing structure within a squall line that occurred during the rainy season in South China. The bowing structure is closely associated with a local enhancement of (and balance ...

Zhiyong Meng; Fuqing Zhang; Paul Markowski; Duochang Wu; Kun Zhao

2012-04-01T23:59:59.000Z

289

Microphysical Structure of the Marine Boundary Layer under Strong Wind and Spray Formation as Seen from Simulations Using a 2D Explicit Microphysical Model. Part II: The Role of Sea Spray  

Science Conference Proceedings (OSTI)

The effect of sea spray on the thermodynamics and microphysical structure of the lowest 400-m layer under strong wind speeds is investigated using a 2D hybrid Lagrangian–Eulerian model with spectral bin microphysics. A large number of adjacent and ...

J. Shpund; J. A. Zhang; M. Pinsky; A. Khain

2012-12-01T23:59:59.000Z

290

Boron: Modeling, Superconductivity  

Science Conference Proceedings (OSTI)

Oct 8, 2012 ... Boron, Boron Compounds, and Boron Nanomaterials: Structure, Properties, Processing and Applications: Boron: Modeling, Superconductivity

291

LLM and X-FEM based interface modeling of fluid---thin structure interactions on a non-interface-fitted mesh  

Science Conference Proceedings (OSTI)

This paper presents a non-interface-fitted mesh method for fluid---thin structure interactions. The key components are the Lagrangian Lagrange-multiplier (LLM) method and the extended finite element method (X-FEM). The LLM couples fluid and thin structure ... Keywords: Extended finite element method (X-FEM), Fluid---structure interactions (FSI), Interface continuity and discontinuity, Lagrangian Lagrange-multiplier (LLM), Non-interface-fitted mesh

Tomohiro Sawada; Akira Tezuka

2011-09-01T23:59:59.000Z

292

Nonlinear behavior of reinforced concrete structures under seismic excitation  

E-Print Network (OSTI)

Exploring nonlinear behavior of structures through structural analysis software can be time and computer processing intensive especially with complicated structural models. This paper will explore the nonlinear behavior ...

Pires, Matthew Anthony

2013-01-01T23:59:59.000Z

293

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

E-Print Network (OSTI)

in a composite wind turbine rotor blade," Structural Healthmonitoring of wind turbine rotor blades," in progress 2013.in a composite wind turbine rotor blade." The dissertation

Taylor, Stuart Glynn

2013-01-01T23:59:59.000Z

294

VISUALS: Crystal Structure Animations - TMS  

Science Conference Proceedings (OSTI)

Jul 2, 2008 ... This site contains animated ball and stick models of anhydrite, aragonite, barite, beryl, biotite, calcite, ... "Crystal Structure Animations.

295

Effect of Turbulence Models and Spatial Resolution on Resolved Velocity Structure and Momentum Fluxes in Large-Eddy Simulations of Neutral Boundary Layer Flow  

Science Conference Proceedings (OSTI)

This paper demonstrates the importance of high-quality subfilter-scale turbulence models in large-eddy simulations by evaluating the resolved-scale flow features that result from various closure models. The Advanced Regional Prediction System (...

Francis L. Ludwig; Fotini Katopodes Chow; Robert L. Street

2009-06-01T23:59:59.000Z

296

Understanding Thermodynamics and Structural Dynamics in ...  

Science Conference Proceedings (OSTI)

... talk will cover work done on understanding the thermodynamics and structural ... behavior can be modeled using a number of thermodynamic models ...

297

Application of the Aqueous Porous Pathway Model to Quantify the Effect of Sodium Lauryl Sulfate on Ultrasound-Induced Skin Structural Perturbation  

E-Print Network (OSTI)

This study investigated the effect of sodium lauryl sulfate (SLS) on skin structural perturbation when utilized simultaneously with low-frequency sonophoresis (LFS). Pig full-thickness skin (FTS) and pig split-thickness ...

Polat, Baris E.

298

Generic-model based human-body modeling  

Science Conference Proceedings (OSTI)

This paper presents a generic-model based human-body modeling method which take the anatomical structure of the human body into account. The generic model contains anatomical structure of bones and muscles of the human body. For a given target skin mesh, ... Keywords: anatomically-based modeling, generic model, human body modeling

Xiaomao Wu; Lizhuang Ma; Ke-Sen Huang; Yan Gao; Zhihua Chen

2005-09-01T23:59:59.000Z

299

Market Structure Across Retail Formats  

Science Conference Proceedings (OSTI)

We study how market structure within a product category varies across retail formats. Building on the literature on internal market structure, we estimate a joint store and brand choice model where the loading matrix of brand attributes are allowed to ... Keywords: brand maps, heterogeniety, market structure, retail formats

Karsten Hansen; Vishal Singh

2009-07-01T23:59:59.000Z

300

Visible structures  

E-Print Network (OSTI)

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 ...

Conway, Helene Marie

1991-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

Structural Collapse  

Science Conference Proceedings (OSTI)

... areas. The living room and bedroom areas of each structure were ignited simultaneously using electric matches. Peak ...

2013-07-16T23:59:59.000Z

302

Microphysical and Thermodynamic Structure and Evolution of the Trailing Stratiform Regions of Mesoscale Convective Systems during BAMEX. Part II: Column Model Simulations  

Science Conference Proceedings (OSTI)

This study employed a nondynamic microphysical column model to evaluate the degree to which the microphysical processes of sublimation, melting, and evaporation alone can explain the evolution of the relative humidity (RH) and latent cooling ...

Joseph A. Grim; Greg M. McFarquhar; Robert M. Rauber; Andrea M. Smith; Brian F. Jewett

2009-04-01T23:59:59.000Z

303

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)

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 ...

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

2005-01-01T23:59:59.000Z

304

Modeling the large-scale structure of a barchan S. Worman , A.B. Murray , R. Littlewood , B. Andreotti and P. Claudin  

E-Print Network (OSTI)

better fracture fluid cleanup from both the fracture and the matrix. As many of these tight gas sand clean-up of fracture fluid residues. In addition, many tight gas sand reservoirs display waterModeling Frac-Packs and Fracture Propagation in Poorly Consolidated Sands Ruben Juanes and Mukul M

Claudin, Philippe

305

The Mesoscale and Microscale Structure and Organization of Clouds and Precipitation in Midlatitude Cyclones. VIII: A Model for the “Seeder-Feeder” Process in Warm-Frontal Rainbands  

Science Conference Proceedings (OSTI)

Previous field studies have indicated that warm-frontal rainbands form when ice particles from a “seeder” cloud grow as they fall through a lower-level “feeder” cloud. In this paper we present results from a parameterized numerical model of the ...

Steven A. Rutledge; Peterv Hobbs

1983-05-01T23:59:59.000Z

306

Proc. ACM/SIGGRAPH Symposium on Solid State Modeling and Applications, Montreal, Quebec, Canada, May 1993 A COMPUTATIONAL APPROACH TO THE DESIGN OF MICROMECHANICAL HINGED STRUCTURES  

E-Print Network (OSTI)

Proc. ACM/SIGGRAPH Symposium on Solid State Modeling and Applications, Montreal, Quebec, Canada Investigator award to Bruce Donald, and in part by the Air Force O ce of Sponsored Research, the Mathemat- ical motion of the water moves the parts into their nal #12;Proc. ACM/SIGGRAPH Symposium on Solid State

307

Transient Response of the Hadley Centre Coupled Ocean-Atmosphere Model to Increasing Carbon Dioxide. Part II: Spatial and Temporal Structure of Response  

Science Conference Proceedings (OSTI)

A high-resolution (2.75° lat × ° 3.75° long) coupled ocean-atmosphere model has been used to simulate the transient response of climate to a gradual increase in atmospheric carbon dioxide concentrations. Although the radiative forcing increases ...

J. M. Murphy; J. F. B. Mitchell

1995-01-01T23:59:59.000Z

308

Structural Databases  

Science Conference Proceedings (OSTI)

... c) http://bioinfo.nist.gov/biofuels/ A resource for Biofuels. ... Biofuels database (c) is a structural resource for biofuels research. ...

2012-10-01T23:59:59.000Z

309

Petroleum Market Model (PMM) - 2002 EIA Models Directory  

U.S. Energy Information Administration (EIA)

Model Structure: FORTRAN callable subroutines, which update the linear programming matrix, re ... and State Energy Price and Expenditure Report.

310

Protein Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Protein Structure Protein Structure Name: Chris Location: N/A Country: N/A Date: N/A Question: what are the four levels or structure of protien Replies: Hi Chris... as you must know proteins are made of amino acids arranged in polypeptide chains, and the order of them in these chains is called primary structure. The regular way in which the polypeptide chains are arranged in space to form a protein molecule is called secondary structure. The arrangement of the three-dimensional structure of the polypeptide chain in space is the tertiary structure. The arrangement of the combination of two or more polypeptide chains constitutes the quartenary structure. Quite simple, isn't? If you just remember that the molecular weights of proteins range usually from 10,000 to 100,000 daltons (one dalton is the weight of one hydrogen atom) and that 20 different amino-acids in a chain 100 amino acids long can be arranged in far more than 10 to its 100 potency ( number 1 followed by 100 zeroes) ways!

311

Photovoltaics Business Models  

DOE Green Energy (OSTI)

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.

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

2008-02-01T23:59:59.000Z

312

Structural Testing  

DOE Green Energy (OSTI)

Structural testing at the National Wind Technology Center (NWTC) offers many benefits to wind turbine companies. NWTC includes a new high bay large enough to test any blade expected during the next 5 years. (There are four test bays.) In 1995, NWTC developed a saphisticated data acquisition system, known as the Blade Structural Testing Real-time Acquisition Interface Network (BSTRAIN), to monitor structural testing through 24-hour continuous video surveillance. NWTC recommends ultimate static-strength and fatigue testing, with nondestructive testing in some cases (vibrational testing is covered in a separate information sheet).

NONE

1996-06-01T23:59:59.000Z

313

Hydrogen embrittlement of structural steels.  

DOE Green Energy (OSTI)

Carbon-manganese steels are candidates for the structural materials in hydrogen gas pipelines, however it is well known that these steels are susceptible to hydrogen embrittlement. Decades of research and industrial experience have established that hydrogen embrittlement compromises the structural integrity of steel components. This experience has also helped identify the failure modes that can operate in hydrogen containment structures. As a result, there are tangible ideas for managing hydrogen embrittement in steels and quantifying safety margins for steel hydrogen containment structures. For example, fatigue crack growth aided by hydrogen embrittlement is a key failure mode for steel hydrogen containment structures subjected to pressure cycling. Applying appropriate structural integrity models coupled with measurement of relevant material properties allows quantification of safety margins against fatigue crack growth in hydrogen containment structures. Furthermore, application of these structural integrity models is aided by the development of micromechanics models, which provide important insights such as the hydrogen distribution near defects in steel structures. The principal objective of this project is to enable application of structural integrity models to steel hydrogen pipelines. The new American Society of Mechanical Engineers (ASME) B31.12 design code for hydrogen pipelines includes a fracture mechanics-based design option, which requires material property inputs such as the threshold for rapid cracking and fatigue crack growth rate under cyclic loading. Thus, one focus of this project is to measure the rapid-cracking thresholds and fatigue crack growth rates of line pipe steels in high-pressure hydrogen gas. These properties must be measured for the base materials but more importantly for the welds, which are likely to be most vulnerable to hydrogen embrittlement. The measured properties can be evaluated by predicting the performance of the pipeline using a relevant structural integrity model, such as that in ASME B31.12. A second objective of this project is to enable development of micromechanics models of hydrogen embrittlement in pipeline steels. The focus of this effort is to establish physical models of hydrogen embrittlement in line pipe steels using evidence from analytical techniques such as electron microscopy. These physical models then serve as the framework for developing sophisticated finite-element models, which can provide quantitative insight into the micromechanical state near defects. Understanding the micromechanics of defects can ensure that structural integrity models are applied accurately and conservatively.

Somerday, Brian P.

2010-06-01T23:59:59.000Z

314

Deployable structures  

E-Print Network (OSTI)

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 ...

