National Library of Energy BETA

Sample records for methodologies model structures

  1. METHODOLOGY ARTICLE Open Access Quality assessment of protein model-structures

    E-Print Network [OSTI]

    Nebel, Jean-Christophe

    METHODOLOGY ARTICLE Open Access Quality assessment of protein model-structures based on structural Background: Experimental determination of protein 3D structures is expensive, time consuming and sometimes impossible. A gap between number of protein structures deposited in the World Wide Protein Data Bank

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

    E-Print Network [OSTI]

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

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

  3. ARM PROCESSES AND MODELING METHODOLOGY

    E-Print Network [OSTI]

    ARM PROCESSES AND MODELING METHODOLOGY Benjamin Melamed Rutgers University Faculty of Management Department of MSIS 94 Rockafeller Rd. Piscataway, NJ 08854 melamed@rbs.rutgers.edu ABSTRACT ARM (Auto innovation sequences, ARM processes admit dependent innovation sequences as well, so long

  4. Methodology for characterizing modeling and discretization uncertainties in computational simulation

    SciTech Connect (OSTI)

    ALVIN,KENNETH F.; OBERKAMPF,WILLIAM L.; RUTHERFORD,BRIAN M.; DIEGERT,KATHLEEN V.

    2000-03-01

    This research effort focuses on methodology for quantifying the effects of model uncertainty and discretization error on computational modeling and simulation. The work is directed towards developing methodologies which treat model form assumptions within an overall framework for uncertainty quantification, for the purpose of developing estimates of total prediction uncertainty. The present effort consists of work in three areas: framework development for sources of uncertainty and error in the modeling and simulation process which impact model structure; model uncertainty assessment and propagation through Bayesian inference methods; and discretization error estimation within the context of non-deterministic analysis.

  5. Modeling of Diesel Exhaust Systems: A methodology to better simulate...

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

    of Diesel Exhaust Systems: A methodology to better simulate soot reactivity Modeling of Diesel Exhaust Systems: A methodology to better simulate soot reactivity Discussed...

  6. Protein MAS NMR methodology and structural analysis of protein assemblies

    E-Print Network [OSTI]

    Bayro, Marvin J

    2010-01-01

    Methodological developments and applications of solid-state magic-angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy, with particular emphasis on the analysis of protein structure, are described in this thesis. ...

  7. Structured Testing: A Testing Methodology Using the Cyclomatic Complexity Metric

    E-Print Network [OSTI]

    Riabov, Vladimir V.

    The purpose of this document is to describe the structured testing methodology for software testing, also uses the control flow structure of software to establish path cover- age criteria. The resultant testCabe, object oriented, software development, software diagnostic, software metrics, software testing

  8. Sensitivity Analysis Methodology for a Complex System Computational Model

    E-Print Network [OSTI]

    1 Sensitivity Analysis Methodology for a Complex System Computational Model James J. Filliben of computational models to serve as predictive surrogates for the system. The use of such models increasingly) of a computational model for a complex system is always an essential component in accepting/rejecting such a model

  9. Scheduling TV Commercials: Models and Solution Methodologies

    E-Print Network [OSTI]

    McCollum, Barry

    -based broadcasters (ADASSOC 2007). In order to maximize income, the broadcasters must ensure that they utilize published generally optimizing different models. For example, Hägele, Dúnlaing and Riis (2001) models complex. For example, in the UK, there is a network of channels collectively known as UKTV. These include

  10. Development of an engineering methodology for thermal analysis of protected structural members in fire 

    E-Print Network [OSTI]

    Liang, Hong; Welch, Stephen

    In order to overcome the limitations of existing methodologies for thermal analysis of protected structural members in fire, a novel CFD-based methodology has been developed. This is a generalised quasi- 3D approach with ...

  11. A METHODOLOGY FOR IDENTIFICATION OF NARMAX MODELS APPLIED TO DIESEL

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    A METHODOLOGY FOR IDENTIFICATION OF NARMAX MODELS APPLIED TO DIESEL ENGINES 1 Gianluca Zito ,2 Ioan is illustrated by means of an automotive case study, namely a variable geometry turbocharged diesel engine identification procedure is illustrated. In section 3 a diesel engine system, used to test the procedure

  12. Methodology Modelling: Combining Software Processes with Software Products \\Lambda

    E-Print Network [OSTI]

    Han, Jun

    of software processes in improving the quality of software products has been widely recognised for some time processes and software products is a major factor in improving soft­ ware quality. 2. Fine­grained, nonMethodology Modelling: Combining Software Processes with Software Products \\Lambda Jun Han and Jim