Hernández Merchan, Carlos Henrique

1987-01-01T23:59:59.000Z

315

SUPPORT STRUCTURE  

DOE Patents (OSTI)

The core support structure for fuel elements of a fast reactor is described. The support structure comprises a nest of tubes of alternately long and short length in longitudinally parallel relationship and arranged in a symmetrical hexagonal lattice. Each tube has a hexagonal section of flat contact faces disposed intermediate its ends and at points wherein tube pairs are engaged in face to face contact. One of each pair of adjacent tubes is slotted to receive the intersecting portion of the other tube of the pair, the intersecting portion bearing against the fuel element contained in the slotted tube for locating the element therein. (AEC)

Tatlock, J.; Glass, J.A.F.

1962-08-14T23:59:59.000Z

316

Chirality-Mediated Mechanical and Structural Properties of ...  

Science Conference Proceedings (OSTI)

... The NSD value is a quantitative indicator of the structural similarity of the aligning models. ... Model. 2006, 12, 462?467. ... (37) Konarev, PV; Volkov, VV ...

2012-12-20T23:59:59.000Z

317

Nanocrystal structures  

SciTech Connect

A structure including a grating and a semiconductor nanocrystal layer on the grating, can be a laser. The semiconductor nanocrystal layer can include a plurality of semiconductor nanocrystals including a Group II-VI compound, the nanocrystals being distributed in a metal oxide matrix. The grating can have a periodicity from 200 nm to 500 nm.

Eisler, Hans J. (Stoneham, MA); Sundar, Vikram C. (Stoneham, MA); Walsh, Michael E. (Everett, MA); Klimov, Victor I. (Los Alamos, NM); Bawendi, Moungi G. (Cambridge, MA); Smith, Henry I. (Sudbury, MA)

2008-12-30T23:59:59.000Z

318

Solving the structure of metakaolin  

SciTech Connect

Metakaolin has been used extensively as a cement additive and paint extender, and recently as a geopolymer precursor. This disordered layered aluminosilicate is formed via the dehydroxylation of kaolinite. However, an accurate representation of its atomic structure has bever before been presented. Here, a novel synergy between total scattering and density functional modeling is presented to solve the structure of metakaolin. The metastable structure is elucidated by iterating between least-squares real-space refinement using neutron pair distribution function data, and geometry optimization using density functional modeling. The resulting structural representation is both energetically feasible and in excellent agreement with experimental data. This accurate structure of metakaolin provides new insight into the local environment of the aluminum atoms, with evidence of the existence of tri-coordinated aluminum. By the availability of this detailed atomic description, there exists the opportunity to tailor chemical and mechanical processes involving metakaolin at the atomic level to obtain optimal performance at the macro-scale.

Proffen, Thomas E [Los Alamos National Laboratory; White, Claire E [Los Alamos National Laboratory; Provis, John L [UNIV. OF MELBOURNE; Riley, Daniel P [UNIV. OF MELBOURNE; Van Deventer, Jannie S J [UNIV. OF MELBOURNE

2009-01-01T23:59:59.000Z

319

2008 Model Fuel Cell Car Competition  

NLE Websites -- All DOE Office Websites (Extended Search)

Model Car Competition Regional Structure Design Competition Structure Judges will grade one car from each school. Each judge can give up to 35 points per car as follows:...

320

passive data structure  

Science Conference Proceedings (OSTI)

Definition of passive data structure, possibly with links to more information and implementations. NIST. passive data structure. (data structure). ...

2013-08-23T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

Protein structure classification by structural transformatio  

Science Conference Proceedings (OSTI)

Protein structure classification plays an important role in understanding the relationships among structure and sequence. Recently, as the number of known protein structure are increasing steeply, automatic classification is highly required. This paper ... Keywords: Brookhaven Protein Data Bank, automatic classification, molecular biophysics, primitive operations, protein folds, protein structure classification, secondary structural elements, sequence, structural transformation

T. Ohkawa; D. Namihira; N. Komoda; A. Kidera; H. Nakamura

1996-11-01T23:59:59.000Z

322

The NMC Nested Regional Spectral Model  

Science Conference Proceedings (OSTI)

A nested primitive equation regional spectral model is developed. The model consists of two components—a low-resolution global spectral model and a high-resolution regional spectral model. The two components have identical vertical structure and ...

Hann-Ming Henry Juang; Masao Kanamitsu

1994-01-01T23:59:59.000Z

323

Ocean Skeletal Structures Hypotheses and Interpretation  

E-Print Network (OSTI)

In this paper we discuss hypotheses on formation of ocean skeletal structures. These structures entered the ocean together with atmospheric precipitation and were assembled from fragments of skeletal structures present in clouds. We base interpretation of this phenomenon on surface tension forces between fundamental tubular blocks of the investigated structures that may also occur beneath the ocean surface. A capillary model is presented to explain formation of a network of interacting tubes. Data about the nature of ocean skeletal structures can be instrumental in modeling many processes associated with physics of the ocean.

Rantsev-Kartinov, V A

2010-01-01T23:59:59.000Z

324

Ocean Skeletal Structures Hypotheses and Interpretation  

E-Print Network (OSTI)

In this paper we discuss hypotheses on formation of ocean skeletal structures. These structures entered the ocean together with atmospheric precipitation and were assembled from fragments of skeletal structures present in clouds. We base interpretation of this phenomenon on surface tension forces between fundamental tubular blocks of the investigated structures that may also occur beneath the ocean surface. A capillary model is presented to explain formation of a network of interacting tubes. Data about the nature of ocean skeletal structures can be instrumental in modeling many processes associated with physics of the ocean.

V. A. Rantsev-Kartinov; C. G. Parigger

2010-04-20T23:59:59.000Z

325

LIMIT STATES BEHAVIOUR OF PRESTRESSED CONTAINMENT STRUCTURES Sami Rizkalla, Ph.D., P.Eng.  

E-Print Network (OSTI)

-CANDU PHW containment structure. Practical considerations in the construction and testing of the model

326

Airfoil structure  

DOE Patents (OSTI)

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.

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

1998-01-01T23:59:59.000Z

327

Airfoil structure  

DOE Patents (OSTI)

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.

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

1998-01-13T23:59:59.000Z

328

Eliciting information for product modeling using process modeling  

Science Conference Proceedings (OSTI)

A product model is a formal and structured definition of product information. The most common procedure for defining a product data model is to first describe the business and/or engineering process in a formal process model, then to create a product ... Keywords: CASE, GTPPM, Information flow, Process model, Product model, STEP

Ghang Lee; Charles M. Eastman; Rafael Sacks

2007-08-01T23:59:59.000Z

329

Reliability-based framework for fatigue damage prognosis of bonded structural elements in aerospace composite structures  

E-Print Network (OSTI)

model for joint wave and wind loads on offshore structures,UAV wing, offshore platforms, and composite wind turbinesuch as wind turbines, critical components in offshore

Gobbato, Maurizio

2011-01-01T23:59:59.000Z

330

Structural Equation Modeling For Travel Behavior Research  

E-Print Network (OSTI)

variables. However, car usage was found to be complementaryconcerning reductions in car usage, and feelings related toPre-commitment and usage: Season tickets, cars and travel.

Golob, Thomas F.

2001-01-01T23:59:59.000Z

331

Structural Equation Modeling for Travel Behavior Research  

E-Print Network (OSTI)

variables. However, car usage was found to be complementaryconcerning reductions in car usage, and feelings related toPre-commitment and usage: Season tickets, cars and travel.

Golob, Thomas F.

2001-01-01T23:59:59.000Z

332

Structural Equation Modeling For Travel Behavior Research  

E-Print Network (OSTI)

variables. However, car usage was found to be complementaryconcerning reductions in car usage, and feelings related toPre-commitment and usage: Season tickets, cars and travel.

Golob, Thomas F.

2011-01-01T23:59:59.000Z

333

Functional Decomposition: Modeling, Analysis, and Structure  

Science Conference Proceedings (OSTI)

Table 5   Examples of common energy flows...Table 5 Examples of common energy flows displacement power deflection/strain electricity human force friction force solar energy light rotation time vibration magnetism pneumatic power oscillating force sound (acoustic) linear force stress torque heat noise hydraulic power pressure...

334

Supramolecular structures modeling photosynthetic reaction center function  

Science Conference Proceedings (OSTI)

Work in our laboratory has focused on the influence of solvent motion on the rates and energetics of photochemical charge separation in glassy solids. The efficiencies of many nonadiabatic electron transfer reactions involving photochemical electron donors with relatively low excited state energies, such as porphyrins and chlorophylls, are poor in the solid state. Recent work has shown that placing a porphyrin-acceptor system in a glassy solid at low temperature significantly raises the energy of ks ion-pair state. This destabilization can be as much as 0.8 eV relative to the ion pair state energy in a polar liquid. This contrasts sharply with photosynthetic reaction centers, which maintain medium-independent electron transfer rates with relatively small free energies of charge separation. Using this information we have set out to design photochemical systems that produce long-lived radical ion pairs in glassy solids with high quantum efficiency. These systems maintain their efficiency when placed in other glassy matrices, such as polymers. An important consequence of this effort is the design of molecules that minimize the electronic interaction between the oxidized donor and reduced acceptor. This minimization can be attained by careful design of the spacer groups linking the donor and acceptor and by using more than a single electron transfer step to increase the distance between the separated charges as is done in natural photosynthesis.

Wasielewski, M.R.; Gaines, G.L. III; Gosztola, D.; Niemczyk, M.P.; Svec, W.A.

1992-08-20T23:59:59.000Z

335

Solidification Modeling of Alloy 718 Structural Castings  

Science Conference Proceedings (OSTI)

phenomena such as heat transfer, fluid flow, thermal stress, microstructure ... For convenience, rectangular instead of circular cross-sections were used for the ...

336

Mathematical modelings of smart materials and structures  

E-Print Network (OSTI)

symmetric (its components are unchanged under any permutations of indexes) and traceless (the trace and constitutive equations supplied by the condensation M of M with respect to the maintained components of (e originates in [1], who showed that mesoscale arrangements of matter can be seen as minimizers of an energy

337

Mathematical modelings of smart materials and structures  

E-Print Network (OSTI)

symmetric (its components are unchanged under any permutations of indexes) and traceless (the trace and constitutive equations supplied by the condensation M of M with respect to the maintained components of (e be seen as minimizers of an energy linked to the macroscopic behavior of solids. The need of an up to date

338

Interface Structures: Characterization, Theory, and Modeling  

Science Conference Proceedings (OSTI)

Mar 14, 2012 ... Program Organizers: Jian Wang, Los Alamos National Laboratory; Nathan ... the US Department of Energy, Office of Science, Office of Basic Sciences. ... due to the low angular resolution and small field of view, respectively.

339

Preliminary Results from the Structural Model  

E-Print Network (OSTI)

,3985,125 Natural gas deliveries (million Mcf) 24.61 %13098 Allowance price ($/ton) 2.35 %976953 Coal deliveries,4468,583 SO2 emissions (thousand tons) 5.06 %5,3985,125 Natural gas deliveries (million Mcf) 2.56 %976951 Coal: reference case n Actual generation, demand, and emissions n Optimized coal and natural gas flows o Case B

Tesfatsion, Leigh

340

Four-valued Knowledge Augmentation for Representing Structured Documents  

E-Print Network (OSTI)

Structured documents are composed of objects with a content and a logical structure. The effective retrieval of structured documents requires models that provide for a content-based retrieval of objects that takes into account their logical structure, so that the relevance of an object is not solely based on its content, but also on the logical structure among objects.

Mounia Lalmas; Thomas Roelleke

2002-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

The structure of cosmic time  

E-Print Network (OSTI)

Following the approach of Julien Lesgourgues [1], we analyze the mathematical structure of the time co-ordinate of present day cosmological models, where these models include a cosmological constant term to account for the observed acceleration of the universe [2], [3]: we find that in all cases, except for a set of measure zero in the parameter space, the time is given by an (abelian) integral on a torus; the imaginary period of this integral then gives a natural periodicity in imaginary time for the universe; following Stephen Hawking [4], [5], this periodicity may be interpreted either as giving a fundamental mass scale for the universe, or (using Planck’s constant) a fundamental temperature, or both. The precise structure that emerges suggests that the structure of time can be regarded as an order parameter arising perhaps in a phase transition in the early universe; one might hope that this structure

George Sparling

2006-01-01T23:59:59.000Z

342

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  

SciTech Connect

We present time-resolved broadband 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 to be delayed with respect to the {gamma}-ray emission by about 10 days. X-ray observations reveal a pair of 'isolated' flares separated by {approx}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 millimeter (mm)/submillimeter (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 propagation of the emitting region along a curved trajectory, we can explain the evolution of the broadband spectra during the {gamma}-ray flaring event by a shift of its location from {approx}1 pc to {approx}4 pc from the central black hole. On the other hand, if the {gamma}-ray flare is generated instead at sub-pc distance from the central black hole, the far-infrared break can be explained by synchrotron self-absorption. We also model the low spectral state, dominated by the mm/sub-mm peaking synchrotron component, and suggest that the corresponding inverse-Compton component explains the steady X-ray emission.

Hayashida, M.; Madejski, G. M.; Chiang, J.; Blandford, R. D.; Buehler, R. [Kavli Institute for Particle Astrophysics and Cosmology, SLAC National Accelerator Laboratory, Stanford University, 2575 Sand Hill Road M/S 29, Menlo Park, CA 94025 (United States); Nalewajko, K. [University of Colorado, UCB 440, Boulder, CO 80309 (United States); Sikora, M. [Nicolaus Copernicus Astronomical Center, 00-716 Warsaw (Poland); Wehrle, A. E. [Space Science Institute, Boulder, CO 80301 (United States); Ogle, P. [Infrared Processing and Analysis Center, California Institute of Technology Pasadena, CA 91125 (United States); Collmar, W. [Max-Planck Institut fuer Extraterrestrische Physik, 85748 Garching (Germany); Larsson, S. [Department of Physics, Stockholm University, AlbaNova, SE-106 91 Stockholm (Sweden); Fukazawa, Y.; Itoh, R. [Department of Physical Sciences, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8526 (Japan); Stawarz, L. [Institute of Space and Astronautical Science, JAXA, 3-1-1 Yoshinodai, Chuo-ku, Sagamihara, Kanagawa 252-5210 (Japan); Richards, J. L.; Max-Moerbeck, W.; Readhead, A. [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, Pasadena, CA 91125 (United States); Cavazzuti, E.; Ciprini, S. [Agenzia Spaziale Italiana (ASI) Science Data Center, I-00044 Frascati (Roma) (Italy); Gehrels, N., E-mail: mahaya@slac.stanford.edu, E-mail: madejski@slac.stanford.edu, E-mail: knalew@Colorado.edu, E-mail: sikora@camk.edu.pl [NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States); and others

2012-08-01T23:59:59.000Z

343

Bayesian Segmentation of Protein Secondary Structure  

E-Print Network (OSTI)

We present a novel method for predicting the secondary structure of a protein from its amino acid sequence. Most existing methods predict each position in turn based on a local window of residues, sliding this window along the length of the sequence. In contrast, we develop a probabilistic model of protein sequence/structure relationships in terms of structural segments, and formulate secondary structure prediction as a general Bayesian inference problem. A distinctive feature of our approach is the ability to develop explicit probabilistic models for -helices, -strands, and other classes of secondary structure, incorporating experimentally and empirically observed aspects of protein structure such as helical capping signals, side chain correlations, and segment length distributions. Our model is Markovian in the segments, permitting ef# cient exact calculation of the posterior probability distribution over all possible segmentations of the sequence using dynamic programming. The optimal segmentation is computed and compared to a predictor based on marginal posterior modes, and the latter is shown to provide signi# cant improvement in predictive accuracy. The marginalization procedure provides exact secondary structure probabilities at each sequence position, which are shown to be reliable estimates of prediction uncertainty. We apply this model to a database of 452 nonhomologous structures, achieving accuracies as high as the best currently available methods. We conclude by discussing an extension of this framework to model nonlocal interactions in protein structures, providing a possible direction for future improvements in secondary structure prediction accuracy.

Scott C. Schmidler; Jun S. Liu; Douglas L. Brutlag

2000-01-01T23:59:59.000Z

344

Structural Characterization  

NLE Websites -- All DOE Office Websites (Extended Search)

Characterization Characterization and Comparison of Switchgrass Ball-milled Lignin Before and After Dilute Acid Pretreatment Reichel Samuel & Yunqiao Pu & Babu Raman & Arthur J. Ragauskas Received: 25 April 2009 / Accepted: 10 August 2009 # Humana Press 2009 Abstract To reduce the recalcitrance and enhance enzymatic activity, dilute H 2 SO 4 pretreatment was carried out on Alamo switchgrass (Panicum virgatum). Ball-milled lignin was isolated from switchgrass before and after pretreatment. Its structure was characterized by 13 C, HSQC, and 31 P NMR spectroscopy. It was confirmed that ball-milled switchgrass lignin is of HGS type with a considerable amount of p-coumarate and felurate esters of lignin. The major ball-milled lignin interunit was the β-O-4 linkage, and a minor amount of phenylcoumarin, resinol, and spirodienone units were also present. As a result of the acid pretreatment,

345

Argonne CNM News: Structural Consequences of Nanolithography  

NLE Websites -- All DOE Office Websites (Extended Search)

Structural Consequences of Nanolithography Structural Consequences of Nanolithography Ferroelectric domains written by PFM Ferroelectric domains written by PFM exhibit a subtle structural distortion that can be directly observed using hard X-ray nanodiffraction microscopy. Nanolithography effect on structure Modeling shows that the writing process induces a structural electromechanical response to unscreened charges at surfaces and interfaces, altering the local free energy of written ferroelectric domains. Users from the University of Wisconsin-Madison and the Center for Nanophase Materials Science, working with the X-Ray Microscopy Group, have discovered structural effects accompanying the nanoscale lithography of ferroelectric polarization domains. The results shed new light on the physics of

346

Content Modeling Using Latent Permutations  

E-Print Network (OSTI)

We present a novel Bayesian topic model for learning discourse-level document structure. Our model leverages insights from discourse theory to constrain latent topic assignments in a way that reflects the underlying ...

Chen, Harr

347

Conceptual Model | Open Energy Information  

Open Energy Info (EERE)

Conceptual Model Conceptual Model Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Conceptual Model Details Activities (17) Areas (4) Regions (0) NEPA(0) Exploration Technique Information Exploration Group: Data and Modeling Techniques Exploration Sub Group: Modeling Techniques Parent Exploration Technique: Modeling Techniques Information Provided by Technique Lithology: Rock types, rock chemistry, stratigraphic layer organization Stratigraphic/Structural: Location and shape of permeable and non-permeable structures, faults, fracture patterns Hydrological: Hydrothermal fluid flow characteristics, up-flow patterns Thermal: Temperature and pressure extrapolation throughout reservoir, heat source characteristics Dictionary.png Conceptual Model:

348

Analytical Modeling | Open Energy Information  

Open Energy Info (EERE)

Analytical Modeling Analytical Modeling Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Analytical Modeling Details Activities (1) Areas (1) Regions (0) NEPA(0) Exploration Technique Information Exploration Group: Data and Modeling Techniques Exploration Sub Group: Modeling Techniques Parent Exploration Technique: Modeling Techniques Information Provided by Technique Lithology: Stratigraphic/Structural: Hydrological: Thermal: Dictionary.png Analytical Modeling: A mathematical modeling technique used for simulating, explaining, and making predictions about the mechanisms involved in complex physical processes. Other definitions:Wikipedia Reegle Introduction Analytical models are mathematical models that have a closed form solution. Or in other words the solution to the equations used to describe changes in

349

Structural load combinations  

SciTech Connect

This paper presents the latest results of the program entitled, ''Probability Based Load Combinations For Design of Category I Structures''. In FY 85, a probability-based reliability analysis method has been developed to evaluate safety of shear wall structures. The shear walls are analyzed using stick models with beam elements and may be subjected to dead load, live load and in-plane eqrthquake. Both shear and flexure limit states are defined analytically. The limit state probabilities can be evaluated on the basis of these limit states. Utilizing the reliability analysis method mentioned above, load combinations for the design of shear wall structures have been established. The proposed design criteria are in the load and resistance factor design (LRFD) format. In this study, the resistance factors for shear and flexure and load factors for dead and live loads are preassigned, while the load factor for SSE is determined for a specified target limit state probability of 1.0 x 10/sup -6/ or 1.0 x 10/sup -5/ during a lifetime of 40 years. 23 refs., 9 tabs.

Hwang, H.; Reich, M.; Ellingwood, B.; Shinozuka, M.

1985-01-01T23:59:59.000Z

350

DRI Model of the U.S. Economy -- Model Documentation:  

Reports and Publications (EIA)

Provides documentation on Data Resources, Inc., DRI Model of the U.S. Economy and the DRI Personal Computer Input/Output Model. It also describes the theoretical basis, structure and functions of both DRI models; and contains brief descriptions of the models and their equations.

Information Center

1993-12-01T23:59:59.000Z

351

Repairing structurally complex data  

Science Conference Proceedings (OSTI)

We present a novel algorithm for repairing structurally complex data. Given an assertion that represents desired structural integrity constraints and a structure that violates them, the algorithm performs repair actions that mutate the given structure ...

Sarfraz Khurshid; Iván García; Yuk Lai Suen

2005-08-01T23:59:59.000Z

352

Painting and rendering textures on unparameterized models  

Science Conference Proceedings (OSTI)

This paper presents a solution for texture mapping unparameterized models. The quality of a texture on a model is often limited by the model's parameterization into a 2D texture space. For models with complex topologies or complex distributions of structural ... Keywords: level of detail algorithms, paint systems, rendering systems, spatial data structures, texture mapping

David (grue) DeBry; Jonathan Gibbs; Devorah DeLeon Petty; Nate Robins

2002-07-01T23:59:59.000Z

353

Electronic structure of superconductivity refined  

NLE Websites -- All DOE Office Websites (Extended Search)

Electronic structure of superconductivity refined Electronic structure of superconductivity refined Electronic structure of superconductivity refined A team of physicists propose a new model that expands on a little understood aspect of the electronic structure in high-temperature superconductors. July 10, 2008 Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials. Los Alamos National Laboratory sits on top of a once-remote mesa in northern New Mexico with the Jemez mountains as a backdrop to research and innovation covering multi-disciplines from bioscience, sustainable energy sources, to plasma physics and new materials.

354

Application of Cascade Correlation Networks for Structures toChemistry  

Science Conference Proceedings (OSTI)

We present the application of Cascade Correlation for structures to QSPR (quantitative structure-property relationships) and QSAR (quantitative structure-activity relationships) analysis. Cascade Correlation for structures is a neural network model ... Keywords: Cascade Correlation networks, QSAR, QSPR, constructive algorithms, gradient descent

Anna Maria Bianucci; Alessio Micheli; Alessandro Sperduti; Antonina Starita

2000-01-01T23:59:59.000Z

355

Nonparametric combinatorial sequence models  

Science Conference Proceedings (OSTI)

This work considers biological sequences that exhibit combinatorial structures in their composition: groups of positions of the aligned sequences are "linked" and covary as one unit across sequences. If multiple such groups exist, complex interactions ... Keywords: Chinese restaurant franchise, Chinese restaurant process, MHC binding, mixture models, sequence models

Fabian L. Wauthier; Michael I. Jordan; Nebojsa Jojic

2011-03-01T23:59:59.000Z

356

Articular human joint modelling  

Science Conference Proceedings (OSTI)

The work reported in this paper encapsulates the theories and algorithms developed to drive the core analysis modules of the software which has been developed to model a musculoskeletal structure of anatomic joints. Due to local bone surface and contact ... Keywords: 6DOF, Joint Modelling, Software, Tissue wrapping, bilateral, constraints, forced contact based articulation, unilateral

Ibrahim i. Esat; Neviman Ozada

2010-03-01T23:59:59.000Z

357

Partially autonomous conceptual development of multifunctional structures  

Science Conference Proceedings (OSTI)

Partially autonomous conceptual development of Multifunctional Structures (MFSs) is achieved using an analogy with two mechanisms found in embryo development in biology: induction and gene transcription. The induction model is achieved autonomously ...