  13. ARM Processes and Their Modeling and Forecasting Methodology Benjamin Melamed

    E-Print Network [OSTI]

    Chapter 73 ARM Processes and Their Modeling and Forecasting Methodology Benjamin Melamed Abstract The class of ARM (Autoregressive Modular) processes is a class of stochastic processes, defined by a non- linear autoregressive scheme with modulo-1 reduction and additional transformations. ARM processes

  14. Using Tropos Methodology to Model an Integrated Health Assessment System

    E-Print Network [OSTI]

    health assessment of health and social care needs of older people is used as the case study throughoutUsing Tropos Methodology to Model an Integrated Health Assessment System Haralambos Mouratidis 1 of Trento, Italy pgiorgini@dit.unit.it Abstract. This paper presents a case study to illustrate the features

  15. Powerline Communications Channel Modelling Methodology Based on Statistical Features

    E-Print Network [OSTI]

    Tan, Bo

    2012-01-01

    This paper proposes a new channel modelling method for powerline communications networks based on the multipath profile in the time domain. The new channel model is developed to be applied in a range of Powerline Communications (PLC) research topics such as impulse noise modelling, deployment and coverage studies, and communications theory analysis. To develop the methodology, channels are categorised according to their propagation distance and power delay profile. The statistical multipath parameters such as path arrival time, magnitude and interval for each category are analyzed to build the model. Each generated channel based on the proposed statistical model represents a different realisation of a PLC network. Simulation results in similar the time and frequency domains show that the proposed statistical modelling method, which integrates the impact of network topology presents the PLC channel features as the underlying transmission line theory model. Furthermore, two potential application scenarios are d...

  16. System Modeling, Analysis, and Optimization Methodology for Diesel Exhaust After-treatment Technologies

    E-Print Network [OSTI]

    de Weck, Olivier L.

    System Modeling, Analysis, and Optimization Methodology for Diesel Exhaust After;System Modeling, Analysis, and Optimization Methodology for Diesel Exhaust After-treatment Technologies Developing new aftertreatment technologies to meet emission regulations for diesel engines is a growing

  17. Modeling of Diesel Exhaust Systems: A methodology to better simulate soot reactivity

    Broader source: Energy.gov [DOE]

    Discussed development of a methodology for creating accurate soot models for soot samples from various origins with minimal characterization

  18. Methodology Using MELCOR Code to Model Proposed Hazard Scenario

    SciTech Connect (OSTI)

    Gavin Hawkley

    2010-07-01

    This study demonstrates a methodology for using the MELCOR code to model a proposed hazard scenario within a building containing radioactive powder, and the subsequent evaluation of a leak path factor (LPF) (or the amount of respirable material which that escapes a facility into the outside environment), implicit in the scenario. This LPF evaluation will analyzes the basis and applicability of an assumed standard multiplication of 0.5 × 0.5 (in which 0.5 represents the amount of material assumed to leave one area and enter another), for calculating an LPF value. The outside release is dependsent upon the ventilation/filtration system, both filtered and un-filtered, and from other pathways from the building, such as doorways (, both open and closed). This study is presents ed to show how the multiple leak path factorsLPFs from the interior building can be evaluated in a combinatory process in which a total leak path factorLPF is calculated, thus addressing the assumed multiplication, and allowing for the designation and assessment of a respirable source term (ST) for later consequence analysis, in which: the propagation of material released into the environmental atmosphere can be modeled and the dose received by a receptor placed downwind can be estimated and the distance adjusted to maintains such exposures as low as reasonably achievableALARA.. Also, this study will briefly addresses particle characteristics thatwhich affect atmospheric particle dispersion, and compares this dispersion with leak path factorLPF methodology.

  19. Evaluation methodology for structures subjected to seismic loading 

    E-Print Network [OSTI]

    O'Boyle, Margaret

    1996-01-01

    A method to evaluate the performance of new and existing structures subjected to earthquakes is proposed. This method, derived from the Capacity Spectrum Method, can be used by practicing engineers in the design of new buildings...

  20. New methodologies for top-down statistical modeling and optimization of integrated circuits 

    E-Print Network [OSTI]

    Alexander, Daniel D.

    1996-01-01

    New methodologies intended to facilitate system level design and optimization are developed. Specifically, these methodologies allow: (1) development of system level models for the purpose of gathering statistical data on the performance of large...