Yuemin Hou; Linhong Ji

2011-02-01T23:59:59.000Z

358

On the Structure of the Southern Oscillation  

Science Conference Proceedings (OSTI)

A realistic oceanic general circulation model is forced with winds observed over the tropical Pacific between1967 and 1979. The structure of the simulated Southern Oscillation is strikingly different in the western andeastern sides of the basin, ...

Yi Chao; S. G. H. Philander

1993-03-01T23:59:59.000Z

359

Dipole rescattering and the nuclear structure function  

Science Conference Proceedings (OSTI)

In the framework of the dipole model, we study the effects of the dipole multiple scatterings in a nuclear target and compute the nuclear structure function. We compare different unitarization schemes and confront our results with the E665 data.

Carvalho, F. [Depto de Ciencias Exatas e da Terra, Universidade Federal de Sao Paulo, SP (Brazil); Goncalves, V. P. [Instituto de Fisica e Matematica, Universidade Federal de Pelotas, Caixa Postal 354, CEP 96010-900, Pelotas, RS (Brazil); Navarra, F. S.; Oliveira, E. G. [Instituto de Fisica, Universidade de Sao Paulo Rua do Matao, Travessa R, 187, 05508-090 Sao Paulo, SP (Brazil)

2013-03-25T23:59:59.000Z

360

Multiple model inference.  

SciTech Connect

This paper compares three approaches for model selection: classical least squares methods, information theoretic criteria, and Bayesian approaches. Least squares methods are not model selection methods although one can select the model that yields the smallest sum-of-squared error function. Information theoretic approaches balance overfitting with model accuracy by incorporating terms that penalize more parameters with a log-likelihood term to reflect goodness of fit. Bayesian model selection involves calculating the posterior probability that each model is correct, given experimental data and prior probabilities that each model is correct. As part of this calculation, one often calibrates the parameters of each model and this is included in the Bayesian calculations. Our approach is demonstrated on a structural dynamics example with models for energy dissipation and peak force across a bolted joint. The three approaches are compared and the influence of the log-likelihood term in all approaches is discussed.

Swiler, Laura Painton; Urbina, Angel

2010-07-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


361

Modeling Techniques | Open Energy Information  

Open Energy Info (EERE)

Modeling Techniques Modeling Techniques Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Modeling Techniques Details Activities (0) Areas (0) Regions (0) NEPA(0) Exploration Technique Information Exploration Group: Data and Modeling Techniques Exploration Sub Group: Modeling Techniques Parent Exploration Technique: Data and Modeling Techniques Information Provided by Technique Lithology: Rock types, rock chemistry, stratigraphic layer organization Stratigraphic/Structural: Stress fields and magnitudes, location and shape of permeable and non-permeable structures, faults, fracture patterns Hydrological: Visualization and prediction of the flow patterns and characteristics of geothermal fluids, hydrothermal fluid flow characteristics, up-flow patterns

362

Determination of Vertical Thermal Structure from Sea Surface Temperature  

Science Conference Proceedings (OSTI)

A recently developed parametric model by P. C. Chu et al. is used in this paper for determining subsurface thermal structure from satellite sea surface temperature observations. Based on a layered structure of temperature fields (mixed layer, ...

Peter C. Chu; Chenwu Fan; W. Timothy Liu

2000-07-01T23:59:59.000Z

363

Fractional models for modeling complex linear systems under poor frequency resolution measurements  

Science Conference Proceedings (OSTI)

When modeling a linear system in a parametric way, one needs to deal with (i) model structure selection, (ii) model order selection as well as (iii) an accurate fit of the model. The most popular model structure for linear systems has a rational form ... Keywords: Continuous-time modeling, Fractional order systems, Linear systems, Non-asymptotic, Nonlinear least squares, Parametric models, Poor frequency resolutions, Statistical signal processing, Transfer function

Kurt Barbé, Oscar J. Olarte Rodriguez, Wendy Van Moer, Lieve Lauwers

2013-07-01T23:59:59.000Z

364

Model documentation: household model of energy  

Science Conference Proceedings (OSTI)

The Household Model of Energy is an econometric model, meaning that energy use is determined quantitatively with the use of economic variables such as fuel prices and income. HOME is also primarily a structural model, meaning that energy use is determined as the result of interactions of intermediate components such as the number of households, the end use fuel shares and the energy use per household. HOME forecasts energy consumption in all occupied residential structures (households) in the United States on an annual basis through 1990. The forecasts are made based upon a number of initial conditions in 1980, various estimated elasticities, various parameters and assumptions, and a set of forecasted fuel prices and income. In addition to the structural detail, HOME operates on a more disaggregated level. This includes four end-use services (space heating, water heating, air conditioning, and others), up to seven fuel/technology types (dependent upon the end use service), two housing types, four structure vintages, and four Census regions. When the model is run as a module in IFFS, a sharing scheme further disaggregates the model to 10 Federal regions.

Holte, J.A.

1984-02-01T23:59:59.000Z

365

Building structures from classifiers for passage reranking  

Science Conference Proceedings (OSTI)

This paper shows that learning to rank models can be applied to automatically learn complex patterns, such as relational semantic structures occurring in questions and their answer passages. This is achieved by providing the learning algorithm with a ... Keywords: kernel methods, learning to rank, question answering, structural kernels

Aliaksei Severyn, Massimo Nicosia, Alessandro Moschitti

2013-10-01T23:59:59.000Z

366

Brief paper: Structural archetypes for coherency  

Science Conference Proceedings (OSTI)

The power system model is divided into a study system (SS) and an external group (EG). Three structural archetypes for coherency (SAC) are defined. Each SAC is a set of structural conditions on the power system which when satisfied cause the EG to remain ... Keywords: Power systems, dynamic equivalents, modal analysis, singular perturbation

John F. Dorsey; Robert A. Schlueter

1984-05-01T23:59:59.000Z

367

Configuration structures, event structures and Petri nets  

Science Conference Proceedings (OSTI)

In this paper the correspondence between safe Petri nets and event structures, due to Nielsen, Plotkin and Winskel, is extended to arbitrary nets without self-loops, under the collective token interpretation. To this end we propose a more general form ... Keywords: Concurrency, Configuration structures, Event structures, Petri nets, Propositional logic

R. J. van Glabbeek; G. D. Plotkin

2009-09-01T23:59:59.000Z

368

Short-term hydroelectric generation model. Model documentation report  

DOE Green Energy (OSTI)

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.

NONE

1996-12-01T23:59:59.000Z

369

Variably porous structures  

DOE Patents (OSTI)

A method of making a monolithic porous structure, comprises electrodepositing a material on a template; removing the template from the material to form a monolithic porous structure comprising the material; and electropolishing the monolithic porous structure.

Braun, Paul V. (Savoy, IL); Yu, Xindi (Urbana, IL)

2011-01-18T23:59:59.000Z

370

Fracture of welded aluminum thin-walled structures  

E-Print Network (OSTI)

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. ...

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

2006-01-01T23:59:59.000Z

371

Used Nuclear Fuel Loading and Structural Performance Under Normal...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

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

372

Numerical Modeling | Open Energy Information  

Open Energy Info (EERE)

Numerical Modeling Numerical Modeling Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Technique: Numerical Modeling Details Activities (8) Areas (2) Regions (0) NEPA(0) Exploration Technique Information Exploration Group: Data and Modeling Techniques Exploration Sub Group: Modeling Techniques Parent Exploration Technique: Modeling Techniques Information Provided by Technique Lithology: Stratigraphic/Structural: Stress fields and magnitudes Hydrological: Visualization and prediction of the flow patterns and characteristics of geothermal fluids Thermal: Thermal conduction and convection patterns in the subsurface Dictionary.png Numerical Modeling: A computer model that is designed to simulate and reproduce the mechanisms of a particular system. Other definitions:Wikipedia Reegle

373

Undergraduate Program Salary Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Salary Structure Undergraduate Program Salary Structure Point your career towards LANL: work with the best minds on the planet in an inclusive environment that is rich in...

374

Graduate Program Salary Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Salary Structure Graduate Program Salary Structure Point your career towards LANL: work with the best minds on the planet in an inclusive environment that is rich in intellectual...

375

Structural Biology | Biosciences Division  

NLE Websites -- All DOE Office Websites (Extended Search)

(NIAID) funded program that applies state-of-the-art high-throughput (HTP) structural biology technologies to experimentally characterize the three dimensional atomic structure of...

376

Bayesian Nonparametric Methods for Protein Structure Prediction  

E-Print Network (OSTI)

The protein structure prediction problem consists of determining a protein’s three-dimensional structure from the underlying sequence of amino acids. A standard approach for predicting such structures is to conduct a stochastic search of conformation space in an attempt to find a conformation that optimizes a scoring function. For one subclass of prediction protocols, called template-based modeling, a new protein is suspected to be structurally similar to other proteins with known structure. The solved related proteins may be used to guide the search of protein structure space. There are many potential applications for statistics in this area, ranging from the development of structure scores to improving search algorithms. This dissertation focuses on strategies for improving structure predictions by incorporating information about closely related “template” protein structures into searches of protein conformation space. This is accomplished by generating density estimates on conformation space via various simplifications of structure models. By concentrating a search for good structure conformations in areas that are inhabited by similar proteins, we improve the efficiency of our search and increase the chances of finding a low-energy structure. In the course of addressing this structural biology problem, we present a number of advances to the field of Bayesian nonparametric density estimation. We first develop a method for density estimation with bivariate angular data that has applications to characterizing protein backbone conformation space. We then extend this model to account for multiple angle pairs, thereby addressing the problem of modeling protein regions instead of single sequence positions. In the course of this analysis we incorporate an informative prior into our nonparametric density estimate and find that this significantly improves performance for protein loop prediction. The final piece of our structure prediction strategy is to connect side-chain locations to our torsion angle representation of the protein backbone. We accomplish this by using a Bayesian nonparametric model for dependence that can link together two or more multivariate marginals distributions. In addition to its application for our angular-linear data distribution, this dependence model can serve as an alternative to nonparametric copula methods.

Lennox, Kristin Patricia

2010-08-01T23:59:59.000Z

377

Structural Workshop Paper---Estimating Discrete Games  

Science Conference Proceedings (OSTI)

This paper provides a critical review of the methods for estimating static discrete games and their relevance for quantitative marketing. We discuss the various modeling approaches, alternative assumptions, and relevant trade-offs involved in taking ... Keywords: discrete choice, games estimation, structural models

Paul B. Ellickson; Sanjog Misra

2011-11-01T23:59:59.000Z

378

Equilibrium Structure and Dynamics of the California Current System  

Science Conference Proceedings (OSTI)

This paper addresses the structure and dynamical mechanisms of regional and mesoscale physical variability in the subtropical northeast Pacific Ocean using the Regional Oceanic Modeling System (ROMS). The model is configured with a U.S. West ...

Patrick Marchesiello; James C. McWilliams; Alexander Shchepetkin

2003-04-01T23:59:59.000Z

379

Singular Vector Structure and Evolution of a Recurving Tropical Cyclone  

Science Conference Proceedings (OSTI)

In this study, the structure and evolution of total energy singular vectors (SVs) of Typhoon Usagi (2007) are evaluated using the fifth-generation Pennsylvania State University–NCAR Mesoscale Model (MM5) and its tangent linear and adjoint models ...

Hyun Mee Kim; Byoung-Joo Jung

2009-02-01T23:59:59.000Z

380

The Structure and Dynamics of Tornado-Like Vortices  

Science Conference Proceedings (OSTI)

The structure and dynamics of axisymmetric tornado-like vortices are explored with a numerical model of axisymmetric incompressible flow based on recently developed numerical methods. The model is first shown to compare favorably with previous ...

David S. Nolan; Brian F. Farrell

1999-08-01T23:59:59.000Z

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

Decisionmetrices : dynamic structural estimation of shipping investment decisions  

E-Print Network (OSTI)

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, ...