  1. Qualitative knowledge construction for engineering systems : extending the design structure matrix methodology in scope and procedure

    E-Print Network [OSTI]

    Bartolomei, Jason E

    2007-01-01

    This thesis presents a new modeling framework and research methodology for the study of engineering systems. The thesis begins with a formal conceptualization of Engineering Systems based upon a synthesis of various ...

  2. Methodology for Constructing Reduced-Order Power Block Performance Models for CSP Applications: Preprint

    SciTech Connect (OSTI)

    Wagner, M.

    2010-10-01

    The inherent variability of the solar resource presents a unique challenge for CSP systems. Incident solar irradiation can fluctuate widely over a short time scale, but plant performance must be assessed for long time periods. As a result, annual simulations with hourly (or sub-hourly) timesteps are the norm in CSP analysis. A highly detailed power cycle model provides accuracy but tends to suffer from prohibitively long run-times; alternatively, simplified empirical models can run quickly but don?t always provide enough information, accuracy, or flexibility for the modeler. The ideal model for feasibility-level analysis incorporates both the detail and accuracy of a first-principle model with the low computational load of a regression model. The work presented in this paper proposes a methodology for organizing and extracting information from the performance output of a detailed model, then using it to develop a flexible reduced-order regression model in a systematic and structured way. A similar but less generalized approach for characterizing power cycle performance and a reduced-order modeling methodology for CFD analysis of heat transfer from electronic devices have been presented. This paper builds on these publications and the non-dimensional approach originally described.

  3. SPAR Model Structural Efficiencies

    SciTech Connect (OSTI)

    John Schroeder; Dan Henry

    2013-04-01

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

  4. A Methodology of Modelling Fish-like Swim Patterns for Robotic Fish

    E-Print Network [OSTI]

    Hu, Huosheng

    A Methodology of Modelling Fish-like Swim Patterns for Robotic Fish Jindong Liu and Huosheng Hu@essex.ac.uk Abstract-- This paper presents a novel modelling methodology for our robotic fish, which considers the relative movement of the tail to the head in order to model variable swimming patterns for robotic fish

  5. Receptor modeling assessment of particle total exposure assessment methodology data

    SciTech Connect (OSTI)

    Yakovleva, E.; Hopke, P.K.; Wallace, L.

    1999-10-15

    Data from the 1991 Particle Total Exposure Assessment Methodology (PTEAM) study in Riverside, CA, were analyzed using a new receptor modeling method. In this study, ambient (outdoor), indoor, and personal particulate matter (PM) concentrations and elemental concentrations of PM{sub 2.5} and PM{sub 10} were measured for a number of participants. These measurements made is possible to relate the pollution to which people were exposed throughout their daily activities with the outdoor air conditions. Personal daytime concentrations of the PM{sub 10} and majority of elements were significantly higher than outdoor or indoor concentrations, suggesting that a significant part of personal aerosol exposure is the result of personal daily activities. Possible sources of additional particulate mass include resuspension of particles that penetrate from the outdoors and formation of new particles during cooking, smoking, etc. Positive matrix factorization analysis was performed to describe the sources of personal exposure. To identify relative contribution of different sources, regression of the particulate matter mass against the factor contributions was performed. Major sources of PM{sub 2.5} were oil combustion, nonferrous metal operations, and motor vehicles. The mass contributions of particles from these sources were similar for outdoor air and personal exposure. Personal exposure to particles from these sources can be controlled by changing outdoor sources. The primary source of PM{sub 10} was soil.

  6. Multiple regression models: A methodology for evaluating trihalomethane concentrations in drinking water from

    E-Print Network [OSTI]

    Arhonditsis, George B.

    Multiple regression models: A methodology for evaluating trihalomethane concentrations in drinking of these substances on human health. A multiple regression model was developed to estimate THM concentrations Science Ltd. All rights reserved. Keywords: Multiple regression model; Trihalomethanes; Drinking water

  7. Mathematical Modeling of Microbial Community Dynamics: A Methodological Review

    SciTech Connect (OSTI)

    Song, Hyun-Seob; Cannon, William R.; Beliaev, Alex S.; Konopka, Allan

    2014-10-17

    Microorganisms in nature form diverse communities that dynamically change in structure and function in response to environmental variations. As a complex adaptive system, microbial communities show higher-order properties that are not present in individual microbes, but arise from their interactions. Predictive mathematical models not only help to understand the underlying principles of the dynamics and emergent properties of natural and synthetic microbial communities, but also provide key knowledge required for engineering them. In this article, we provide an overview of mathematical tools that include not only current mainstream approaches, but also less traditional approaches that, in our opinion, can be potentially useful. We discuss a broad range of methods ranging from low-resolution supra-organismal to high-resolution individual-based modeling. Particularly, we highlight the integrative approaches that synergistically combine disparate methods. In conclusion, we provide our outlook for the key aspects that should be further developed to move microbial community modeling towards greater predictive power.

  8. SASSI Methodology-Based Sensitivity Studies for Deeply Embedded Structures, Such As Small Modular Reactors (SMRs)

    Broader source: Energy.gov [DOE]

    SASSI Methodology-Based Sensitivity Studies for Deeply Embedded Structures, Such As Small Modular Reactors (SMRs) Dr. Dan M. Ghiocel Ghiocel Predictive Technologies Inc. http://www.ghiocel-tech.com 2014 DOE Natural Phenomena Hazards Meeting Germantown, MD, October 21-22, 2014

  9. Electronic Structure of Ligated CdSe Clusters: Dependence on DFT Methodology

    SciTech Connect (OSTI)

    Albert, VV; Ivanov, SA; Tretiak, S; Kilina, SV

    2011-07-07

    Simulations of ligated semiconductor quantum dots (QDs) and their physical properties, such as morphologies, QD-ligand interactions, electronic structures, and optical transitions, are expected to be very sensitive to computational methodology. We utilize Density Functional Theory (DFT) and systematically study how the choice of density functional, atom-localized basis set, and a solvent affects the physical properties of the Cd{sub 33}Se{sub 33} cluster ligated with a trimethyl phosphine oxide ligand. We have found that qualitative performance of all exchange-correlation (XC) functionals is relatively similar in predicting strong QD-ligand binding energy ({approx}1 eV). Additionally, all functionals predict shorter Cd-Se bond lengths on the QD surface than in its core, revealing the nature and degree of QD surface reconstruction. For proper modeling of geometries and QD-ligand interactions, however, augmentation of even a moderately sized basis set with polarization functions (e.g., LANL2DZ* and 6-31G*) is very important. A polar solvent has very significant implications for the ligand binding energy, decreasing it to 0.2-0.5 eV. However, the solvent model has a minor effect on the optoelectronic properties, resulting in persistent blue shifts up to {approx}0.3 eV of the low-energy optical transitions. For obtaining reasonable energy gaps and optical transition energies, hybrid XC functionals augmented by a long-range Hartree-Fock orbital exchange have to be applied.

  10. A Mean Field Based Methodology for Modeling Mobility in Ad Hoc Networks

    E-Print Network [OSTI]

    Horváth, András

    the behavior of the system. Index Terms--ad hoc networks, mean field analysis, Petri nets; I. INTRODUCTIONA Mean Field Based Methodology for Modeling Mobility in Ad Hoc Networks Marco Beccuti1--In this paper we propose a methodology for the modeling and analysis of ad hoc networks composed by a large

  11. A Methodology for Developing Simple and Robust Power Models Using Performance Monitoring Events

    E-Print Network [OSTI]

    Fedorova, Alexandra

    A Methodology for Developing Simple and Robust Power Models Using Performance Monitoring Events Kishore Kumar Pusukuri UC Riverside kishore@cs.ucr.edu David Vengerov Sun Microsystems Laboratories david.vengerov@sun a methodology for develop- ing simple and robust power models using performance monitoring events for AMD Quad

  12. HIERARCHICAL METHODOLOGY FOR MODELING HYDROGEN STORAGE SYSTEMS PART II: DETAILED MODELS

    SciTech Connect (OSTI)

    Hardy, B; Donald L. Anton, D

    2008-12-22

    There is significant interest in hydrogen storage systems that employ a media which either adsorbs, absorbs or reacts with hydrogen in a nearly reversible manner. In any media based storage system the rate of hydrogen uptake and the system capacity is governed by a number of complex, coupled physical processes. To design and evaluate such storage systems, a comprehensive methodology was developed, consisting of a hierarchical sequence of models that range from scoping calculations to numerical models that couple reaction kinetics with heat and mass transfer for both the hydrogen charging and discharging phases. The scoping models were presented in Part I [1] of this two part series of papers. This paper describes a detailed numerical model that integrates the phenomena occurring when hydrogen is charged and discharged. A specific application of the methodology is made to a system using NaAlH{sub 4} as the storage media.