Dikos, George

2004-01-01T23:59:59.000Z

382

Acquistion of the morphological structure of the lexicon based on lexical similarity and formal analogy  

Science Conference Proceedings (OSTI)

The paper presents a computational model aiming at making the morphological structure of the lexicon emerge from the formal and semantic regularities of the words it contains. The model is purely lexeme-based. The proposed morphological structure consists ...

Nabil Hathout

2008-08-01T23:59:59.000Z

383

Nuclear Models  

SciTech Connect

The atomic nucleus is a typical example of a many-body problem. On the one hand, the number of nucleons (protons and neutrons) that constitute the nucleus is too large to allow for exact calculations. On the other hand, the number of constituent particles is too small for the individual nuclear excitation states to be explained by statistical methods. Another problem, particular for the atomic nucleus, is that the nucleon-nucleon (n-n) interaction is not one of the fundamental forces of Nature, and is hard to put in a single closed equation. The nucleon-nucleon interaction also behaves differently between two free nucleons (bare interaction) and between two nucleons in the nuclear medium (dressed interaction).Because of the above reasons, specific nuclear many-body models have been devised of which each one sheds light on some selected aspects of nuclear structure. Only combining the viewpoints of different models, a global insight of the atomic nucleus can be gained. In this chapter, we revise the the Nuclear Shell Model as an example of the microscopic approach, and the Collective Model as an example of the geometric approach. Finally, we study the statistical properties of nuclear spectra, basing on symmetry principles, to find out whether there is quantum chaos in the atomic nucleus. All three major approaches have been rewarded with the Nobel Prize of Physics. In the text, we will stress how each approach introduces its own series of approximations to reduce the prohibitingly large number of degrees of freedom of the full many-body problem to a smaller manageable number of effective degrees of freedom.

Fossion, Ruben [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-543, Mexico D. F., C.P. 04510 (Mexico)

2010-09-10T23:59:59.000Z

384

Soil-Structure Interaction for Building Structures  

Science Conference Proceedings (OSTI)

... Explicit computational tools that can be used in engineering practice are provided ... For typical building structures on soil and weathered rock sites, h ...

2013-08-28T23:59:59.000Z

385

Protein Puzzles and Scientific Solutions | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Protein Puzzles and Scientific Solutions Protein Puzzles and Scientific Solutions Protein Puzzles and Scientific Solutions January 8, 2014 - 1:45pm Addthis This 3-D rendering of a lysozyme molecule shows two gadolinium atoms bound to it. Researchers soaked lysozyme crystals in a solution containing the metal gadolinium to help improve imaging quality in an experiment at SLAC's Linac Coherent Light Source (LCLS) X-ray laser. The experiment proved that LCLS can resolve the lysozyme structure without using data obtained earlier, and researchers hope to use similar techniques to reconstruct important unsolved proteins. | Photo credit: Max Planck Society. This 3-D rendering of a lysozyme molecule shows two gadolinium atoms bound to it. Researchers soaked lysozyme crystals in a solution containing the

386

Competency Governance Structure  

Energy.gov (U.S. Department of Energy (DOE))

Displays the Learning and Development competency governence structure along with the competency steward information.

387

Transportation Energy Model of the World Energy Projection System ...  

U.S. Energy Information Administration (EIA)

The WEPS Transportation Energy Model is a structural accounting model for road, rail, air, domestic shipping, international shipping, and pipeline energy use.

388

The crystal structures of two salivary cystatins from the tick Ixodes scapularis and the effect of these inhibitors on the establishment of Borrelia burgdorferi infection in a murine model  

SciTech Connect

We have previously demonstrated that two salivary cysteine protease inhibitors from the Borrelia burgdorferi (Lyme disease) vector Ixodes scapularis - namely sialostatins L and L2 - play an important role in tick biology, as demonstrated by the fact that silencing of both sialostatins in tandem results in severe feeding defects. Here we show that sialostatin L2 - but not sialostatin L - facilitates the growth of B. burgdorferi in murine skin. To examine the structural basis underlying these differential effects of the two sialostatins, we have determined the crystal structures of both sialostatin L and L2. This is the first structural analysis of cystatins from an invertebrate source. Sialostatin L2 crystallizes as a monomer with an 'unusual' conformation of the N-terminus, while sialostatin L crystallizes as a domain-swapped dimer with an N-terminal conformation similar to other cystatins. Deletion of the 'unusual' N-terminal five residues of sialostatin L2 results in marked changes in its selectivity, suggesting that this region is a particularly important determinant of the biochemical activity of sialostatin L2. Collectively, our results reveal the structure of two tick salivary components that facilitate vector blood feeding and that one of them also supports pathogen transmission to the vertebrate host.

Kotsyfakis, Michalis; Horka, Helena; Salat, Jiri; Andersen, John F. (South Bohemia); (ASCR-ICP); (NIAID)

2010-11-17T23:59:59.000Z

389

Computing and Informatics, Vol. 22, 2003, 10011024, V 2006-Nov-24 MODELLING WEB SERVICE COMPOSITION  

E-Print Network (OSTI)

, Kosek M, Verpoest I. Model of internal geometry of textile composite reinforcements: data structure

ten Teije, Annette

390

Microphysical Structure of the Marine Boundary Layer under Strong Wind and Spray Formation as Seen from Simulations Using a 2D Explicit Microphysical Model. Part I: The Impact of Large Eddies  

Science Conference Proceedings (OSTI)

The effects of large eddies (LE) on the marine boundary layer (MBL) microphysics and thermodynamics is investigated using a 2D Lagrangian model with spectral bin microphysics including effects of sea spray. The 600 m × 400 m MBL computational area ...

J. Shpund; M. Pinsky; A. Khain

2011-10-01T23:59:59.000Z

391

JGI - Structural Genomics Program  

NLE Websites -- All DOE Office Websites (Extended Search)

Structural Genomics Program Structural Genomics Program The structural characterization of proteins of unknown function can be described as structural genomics, an approach in which structure determination by X-ray crystallography supplies key functional information. This is exemplified by studies of the carboxysome. The structures of the first carboxysome shell proteins (Kerfeld et al., Science 2005) confirmed earlier hypotheses that they are indeed the basic building blocks of the carboxysome shell; the quaternary structure and the higher order assemblies of the proteins in the crystals provided insight into how they assemble into shell facets. Likewise, our structure of the carboxysome component CsoS3 revealed that it was a member of the beta-carbonic family, despite having no detectable sequence homology at the level of primary structure

392

Bayesian Structural Inference for Hidden Processes  

E-Print Network (OSTI)

We introduce a Bayesian approach to discovering patterns in structurally complex processes. The proposed method of Bayesian Structural Inference (BSI) relies on a set of candidate unifilar Hidden Markov Model (uHMM) topologies for inference of model structure from a data series. Here, we focus on a recently developed exact enumeration of topological epsilon-machines. (A sequel then removes the topological restriction.) This subset of the uHMM topologies has the added benefit that inferred models are guaranteed to be epsilon-machines, irrespective of the estimated transition probabilities. Epsilon-machines and uHMMs lead, in turn, to analytic expressions for estimating transition probabilities, inferring start states, and comparing the posterior probability of candidate topologies, despite process internal structure being only indirectly present in data. We demonstrate BSI's effectiveness in estimating a process's randomness, as reflected by the Shannon entropy rate, and its structure, as quantified by the statistical complexity. We also compare using (i) all candidate models and (ii) the single, maximum a posteriori model for point estimation and show that the former more accurately reflects uncertainty in estimated values. We apply BSI to in-class examples of finite- and infinite-order Markov processes, as well to an out-of-class, infinite-state hidden process.

Christopher C. Strelioff; James P. Crutchfield

2013-09-05T23:59:59.000Z

393

Structured CSP --A Process Algebra as an Institution #  

E-Print Network (OSTI)

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

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

394

Band structure of doubly-odd nuclei around mass 130  

Science Conference Proceedings (OSTI)

Nuclear structure of the doublet bands in the doubly-odd nuclei with mass A{approx}130 is studied in terms of a pair-truncated shell model. The model reproduces quite well the energy levels of the doublet bands and the electromagnetic transitions. The analysis of the electromagnetic transitions reveals new band structure of the doublet bands.

Higashiyama, Koji [Department of Physics, Chiba Institute of Technology, Narashino, Chiba 275-0023 (Japan); Yoshinaga, Naotaka [Department of Physics, Saitama University, Saitama City 338-8570 (Japan)

2011-05-06T23:59:59.000Z

395

Service Provider Competition: Delay Cost Structure, Segmentation, and Cost Advantage  

Science Conference Proceedings (OSTI)

We model competition between two providers who serve delay-sensitive customers. We compare a generalized delay cost structure, where a customer's delay cost depends on her service valuation, with the traditional additive delay cost structure, where the ... Keywords: delay cost structure, service competition, value-based market segmentation

Maxim Afanasyev; Haim Mendelson

2010-04-01T23:59:59.000Z

396

Using Write Protected Data Structures To Improve Software Fault Tolerance  

E-Print Network (OSTI)

Using Write Protected Data Structures To Improve Software Fault Tolerance in Highly Available critical DBMS data structures against software errors. Guarding (write-protecting) DBMS data improves protection to new data structures very easy. To implement the expose segment update model in Sprite, we

California at Irvine, University of

397

A Pure Geometric Approach to Stellar Structure  

E-Print Network (OSTI)

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.

M. I. Wanas; Samah A. Ammar

2009-06-25T23:59:59.000Z

398

Structural Control of Hydrology, Hydrogeology and Hydrochemistry along the Eastern Escarpment of the Jordan Rift Valley, JORDAN.  

E-Print Network (OSTI)

??The relationship of structural geology and hydrogeological characteristics NW Jordan. Superior 3 phase tectonic model was derived from re-evaluation of structural elements which are strongly… (more)

Sahawneh, Julia

2011-01-01T23:59:59.000Z

399

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

E-Print Network (OSTI)

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 ...

Kazimi, Mujid S.

400

Quantum Circuit Model Topological Model  

E-Print Network (OSTI)

Quantum Circuit Model Topological Model Comparison of Models Topological Quantum Computation Eric Rowell Texas A&M University October 2010 Eric Rowell Topological Quantum Computation #12;Quantum Circuit Model Topological Model Comparison of Models Outline 1 Quantum Circuit Model Gates, Circuits

Rowell, Eric C.

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

Structural Materials - Characterization  

Science Conference Proceedings (OSTI)

Mar 14, 2012 ... Cr, are important structural materials for use in advanced nuclear ... holds promise for grain boundary engineering of surface and near-surface ... nuclear structural material Alloy 690 to illustrate the effects of shield gas, travel ...

402

NUCLEAR STRUCTURE DATABASE  

E-Print Network (OSTI)

d UNIVERSITY OF CALIFORNIA NUCLEAR STRUCTURE DATABASE R. B.IS UNLfflfTEO LBL-11089 NUCLEAR STRUCTURE DATABASE by R.B.and E. Browne June 1980 Nuclear Science Division University

Firestone, R.B.

2010-01-01T23:59:59.000Z

403

Structuring beyond architecture  

E-Print Network (OSTI)

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 ...

Foxe, David M

2006-01-01T23:59:59.000Z

404

Structure of Offshore Flow  

Science Conference Proceedings (OSTI)

The horizontal and vertical structure of the mean flow and turbulent fluxes are examined using aircraft observations taken near a barrier island on the east coast of the United States during offshore flow periods. The spatial structure is ...

Dean Vickers; L. Mahrt; Jielun Sun; Tim Crawford

2001-05-01T23:59:59.000Z

405

Crystal Lattice Structures - TMS  

Science Conference Proceedings (OSTI)

Feb 7, 2007 ... This resource contains 273 common crystal lattice structures indexed by Strukturbericht designation, Pearson symbol, space group, prototype, ...

406

Neutron reflecting supermirror structure  

DOE Patents (OSTI)

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.

Wood, James L. (Drayton Plains, MI)

1992-01-01T23:59:59.000Z

407

Neutron reflecting supermirror structure  

DOE Patents (OSTI)

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.

Wood, J.L.

1992-12-01T23:59:59.000Z

408

Semantic Models for Distributed Object Reflection  

Science Conference Proceedings (OSTI)

A generic formal model of distributed object reflection is proposed, that combines logical reflection with a structuring of distributed objects as nested configurations of metaobject that can control subobjects under them. The model provides mathematical ...

José Meseguer; Carolyn L. Talcott

2002-06-01T23:59:59.000Z

409

A discrete model of thin shells  

Science Conference Proceedings (OSTI)

We present a discrete model for the behavior of thin flexible structures, such as hats, leaves, and aluminum cans, which are characterized by a curved undeformed configuration. Previously such models required complex continuum mechanics formulations ...

Eitan Grinspun

2005-07-01T23:59:59.000Z

410

Simulating the IHOP_2002 Fair-Weather CBL with the WRF-ARW–Noah Modeling System. Part I: Surface Fluxes and CBL Structure and Evolution along the Eastern Track  

Science Conference Proceedings (OSTI)

Fair-weather data from the May–June 2002 International H2O Project (IHOP_2002) 46-km eastern flight track in southeast Kansas are compared to simulations using the advanced research version of the Weather Research and Forecasting model coupled to ...

Margaret A. LeMone; Fei Chen; Mukul Tewari; Jimy Dudhia; Bart Geerts; Qun Miao; Richard L. Coulter; Robert L. Grossman

2010-03-01T23:59:59.000Z

411

Microphysical Structure of the Marine Atmospheric Mixed Layer under Strong Wind and Sea-Spray Formation as seen from a 2-D Explicit Microphysical Model. Part III: Parameterization of Height-Dependent Droplet Size Distribution  

Science Conference Proceedings (OSTI)

This paper completes a series of studies using a 2-D hybrid Lagrangian-Eulerian model to investigate the effect of sea spray on the thermodynamics and microphysics of the hurricane mixed layer. The evolution of the mixed layer was simulated by ...

J. Shpund; J. A. Zhang; M. Pinsky; A. Khain

412

Slow motion responses of compliant offshore structures  

E-Print Network (OSTI)

An efficient method is developed to predict slow motion responses of slender compliant offshore structures in the unidirectional irregular waves and currents. The environmental loads are computed using the modified Morison equation based on slender-body approximation. The Hybrid Wave Model, which considers the nonlinear wave-wave interactions, is used to predict wave kinematics accurately up to the second order of wave steepness. Other second-order forces due to convective acceleration, free-surface fluctuation, time-varying structural displacement and axial divergence effects are also included. An iterative-incremental Newmark-,3 scheme is employed to simulate the structural responses in the time domain. It is observed that the predicted slow-drift motions of a Joint, Industry Project Spar and a Floating Jacket Platform are in excellent agreement with the model test measurements. However, the predicted slow-drift motions using Wheeler Stretching and Linear Extrapolation wave kinematics models do not agree with the measurements well.

Cao, Peimin

1996-01-01T23:59:59.000Z

413

Vitrified underground structures  

DOE Patents (OSTI)

A method of making vitrified underground structures in which 1) the vitrification process is started underground, and 2) a thickness dimension is controlled to produce substantially planar vertical and horizontal vitrified underground structures. Structures may be placed around a contaminated waste site to isolate the site or may be used as aquifer dikes.

Murphy, Mark T. (Kennewick, WA); Buelt, James L. (Richland, WA); Stottlemyre, James A. (Richland, WA); Tixier, Jr., John S. (Richland, WA)

1992-01-01T23:59:59.000Z

414

Catalytic distillation structure  

DOE Patents (OSTI)

Catalytic distillation structure for use in reaction distillation columns, a providing reaction sites and distillation structure and consisting of a catalyst component and a resilient component intimately associated therewith. The resilient component has at least about 70 volume % open space and being present with the catalyst component in an amount such that the catalytic distillation structure consist of at least 10 volume % open space.

Smith, Jr., Lawrence A. (Bellaire, TX)

1984-01-01T23:59:59.000Z

415

Electromagnetotoroid Structures and their Hydrodynamic Analogs  

E-Print Network (OSTI)

We introduce the concept of an electromagnetotoroid in astrophysics, and explore its role in polar jets. This model represents the onset of Abraham's force driven by some external source, for example, the infall of gas towards a star. The Abraham's force term is analogous to the Magnus force, and thus represents the formation of electromagnetic vortex structures in the fabric of space-time. In principle, the proposed toroidal field structure can also provide force spaceship propulsion.

Mario J. Pinheiro

2012-03-08T23:59:59.000Z

416

Corpus based learning of stochastic, context-free grammars combined with Hidden Markov Models for tRNA modelling  

Science Conference Proceedings (OSTI)

In this paper, a new method for modelling tRNA secondary structures is presented. This method is based on the combination of stochastic context-free grammars (SCFG) and Hidden Markov Models (HMM). HMM are used to capture the local ... Keywords: HMM, Hidden Markov Models, RNA, SCFG, automatic inductive learning, bioinformatics, corpus based learning, grammatical inference, language modelling, secondary structure modelling, stochastic context-free grammars, syntactic pattern recognition, tRNA secondary structures, tRNA sequences

Juan Miguel Garcia-Gomez; Jose Miguel Benedi; Javier Vicente; Montserrat Robles

2005-09-01T23:59:59.000Z

417

Applying Object-Oriented Design to Structured Graphics  

E-Print Network (OSTI)

Structured graphics is useful for building applications that use a direct manipulation metaphor. Objectoriented languages offer inheritance, encapsulation, and runtime binding of operations to objects. Unfortunately, standard structured graphics packages do not use an object-oriented model, and object-oriented systems do not provide general-purpose structured graphics, relying instead on low-level graphics primitives. An object-oriented approach to structured graphics can give application programmers the benefits of both paradigms. We have

John M. Viissides; Mark A. Linton

1988-01-01T23:59:59.000Z

418

Seismic Behaviour of Vertical Mass Isolated Structures  

SciTech Connect

In this paper, the seismic behaviour of vertical mass isolated structures against the earthquake is studied. These structures are assumed to be consisted of two subsystems. Mass subsystem possesses low lateral stiffness but carries the major part of mass of the system. Stiffness subsystem, however, controls the deformation of the mass subsystem and attributes with much higher stiffness. The isolator layer is, therefore, located in between the mass and the stiffness subsystems and assumed to be a viscous damper layer. The analytical model used for this investigation is a dual mass-spring model which is an extended form of the three element Maxwell model. In this study, the ability of mass isolation techniques in reducing earthquake effects on buildings with two approaches, parametric and numerical approaches, is shown. In the parametric approach, by definition an isolation factor for structure and determination the dynamic characteristics of system, the relative optimum value of the isolator damping coefficient is obtained. The results provide an insight on role of relative stiffness and mass ratio of the two subsystems. Finally, in the numerical approach, the spectral responses of these structures due to the earthquake are investigated. The results show a noticeable decrease in earthquake input force to vertical mass isolated structures in comparison with non-isolated structures.

Nekooei, M.; Ziyaeifar, M. [Structural Engineering Research Centre, International Institute of Earthquake Engineering and Seismology (IIEES), P.O. Box 19395-3913, Tehran (Iran, Islamic Republic of)

2008-07-08T23:59:59.000Z

419

Damping dependence on bolt torque for a simple frame structure.  

Science Conference Proceedings (OSTI)

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.

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

2003-01-01T23:59:59.000Z

420

Chemical Structure and Dynamics  

NLE Websites -- All DOE Office Websites (Extended Search)

2154-3 2154-3 UC-400 Annual Report 2000 Chemical Structure and Dynamics Steven D. Colson, Associate Director Robin S. McDowell, Program Manager and the Staff of the Chemical Structure and Dynamics Program April 2001 Prepared for the U.S. Department of Energy under Contract DE-AC06-76RL01830 Chemical Structure and Dynamics 2000 Annual Report Contents Chemical Structure and Dynamics 2000 Annual Report Chemical Structure and Dynamics 2000 Annual Report 1. Introduction Chemical Structure and Dynamics Program......................................................... 1-3 2. Reaction Mechanisms at Liquid Interfaces Structure and Reactivity of Ice Surfaces and Interfaces G. A. Kimmel, Z. Dohnálek, K. P. Stevenson, R. S. Smith,

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


421

Nuclear Parton Densities and Structure Functions  

E-Print Network (OSTI)

We calculate nuclear parton distribution functions (PDFs), using the constituent quark model. We find the bounded valon distributions in a nuclear to be related to free valon distributions in a nucleon. By using improved bounded valon distributions for a nuclear with atomic number $A$ and the partonic structure functions inside the valon, we can calculate the nuclear structure function in $x$ space. The results for nuclear structure-function ratio $F_2^A/F_2^D$ at some values of $A$ are in good agreement with the experimental data.

S. Atashbar Tehrani; Ali N. Khorramian; A. Mirjalili

2004-10-27T23:59:59.000Z

422

XAFS Model Compound Library  

DOE Data Explorer (OSTI)

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/

Newville, Matthew

423

Proposals for Structural Biology Beamlines  

NLE Websites -- All DOE Office Websites (Extended Search)

Proposals for Structural Biology Beamlines Proposals for Structural Biology Beamlines Print Tuesday, 01 June 2010 09:52 Submit a New Proposal for Structural Biology Beamlines...

424

Structural Biology | Clean Energy | ORNL  

NLE Websites -- All DOE Office Websites (Extended Search)

Structural Biology SHARE Structural Biology ORNL researcher Flora Meilleur prepares protein solutions for structural investigation with neutrons. Source: ORNL Flickr site...

425

Proposals for Structural Biology Beamlines  

NLE Websites -- All DOE Office Websites (Extended Search)

Proposals for Structural Biology Beamlines Print Submit a New Proposal for Structural Biology Beamlines Available Beamlines The beamlines suitable for structural biology...

426

Handbook on dynamics of jointed structures.  

Science Conference Proceedings (OSTI)

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.

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

427

Baryonic Decays of Charmonium - a Window on Internal Baryon Structure  

E-Print Network (OSTI)

The baryonic decays of $J/ \\psi$ provide a new way to study the internal structure of baryons. A simple diquark model applied to the calculation of the $\\bar{B}B$ decay cross-sections is compared with the ordinary constituent quark model. Various models also give different predictions for the rates involving the $N^{\\ast}(1440)$ resonance in the final state.

A. Cieply

2004-12-03T23:59:59.000Z

428

BOMB STABILIZING STRUCTURE  

DOE Patents (OSTI)

A stabilizinig structure capable of minimizing deviations of a falling body such as a bomb from desired trajectory is described. The structure comprises a fin or shroud arrangement of double-wedge configuration, the feeding portion being of narrow wedge shape and the after portion being of a wider wedge shape. The structure provides a force component for keeping the body on essentially desired trajectory throughout its fall. (AEC)

Kelley, J.L.; Runyan, C.E.

1963-12-10T23:59:59.000Z

429

Eccentric rf deflecting structure  

SciTech Connect

For superconducting rf separators, assembled by electron beam welding techniques, two types of mode stabilizers are discussed: the elliptical structure, and a new design called the eccentric structure''. For an operating pi /2 or pi mode in the lower pass band, it is shown that the various parameters of the eccentric structure can be adjusted to provide the required frequency spacing between the operating mode and the upper dispersion curve. (auth)

Aggus, J.R.; Giordano, S.; Halama, H.J.

1973-12-13T23:59:59.000Z

430

Catalytic distillation structure  

DOE Patents (OSTI)

Catalytic distillation structure is described for use in reaction distillation columns, and provides reaction sites and distillation structure consisting of a catalyst component and a resilient component intimately associated therewith. The resilient component has at least about 70 volume % open space and is present with the catalyst component in an amount such that the catalytic distillation structure consists of at least 10 volume % open space. 10 figs.

Smith, L.A. Jr.

1984-04-17T23:59:59.000Z

431

Committee Structure Chart  

Science Conference Proceedings (OSTI)

Committee Structure as of May 2013. Board of. Directors. Executive. Committee. President. Vice-President. Financial Planning. Officer. Past President. Member &  ...

432

Structure and Kinetics  

Science Conference Proceedings (OSTI)

Mar 4, 2013 ... Materials Science in Reduced Gravity: Structure and Kinetics ... Bias fields comprise weak interface energy sources that result from the vector ...