  13. Methodologies for statistical behavioral modeling and simulation of complex analog integrated circuits 

    E-Print Network [OSTI]

    Swidzinski, Jan

    1997-01-01

    The objective of this thesis is to develop efficient methodologies for statistical behavioral modeling of analog integrated circuits and apply them to practical problems. Through appropriate statistical modeling, the Design for Quality (DFQ...

  14. A methodology for simultaneous modeling and control of chemical processes 

    E-Print Network [OSTI]

    Zeng, Tong

    1995-01-01

    controller has been developed. Relay mapping S has been applied for the first time in a feedback system. Simulations of this new methodology have been made in several cases, such as using different relay step sizes, and adding disturbance and parameter slow... drift. The simulation results show that the closed loop identification using relay mapping S represents process dynamics in an accurate way. Simulation results also show that the feedback system with relay mapping S has certain advantages over...

  15. Methodology for the Incorporation of Passive Component Aging Modeling into the RAVEN/ RELAP-7 Environment

    SciTech Connect (OSTI)

    Mandelli, Diego; Rabiti, Cristian; Cogliati, Joshua; Alfonsi, Andrea; Askin Guler; Tunc Aldemir

    2014-11-01

    Passive system, structure and components (SSCs) will degrade over their operation life and this degradation may cause to reduction in the safety margins of a nuclear power plant. In traditional probabilistic risk assessment (PRA) using the event-tree/fault-tree methodology, passive SSC failure rates are generally based on generic plant failure data and the true state of a specific plant is not reflected realistically. To address aging effects of passive SSCs in the traditional PRA methodology [1] does consider physics based models that account for the operating conditions in the plant, however, [1] does not include effects of surveillance/inspection. This paper represents an overall methodology for the incorporation of aging modeling of passive components into the RAVEN/RELAP-7 environment which provides a framework for performing dynamic PRA. Dynamic PRA allows consideration of both epistemic and aleatory uncertainties (including those associated with maintenance activities) in a consistent phenomenological and probabilistic framework and is often needed when there is complex process/hardware/software/firmware/ human interaction [2]. Dynamic PRA has gained attention recently due to difficulties in the traditional PRA modeling of aging effects of passive components using physics based models and also in the modeling of digital instrumentation and control systems. RAVEN (Reactor Analysis and Virtual control Environment) [3] is a software package under development at the Idaho National Laboratory (INL) as an online control logic driver and post-processing tool. It is coupled to the plant transient code RELAP-7 (Reactor Excursion and Leak Analysis Program) also currently under development at INL [3], as well as RELAP 5 [4]. The overall methodology aims to: • Address multiple aging mechanisms involving large number of components in a computational feasible manner where sequencing of events is conditioned on the physical conditions predicted in a simulation environment such as RELAP-7. • Identify the risk-significant passive components, their failure modes and anticipated rates of degradation • Incorporate surveillance and maintenance activities and their effects into the plant state and into component aging progress. • Asses aging affects in a dynamic simulation environment 1. C. L. SMITH, V. N. SHAH, T. KAO, G. APOSTOLAKIS, “Incorporating Ageing Effects into Probabilistic Risk Assessment –A Feasibility Study Utilizing Reliability Physics Models,” NUREG/CR-5632, USNRC, (2001). 2. T. ALDEMIR, “A Survey of Dynamic Methodologies for Probabilistic Safety Assessment of Nuclear Power Plants, Annals of Nuclear Energy, 52, 113-124, (2013). 3. C. RABITI, A. ALFONSI, J. COGLIATI, D. MANDELLI and R. KINOSHITA “Reactor Analysis and Virtual Control Environment (RAVEN) FY12 Report,” INL/EXT-12-27351, (2012). 4. D. ANDERS et.al, "RELAP-7 Level 2 Milestone Report: Demonstration of a Steady State Single Phase PWR Simulation with RELAP-7," INL/EXT-12-25924, (2012).

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

    E-Print Network [OSTI]

    Jaroniec, Christopher P

    2003-01-01

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

  17. Protein Structure Modeling With MODELLER Narayanan Eswar$

    E-Print Network [OSTI]

    Sali, Andrej

    of MODELLER to construct a comparative model for a protein with unknown structure. Automation of similar se- quence and the template(s); (iii) building a model based on the alignment with the cho- sen user intervention and within minutes on a desktop computer. Apart from model building, MODELLER can

  18. Methodology for Modeling Building Energy Performance across the Commercial Sector

    SciTech Connect (OSTI)

    Griffith, B.; Long, N.; Torcellini, P.; Judkoff, R.; Crawley, D.; Ryan, J.