433

Structural Materials: 95. Concrete  

SciTech Connect

Nuclear power plant concrete structures and their materials of construction are described, and their operating experience noted. Aging and environmental factors that can affect the durability of the concrete structures are identified. Basic components of a program to manage aging of these structures are identified and described. Application of structural reliability theory to devise uniform risk-based criteria by which existing facilities can be evaluated to achieve a desired performance level when subjected to uncertain demands and to quantify the effects of degradation is outlined. Finally, several areas are identified where additional research is desired.

Naus, Dan J [ORNL

2012-01-01T23:59:59.000Z

434

Structural Materials Division  

Science Conference Proceedings (OSTI)

Structural materials are everywhere ? from medical implants to skyscrapers ? and the SMD reflects that diversity in its thirteen technical committees. If you have ...

435

Structural Materials Division Council  

Science Conference Proceedings (OSTI)

Structural materials are everywhere – from medical implants to skyscrapers – and the SMD reflects that diversity in its thirteen technical committees. If you have ...

436

Nuclear Structure 2010: Main  

NLE Websites -- All DOE Office Websites (Extended Search)

Announcements International Advisory Committee Local Organizing Committee Contact Nuclear Structure 2010 Clark-Kerr Campus, U. C. Berkeley, CA August 8th - August 13th, 2010...

437

Neutron reflecting supermirror structure  

DOE Patents (OSTI)

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.

Wood, James L. (Drayton Plains, MI)

1992-01-01T23:59:59.000Z

438

Structural Biology | Biosciences Division  

NLE Websites -- All DOE Office Websites (Extended Search)

Biology BIO Home Page About BIO News Releases Research Publications People Contact Us Organization Chart Site Index Inside BIO BIO Safety About Argonne Structural Biology The...

439

Structural Biology | Biosciences Division  

NLE Websites -- All DOE Office Websites (Extended Search)

Biosciences Division Argonne National Laboratory Biosciences Division > Structural Biology DOE Logo Search BIO ... Search Argonne Home > BIO home > Membrane Protein Engineering >...

440

Quantum Confined Structures  

Science Conference Proceedings (OSTI)

Sep 14, 2009 ... Classification of Energy Levels in Quantum Dot Structures by Means of Depleted Layer Spectroscopy Methods: Maria Kaniewska1; Olof ...

Note: This page contains sample records for the topic "lysozyme structural model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


441

Controlling Graphene's Electronic Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Controlling Graphene's Electronic Structure Print Graphene, because of its unusual electron properties, reduced dimensionality, and scale, has enormous potential for use in...

442

Controlling Graphene's Electronic Structure  

NLE Websites -- All DOE Office Websites (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...

443

Model Validation  

Science Conference Proceedings (OSTI)

...thus establishing appropriate and important benchmarks. Benchmarking can go beyond validation and also measure relative computational speed, accuracy, and breadth for available modeling approaches and implementations, providing valuable information for users to discern the best models and for modelers...

444

ITER Central Solenoid support structure analysis  

Science Conference Proceedings (OSTI)

The ITER Central Solenoid (CS) is comprised of six independent coils held together by a pre-compression support structure. This structure must provide enough preload to maintain sufficient coil-to-coil contact and interface load throughout the current pulse. End of burn (EOB) represents one of the most extreme time-points doing the reference scenario when the currents in the CS3 coils oppose those of CS1 & CS2. The CS structure is performance limited by the room temperature static yield requirements needed to support the roughly 180 MN preload to resist coil separation during operation. This preload is applied by inner and external tie plates along the length of the coil stack by mechanical fastening methods utilizing Superbolt technology. The preloading structure satisfies the magnet structural design criteria of ITER and will be verified during mockup studies. The solenoid is supported from the bottom of the toroidal field (TF) coil casing in both the vertical radial directions. The upper support of the CS coil structure maintains radial registration with the TF coil in the event of vertical disruptions (VDE) loads and earthquakes. All of these structure systems are analyzed via a global finite element analysis (FEA). The model includes a complete sector of the TF coil and the CS coil/structure in one self-consistent analysis. The corresponding results and design descriptions are described in this report.

Freudenberg, Kevin D [ORNL; Myatt, R. [Myatt Consulting, Norfolk, MA

2011-01-01T23:59:59.000Z

445

Thermohaline Circulation Stability: A Box Model Study. Part II: Coupled Atmosphere–Ocean Model  

Science Conference Proceedings (OSTI)

A thorough analysis of the stability of a coupled version of an interhemispheric three-box model of thermohaline circulation (THC) is presented. This study follows a similarly structured analysis of an uncoupled version of the same model ...

Valerio Lucarini; Peter H. Stone

2005-02-01T23:59:59.000Z

446

Modeling & Simulation  

NLE Websites -- All DOE Office Websites (Extended Search)

Modeling & Simulation Modeling & Simulation Research into alternative forms of energy, especially energy security, is one of the major national security imperatives of this...

447

CE 336 Introduction to Structural Engineering (formerly Structural Mechanics I)  

E-Print Network (OSTI)

structures using classical and matrix methods; introduction to analysis software, structural design concepts Structures Structural Loads Natural Hazards Structural Performance---Sensors---IT Safety and Risk Analysis to Matrix Methods Displacement Methods Analysis Software Dec. 1 Dec. 6 Introduction to Structural Design

448

Structural basis for DNA bending  

Science Conference Proceedings (OSTI)

The authors report proton NMR studies on DNA oligonucleotides that contain A tracts of lengths known to produce various degrees of bending. Spectra of duplexes in the series 5{prime}-(GGCA{sub n}CGG){center dot}(CCGT{sub n}GCC) (n = 3,4,5,7,9) reveal substantial structural changes within the A{sub n}{center dot}T{sub n} tract as its length is increased. Chemical-shift comparisons show that A tracts with fewer than about seven members do not contain regions of uniform structure. Throughout the series, there is a striking monotonic relationship between the location of an A{center dot}T pair in the A tract and the relative position of its ThyH3 resonance. The direction of this chemical-shift dispersion is opposite to that expected from consideration of ring-current effects alone. This model features a substantial negative base-pair tilt, which has been suggested previously as the source of A-tract bending. In contrast, the nuclear Overhauser effect distances are inconsistent with at least one known crystallographic A-tract structure which lacks appreciable base-pair tilt.

Nadeau, J.G.; Crothers, D.M. (Yale Univ., New Haven, CT (USA))

1989-04-01T23:59:59.000Z

449

Structural studies of PNP from Toxoplasma gondii  

Science Conference Proceedings (OSTI)

Toxoplasmosis is a chronic infection that affects approximately 30% of the human population and is caused by Toxoplasma gondii. Determination of the three dimensional structure of PNP from T. gondii could provide new insights into the purine binding ... Keywords: PNP, Plasmodium falciparum, Toxoplasma gondii, bioinformatics, drug design, molecular dynamics, molecular modelling, purine binding sites, purine nucleoside phosphorylase, substrate binding, toxoplasmosis

Ana Luiza Vivan; Rafael A. Caceres; Luiz Augusto Basso; Diogenes Santiago Santos; Walter F. de Azevedo Jr.

2009-03-01T23:59:59.000Z

450

Structural Factorization of Plants to Compute Their Functional and Architectural Growth  

Science Conference Proceedings (OSTI)

Numerical simulation of plant growth has been facing a bottleneck due to the cumbersome computation implied by the complex plant topological structure. In this article, the authors present a new mathematical model for plant growth, GreenLab, overcoming ... Keywords: GreenLab, Plant growth simulation, functional structural plant models, growth operator, structural factorization

Paul-Henry Cournède; Meng-Zhen Kang; Amélie Mathieu; Jean-François Barczi; Hong-Pin Yan; Bao-Gang Hu; Philippe De Reffye

2006-07-01T23:59:59.000Z

451

Calcium silicate insulation structure  

DOE Patents (OSTI)

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.

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

1995-01-01T23:59:59.000Z

452

Best Data Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Best Data Structure Best Data Structure Name: Harold Status: student Grade: 12+ Country: USA Date: Fall 2011 Question: What is he "best" data-structure? Replies: There is no "best" data structure. First, you must define what is meant by "best" (smallest memory footprint, fastest, most scalable, etc.). Then you must take constraints into account (like cost, development time, etc.). Then you make an decision as to what is best (based on experience). People with different experiences often make different decisions as to what is "best". Also, what data structures is "best" depends on the problem being solved. Different problems often have different "best" solutions, everything else being equal. Scott P. Smith Hi Harold,

453

ISG8-Structures  

NLE Websites -- All DOE Office Websites (Extended Search)

Structures (WG4) Structures (WG4) Orange Rm H. Carter, T. Higo and J. Wang Parallel Sessions: Working Groups: WG1: Parameters, Design, Instrumentation and Tuning WG2: Damping Rings and ATF WG3: RF Sources WG4:Structures WG5: Ground Motion; Site Requirements and Investigations Goals Review of progress and experiences in design and fabrication. Review of high gradient tests. R&D plan and schedule through spring of 2003. Plan and schedule for production of 8-pack structures. Plan and schedule to document how to manufacture and process NLC/JLC accelerator structures. Preliminary Agenda Monday 9:00 Plenary 10:30 Coffee Break 11:00 – 12:00 Working Group Organization Opening Remarks - Dave Burke, Ron Ruth, Nobu Toge Discussion: Agenda and working group organization Lunch 13:30 – 15:30 High Gradient Test (Joint session with WG3)

454

Solar heated building structure  

Science Conference Proceedings (OSTI)

A solar heated building structure comprises an exterior shell including side walls and a roof section with the major portion of the roof section comprised of light transmitting panels or panes of material to permit passage of sunlight into the attic section of the building structure. The structure is provided with a central vertical hollow support column containing liquid storage tanks for the circulation and collection of heated water from a flexible conduit system located on the floor of the attic compartment. The central column serves as a heating core for the structure and communicates by way of air conduits or ducts with the living areas of the structure. Fan means are provided for continuously or intermittently circulating air over the hot water storage tanks in the core to transfer heat therefrom and distribute the heated air into the living areas.

Rugenstein, R.W.

1980-03-11T23:59:59.000Z

455

Optoelectronic Mounting Structure  

DOE Patents (OSTI)

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.

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

456

Software maintenance maturity model (smmm): the software maintenance process model  

E-Print Network (OSTI)

This paper summarizes the research work leading to a Phd thesis that addresses the assessment and improvement of the software maintenance function by proposing a maturity model for daily software maintenance activities: Software Maintenance Maturity Model (SM mm) as well as its supporting knowledge based system SM Xpert. The software maintenance function suffers from a scarcity of management models to facilitate its evaluation, management, and continuous improvement. The SM mm addresses the unique activities of software maintenance while preserving a structure similar to that of the CMMi ©1 maturity model. It is designed to be used as a complement to this model. The SM mm is based on practitioners ’ experience, international standards, and the seminal literature on software maintenance. This paper presents the model’s purpose, scope, foundation, and architecture, followed by a knowledgebased system to help software maintainers learn and use the maturity model. 1.

Alain April; Jean-marc Desharnais

2005-01-01T23:59:59.000Z

457

Highest-Resolution Ribosome Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Highest-Resolution Ribosome Structure Print Highest-Resolution Ribosome Structure Print The last step in converting the genetic information stored in DNA into the major functional parts of cells is protein biosynthesis. Protein synthesis occurs on the ribosome, a cellular factory found in all forms of life. In contrast to most cellular machines, the ribosome contains a functional core of RNA that is enhanced by ribosomal proteins and accessory factors. Two structures of the intact ribosome from the common bacterium Escherichia coli, determined by a Berkeley-Berlin collaboration to a resolution of 3.5 Ã…, the highest yet achieved, provide many new insights into how the ribosome factory works. Ribosomes Ready for Extreme Close-Up In 1999, the first structure of the intact ribosome-a very large, asymmetric protein that is difficult to crystallize-was solved by x-ray crystallography at the ALS (see "Solving the Ribosome Puzzle"). Since then, scientists have developed quite an extensive photo gallery of ribosomes from various organisms and in various configurations. More importantly, they have sharpened the focus significantly, going from a resolution of 7.8 Ã… in 1999, to 5.5 Ã… in 2001 (see "Zooming in on Ribosomes"), to an amazing 3.5 Ã… in this latest work. What was initially seen as fuzzy "fingers" of electron density can now be resolved into individual nucleotides in the RNA strands. Serendipitously, the crystals used in this particular study contained two versions of the ribosome, each one in a different "pose," allowing the researchers to compare the positions of the various parts and deduce how they work. With these sharper images, scientists are now better able to interpret previous data, test models, and develop new theories, both practical (how do antibiotics that target the ribosome work?) and theoretical (how much has the ribosome evolved from bacteria to human?). Stay tuned.

458

ITER CS Intermodule Support Structure  

Science Conference Proceedings (OSTI)

With five independently driven, bi-polarity power supplies, the modules of the ITER central solenoid (CS) can be energized in aligned or opposing field directions. This sets up the possibility for repelling modules, which indeed occurs, particularly between CS2L and CS3L around the End of Burn (EOB) time point. Light interface compression between these two modules at EOB and wide variations in these coil currents throughout the pulse produce a tendency for relative motion or slip. Ideally, the slip is purely radial as the modules breathe without any accumulative translational motion. In reality, however, asymmetries such as nonuniformity in intermodule friction, lateral loads from a plasma Vertical Disruption Event (VDE), magnetic forces from manufacturing and assembly tolerances, and earthquakes can all contribute to a combination of radial and lateral module motion. This paper presents 2D and 3D, nonlinear, ANSYS models which simulate these various asymmetries and determine the lateral forces which must be carried by the intermodule structure. Summing all of these asymmetric force contributions leads to a design-basis lateral load which is used in the design of various support concepts: the CS-CDR centering rings and a variation, the 2001 FDR baseline radial keys, and interlocking castles structures. Radial key-type intermodule structure interface slip and stresses are tracked through multiple 15 MA scenario current pulses to demonstrate stable motion following the first few cycles. Detractions and benefits of each candidate intermodule structure are discussed, leading to the simplest and most robust configuration which meets the design requirements: match-drilled radial holes and pin-shaped keys.

Myatt, R. [Myatt Consulting, Norfolk, MA; Freudenberg, Kevin D [ORNL

2011-01-01T23:59:59.000Z

459

Composite Load Model Evaluation  

Science Conference Proceedings (OSTI)

The WECC load modeling task force has dedicated its effort in the past few years to develop a composite load model that can represent behaviors of different end-user components. The modeling structure of the composite load model is recommended by the WECC load modeling task force. GE Energy has implemented this composite load model with a new function CMPLDW in its power system simulation software package, PSLF. For the last several years, Bonneville Power Administration (BPA) has taken the lead and collaborated with GE Energy to develop the new composite load model. Pacific Northwest National Laboratory (PNNL) and BPA joint force and conducted the evaluation of the CMPLDW and test its parameter settings to make sure that: • the model initializes properly, • all the parameter settings are functioning, and • the simulation results are as expected. The PNNL effort focused on testing the CMPLDW in a 4-bus system. An exhaustive testing on each parameter setting has been performed to guarantee each setting works. This report is a summary of the PNNL testing results and conclusions.

Lu, Ning; Qiao, Hong (Amy)

2007-09-30T23:59:59.000Z

460

Ductility of lightly reinforced concrete hydraulic structures  

E-Print Network (OSTI)

In the past, intake towers built by the Corp of Engineers were designed without consideration of seismic effects. This study investigates an economic approach to determining the ductility of an existing lightly reinforced concrete hydraulic structure. An intake tower, typical of older structure, with reinforcing steel ratios below code specified minimums was selected and modeled using DRAIN-2DX, a dynamic analysis program for personal computers which incorporates the effects of inelastic deformation. The analyses, performed with three separate earthquake acceleration time histories for various model conditions, produced a range of ductility values. The results indicate that ductility is facilitated by the presence of in-plane walls. However, the calculated ductility values may be exaggerated due to the elastic panel elements in the model which redistribute loads away from yielded sections. Also, larger ductility values were calculated for reservoirs with water than for empty reservoirs.

Raines, Amy Lynette

1994-01-01T23:59:59.000Z

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461

Mobile marine operations structure  

SciTech Connect

This patent describes the process of installing a marine operations structure in a pre-determined sea floor location. The structure has a central core and a support base having at least two differently sloped ice wall surfaces for achieving fracturing of ice features, and having at least two series of circumferentially arranged ballast tanks. It consists of positioning the structure over a selected sea floor location by the use of at least three tug boats connected to the structure by tension cables arranged radially with respect to the structure; flooding a first series of lower ballast tanks in a sequential ballasting operation; flooding a second series of ballast tanks located at a higher elevation within the structure than the first series of ballast tanks; maintaining radial forces along the tension cables during the flooding steps; and after the structure has become founded on the bottom of the sea, pumping sea waver into fluid tanks some of which are located at an elevation above the water level.

Bhalaik, A.; Braddick, P.W.; Brittin, D.S.; Johnson, G.L.

1987-09-22T23:59:59.000Z

462

Efficient buckling and free vibration analysis of cyclically repeated space truss structures  

Science Conference Proceedings (OSTI)

Eigenproblems play a key role in the stability and free vibration analysis of structures. In large structural models, the solutions of these problems need a considerable computational effort. There are special types of structures whose special properties ... Keywords: Buckling load, Cyclic symmetry, Decomposition, Eigenproblems, Free vibration, Space structures

K. Koohestani; A. Kaveh

2010-10-01T23:59:59.000Z

463

Fluctuating Environments and Phytoplankton Community Structure  

E-Print Network (OSTI)

Spatial heterogeneity in the distribution of organisms and their resources is likely to lead to temporal heterogeneity in access to resources for simple aquatic organisms like phytoplankton. The role of temporal heterogeneity as a possible structuring force for simple communities is investigated with a stochastic model of interacting populations. The ability of phytoplankton with contrasting life histories (gleaners vs. opportunists) to coexist is examined in fluctuating environments which are poor or rich in background nutrient supply levels. Rates of nutrient supply fluctuate with both deterministic and stochastic components. Demographic stochasticity is also incorporated into a modified chemostat model. When compared to the results of the deterministic model, the stochastic model allows for coexistence over a wider range of parameter values (or life history types). Both environmental and demographic stochasticity are important model components for this result. Stochasticity has a la...

John M. Anderies; Beatrix E. Beisner

1999-01-01T23:59:59.000Z

464

Trade Linkages and Output-Multiplier Effects: A Structural VAR  

E-Print Network (OSTI)

This paper develops a structural VAR model to measure how a shock to one country can affect the GDP of other countries. It uses trade linkages to estimate the multiplier ...

Forbes, Kristin J.

2002-06-05T23:59:59.000Z

465

Structural properties of lexical systems: monolingual and multilingual perspectives  

Science Conference Proceedings (OSTI)

We introduce a new type of lexical structure called lexical system, an interoperable model that can feed both monolingual and multilingual language resources. We begin with a formal characterization of lexical systems as "pure" directed graphs, ...

Alain Polguère

2006-07-01T23:59:59.000Z

466

9.14 Brain Structure and its Origins, Spring 2005  

E-Print Network (OSTI)

This course covers major CNS structures with emphasis on systems being used as models for experimental studies of development and plasticity. Topics include basic patterns of connections in CNS, embryogenesis, PNS anatomy ...

Schneider, Gerald

467

Maintenance-based design of concrete parking structures  

E-Print Network (OSTI)

The purpose of this study is to determine what type of preventative maintenance for a concrete parking structure will produce the maximum economic benefit. Existing models for concrete deterioration are analyzed for their ...

Stoakes, Christopher D. (Christopher David)

2007-01-01T23:59:59.000Z

468

The Formation of Concentric Vorticity Structures in Typhoons  

Science Conference Proceedings (OSTI)

An important issue in the formation of concentric eyewalls in a tropical cyclone is the development of a symmetric structure from asymmetric convection. It is proposed herein, with the aid of a nondivergent barotropic model, that concentric ...

H-C. Kuo; L-Y. Lin; C-P. Chang; R. T. Williams

2004-11-01T23:59:59.000Z

469

Some Aspects of Vortex Structure Related to Tropical Cyclone Motion  

Science Conference Proceedings (OSTI)

Some effect of tropical cyclone structure on the vortex motion are examined in a nondivergent, barotropic numerical model with no basic current. As suggested earlier by DeMaria, the initial maximum wind speed has little effect on the track. ...

Michael Fiorino; Russell L. Elsberry

1989-04-01T23:59:59.000Z

470

Discriminative structure and parameter learning for Markov logic networks  

Science Conference Proceedings (OSTI)

Markov logic networks (MLNs) are an expressive representation for statistical relational learning that generalizes both first-order logic and graphical models. Existing methods for learning the logical structure of an MLN are not discriminative; however, ...

Tuyen N. Huynh; Raymond J. Mooney

2008-07-01T23:59:59.000Z

471

Lagrangian Coherent Structures near a Subtropical Jet Stream  

Science Conference Proceedings (OSTI)

Direct Lyapunov exponents and stability results are used to extract and distinguish Lagrangian coherent structures (LCS) from a three-dimensional atmospheric dataset generated from the Weather Research and Forecasting (WRF) model. The numerical ...

Wenbo Tang; Manikandan Mathur; George Haller; Douglas C. Hahn; Frank H. Ruggiero

2010-07-01T23:59:59.000Z

472

Graduate Program Salary Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Salary Structure Salary Structure Graduate Program Salary Structure Point your career towards LANL: work with the best minds on the planet in an inclusive environment that is rich in intellectual vitality and opportunities for growth. Contact Student Programs (505) 665-8899 Email GRA salary determination process Salaries are determined by evaluating students' current transcripts using the following criteria: Salaries for graduate students are based on completion of 12 credit hours annually for the first two years of a Master's or PhD graduate program (BS+1, BS+2). Salaries are then based on satisfactory progress (minimum of one credit hour) towards degree after the second year of a Master's degree (MS+0 or degree awarded) or PhD program (BS+3, BS+4, BS+5). Professional salary structure

473

Undergraduate Program Salary Structure  

NLE Websites -- All DOE Office Websites (Extended Search)

Salary Structure Salary Structure Undergraduate Program Salary Structure Point your career towards LANL: work with the best minds on the planet in an inclusive environment that is rich in intellectual vitality and opportunities for growth. Contact Student Programs (505) 665-8899 Email Undergraduate salary determination process Salaries are evaluated from students' current transcripts based on college academic progression and hours completed in a degree program. Administrative/professional structure Years Description Yearly Hourly HS +0 HS grad & acceptance to college $20,900/yr $10.05/hr HS +1 Completion of first year and minimum of 24 semester hours $24,560/yr $11.81/hr HS +2 Completion of second year and minimum of 48 semester hours (salary cap for students pursuing an Associate's Degree) $27,540/yr $13.24/hr

474

Structure Breakdown Workshop Schedule  

NLE Websites -- All DOE Office Websites (Extended Search)

Breakdown Breakdown Workshop SLAC, Orange Room August 28 - 30 , 2000 Announcement Workshop Poster Workshop Goals: The Goal of the workshop is to review understanding of warm structure breakdown phenomena, to define common terms for comparing tests and to identify avenues for further study. For a partial bibliography, please view the following URL : http://www-project.slac.stanford.edu/lc/wkshp/RFBreakdwn/references/publist.htm Schedule and Presentations: Monday, August 28 8:30 - Operation Experience and Definition of Problem Moderator - G. Loew (initial questions) Opening remarks and introduction (C. Adolphsen) (15min) CERN Structure Operation Results (W. Wuensch) (30 min) NLCTA Structure Operation Results (C. Adolphsen) (30 min) ASTA Structure Operation Results (R. Loewen) (20 min)

475

Tseltal clause structure  

E-Print Network (OSTI)

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 ...

Shklovsky, Kirill

2012-01-01T23:59:59.000Z

476

Photovoltaic Cell Structures  

Energy.gov (U.S. Department of Energy (DOE))

The actual structural design of a photovoltaic (PV), or solar cell, depends on the lim