    2008-03-01

    This report uses EnergyPlus simulations of each building in the 2003 Commercial Buildings Energy Consumption Survey (CBECS) to document and demonstrate bottom-up methods of modeling the entire U.S. commercial buildings sector (EIA 2006). The ability to use a whole-building simulation tool to model the entire sector is of interest because the energy models enable us to answer subsequent 'what-if' questions that involve technologies and practices related to energy. This report documents how the whole-building models were generated from the building characteristics in 2003 CBECS and compares the simulation results to the survey data for energy use.

  19. Innovative Methodology Efficient Estimation of Detailed Single-Neuron Models

    E-Print Network [OSTI]

    Columbia University

    ) and propose a simple statistical method for automatically building large, detailed compartmental models of single neurons, circumvent- ing some of the traditional complexities in building these models "by hand, the knowledge that passive properties of neurons are accurately described by the cable equation (Baldi et al

  20. A scalable methodology for modeling cities as systems of systems

    E-Print Network [OSTI]

    Wachtel, Amanda M. (Amanda Marie)

    2013-01-01

    As cities evolve in size and complexity, their component systems become more interconnected. Comprehensive modeling and simulation is needed to capture interactions and correctly assess the impact of changes. This thesis ...

  1. Modeling Techniques for a Risk Analysis Methodology for Software Systems

    E-Print Network [OSTI]

    instrumentation and control (I&C) systems for nuclear power plant system upgrades. (Arndt 2002) These approaches for nuclear power plant system upgrades. These approaches are directed towards analyzing the change in risk, System Modeling, UML, Z, EVES, Fault Trees #12;3 Abstract The U.S. Nuclear Regulatory Commission (NRC

  2. Amoeba: A Methodology for Modeling and Evolution of Cross-Organizational Business Processes

    E-Print Network [OSTI]

    Young, R. Michael

    Amoeba: A Methodology for Modeling and Evolution of Cross-Organizational Business Processes Nirmit business process modeling ap- proaches handle such changes in an ad hoc manner, and lack a principled means University Raleigh, NC 27695-8206 {nvdesai, akchopra, singh}@ncsu.edu May 13, 2008 Abstract Business service

  3. Towards a Cognitive Handoff for the Future Internet: Model-driven Methodology and Taxonomy of Scenarios

    E-Print Network [OSTI]

    Gonzalez-Horta, Francisco A; Ramirez-Cortes, Juan M; Martinez-Carballido, Jorge; Buenfil-Alpuche, Eldamira

    2011-01-01

    A cognitive handoff is a multipurpose handoff that achieves many desirable features simultaneously; e.g., seamlessness, autonomy, security, correctness, adaptability, etc. But, the development of cognitive handoffs is a challenging task that has not been properly addressed in the literature. In this paper, we discuss the difficulties of developing cognitive handoffs and propose a new model-driven methodology for their systematic development. The theoretical framework of this methodology is the holistic approach, the functional decomposition method, the model-based design paradigm, and the theory of design as scientific problem-solving. We applied the proposed methodology and obtained the following results: (i) a correspondence between handoff purposes and quantitative environment information, (ii) a novel taxonomy of handoff mobility scenarios, and (iii) an original state-based model representing the functional behavior of the handoff process.

  4. Fuel cycle assessment: A compendium of models, methodologies, and approaches

    SciTech Connect (OSTI)

    Not Available

    1994-07-01

    The purpose of this document is to profile analytical tools and methods which could be used in a total fuel cycle analysis. The information in this document provides a significant step towards: (1) Characterizing the stages of the fuel cycle. (2) Identifying relevant impacts which can feasibly be evaluated quantitatively or qualitatively. (3) Identifying and reviewing other activities that have been conducted to perform a fuel cycle assessment or some component thereof. (4) Reviewing the successes/deficiencies and opportunities/constraints of previous activities. (5) Identifying methods and modeling techniques/tools that are available, tested and could be used for a fuel cycle assessment.

  5. Structural Equation Modeling For Travel Behavior Research

    E-Print Network [OSTI]

    Golob, Thomas F.

    2011-01-01

    STREAMS (Structural Equation Modeling Made Simple) is aGerbing, 1988. Structural equation modeling in practice: aP.M. , 1989. EQS Structural Equations Program Manual. BMDP

  6. Agent-based models as scientific methodology: A case study analysing the DomWorld theory of

    E-Print Network [OSTI]

    Bryson, Joanna J.

    Agent-based models as scientific methodology: A case study analysing the DomWorld theory of primate earlier discussion of ABM as a scientific methodology in light of our analysis of Dom- World. We show Abstract A scientific methodology must provide two things: first a means of explanation, and second

  7. Modelling the Zn emissions from roofing materials at Crteil city scale -Defining a methodology

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Modelling the Zn emissions from roofing materials at Créteil city scale - Defining a methodology@cereve.enpc.fr) Abstract Today, urban runoff is considered as an important source of environment pollution. Roofing. An accurate evaluation of contaminant flows from roofs is thus required at the city scale. This paper aims

  8. Inverse modeling of surface emissions for local pollution: A new methodology applied to academic test cases

    E-Print Network [OSTI]

    Menut, Laurent

    Inverse modeling of surface emissions for local pollution: A new methodology applied to academic; (2) LISA Creteil France Needs: Optimize surface emissions using daily recorded ozone and NOX by PRIMEQUAL2, program of the french ministry of environment Firstguess emissions inventory for the Paris

  9. Model based methodology development for energy recovery in flash heat exchange systems

    E-Print Network [OSTI]

    McCarthy, John E.

    Model based methodology development for energy recovery in flash heat exchange systems Problem with a condensing heat exchanger can be used when heat exchange is required between two streams and where at leastH, consistency etc.). To increase the efficiency of heat exchange, a cascade of these units in series can be used

  10. Inverse modeling of emissions for local photo-oxidant pollution : Testing a new methodology with kriging constraints

    E-Print Network [OSTI]

    Menut, Laurent

    Inverse modeling of emissions for local photo-oxidant pollution : Testing a new methodology. Abstract For chemistry-transport models operating at regional scales, surface emissions are the input data a methodology to optimize surface emissions at local scale i.e. to compute correction factors for the available

  11. [18] improving structures using all-atom contacts 385 The methodology of macromolecular crystallography is mature, powerful,

    E-Print Network [OSTI]

    Richardson, David

    [18] improving structures using all-atom contacts 385 The methodology of macromolecular crystallography is mature, powerful, and effective, and it has transformed our understanding of biology at the mo.2 Much of the sensitivity and the power of those tools derives from their independence of the target

  12. Precarious Rock Methodology for Seismic Hazard: Physical Testing, Numerical Modeling and Coherence Studies

    SciTech Connect (OSTI)

    Anooshehpoor, Rasool; Purvance, Matthew D.; Brune, James N.; Preston, Leiph A.; Anderson, John G.; Smith, Kenneth D.

    2006-09-29

    This report covers the following projects: Shake table tests of precarious rock methodology, field tests of precarious rocks at Yucca Mountain and comparison of the results with PSHA predictions, study of the coherence of the wave field in the ESF, and a limited survey of precarious rocks south of the proposed repository footprint. A series of shake table experiments have been carried out at the University of Nevada, Reno Large Scale Structures Laboratory. The bulk of the experiments involved scaling acceleration time histories (uniaxial forcing) from 0.1g to the point where the objects on the shake table overturned a specified number of times. The results of these experiments have been compared with numerical overturning predictions. Numerical predictions for toppling of large objects with simple contact conditions (e.g., I-beams with sharp basal edges) agree well with shake-table results. The numerical model slightly underpredicts the overturning of small rectangular blocks. It overpredicts the overturning PGA for asymmetric granite boulders with complex basal contact conditions. In general the results confirm the approximate predictions of previous studies. Field testing of several rocks at Yucca Mountain has approximately confirmed the preliminary results from previous studies, suggesting that he PSHA predictions are too high, possibly because the uncertainty in the mean of the attenuation relations. Study of the coherence of wavefields in the ESF has provided results which will be very important in design of the canisters distribution, in particular a preliminary estimate of the wavelengths at which the wavefields become incoherent. No evidence was found for extreme focusing by lens-like inhomogeneities. A limited survey for precarious rocks confirmed that they extend south of the repository, and one of these has been field tested.

  13. Structural Analysis of Combustion Models

    E-Print Network [OSTI]

    Tóth, J; Zsély, I

    2013-01-01

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

  14. Development and validation of a generalised engineering methodology for thermal analysis of structural members in fire 

    E-Print Network [OSTI]

    Liang, Hong; Welch, Stephen; Stratford, Tim J; Kinsella, Emmett V

    A novel methodology for generalising CFD-based approaches for thermal analysis of protected steelwork in fire has been developed, known as GeniSTELA. This is a quasi-3D approach with computation of a "steel temperature ...

  15. Modeling the Capacity and Emissions Impacts of Reduced Electricity Demand. Part 1. Methodology and Preliminary Results.

    E-Print Network [OSTI]

    Coughlin, Katie

    2013-01-01

    Impacts of Reduced Electricity Demand. Part 1. MethodologyImpacts of Reduced Electricity Demand. Part 1. MethodologyFigure 3: Commercial electricity demand with and without the

  16. On the Inclusion of Energy-Shifting Demand Response in Production Cost Models: Methodology and a Case Study

    SciTech Connect (OSTI)

    O'Connell, Niamh; Hale, Elaine; Doebber, Ian; Jorgenson, Jennie

    2015-07-20

    In the context of future power system requirements for additional flexibility, demand response (DR) is an attractive potential resource. Its proponents widely laud its prospective benefits, which include enabling higher penetrations of variable renewable generation at lower cost than alternative storage technologies, and improving economic efficiency. In practice, DR from the commercial and residential sectors is largely an emerging, not a mature, resource, and its actual costs and benefits need to be studied to determine promising combinations of physical DR resource, enabling controls and communications, power system characteristics, regulatory environments, market structures, and business models. The work described in this report focuses on the enablement of such analysis from the production cost modeling perspective. In particular, we contribute a bottom-up methodology for modeling load-shifting DR in production cost models. The resulting model is sufficiently detailed to reflect the physical characteristics and constraints of the underlying flexible load, and includes the possibility of capturing diurnal and seasonal variations in the resource. Nonetheless, the model is of low complexity and thus suitable for inclusion in conventional unit commitment and market clearing algorithms. The ability to simulate DR as an operational resource on a power system over a year facilitates an assessment of its time-varying value to the power system.

  17. Dixie Valley Engineered Geothermal System Exploration Methodology Project, Baseline Conceptual Model Report

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

    Iovenitti, Joe

    FSR Part I presents (1) an assessment of the readily available public domain data and some proprietary data provided by Terra-Gen Power, LLC, (2) a re-interpretation of these data as required, (3) an exploratory geostatistical data analysis, (4) the baseline geothermal conceptual model, and (5) the EGS favorability/trust mapping. The conceptual model presented applies to both the hydrothermal system and EGS in the Dixie Valley region. FSR Part II presents (1) 278 new gravity stations; (2) enhanced gravity-magnetic modeling; (3) 42 new ambient seismic noise survey stations; (4) an integration of the new seismic noise data with a regional seismic network; (5) a new methodology and approach to interpret this data; (5) a novel method to predict rock type and temperature based on the newly interpreted data; (6) 70 new magnetotelluric (MT) stations; (7) an integrated interpretation of the enhanced MT data set; (8) the results of a 308 station soil CO2 gas survey; (9) new conductive thermal modeling in the project area; (10) new convective modeling in the Calibration Area; (11) pseudo-convective modeling in the Calibration Area; (12) enhanced data implications and qualitative geoscience correlations at three scales (a) Regional, (b) Project, and (c) Calibration Area; (13) quantitative geostatistical exploratory data analysis; and (14) responses to nine questions posed in the proposal for this investigation. Enhanced favorability/trust maps were not generated because there was not a sufficient amount of new, fully-vetted (see below) rock type, temperature, and stress data. The enhanced seismic data did generate a new method to infer rock type and temperature. However, in the opinion of the Principal Investigator for this project, this new methodology needs to be tested and evaluated at other sites in the Basin and Range before it is used to generate the referenced maps. As in the baseline conceptual model, the enhanced findings can be applied to both the hydrothermal system and EGS in the Dixie Valley region.

  18. Dixie Valley Engineered Geothermal System Exploration Methodology Project, Baseline Conceptual Model Report

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

    Iovenitti, Joe

    2014-01-02

    FSR Part I presents (1) an assessment of the readily available public domain data and some proprietary data provided by Terra-Gen Power, LLC, (2) a re-interpretation of these data as required, (3) an exploratory geostatistical data analysis, (4) the baseline geothermal conceptual model, and (5) the EGS favorability/trust mapping. The conceptual model presented applies to both the hydrothermal system and EGS in the Dixie Valley region. FSR Part II presents (1) 278 new gravity stations; (2) enhanced gravity-magnetic modeling; (3) 42 new ambient seismic noise survey stations; (4) an integration of the new seismic noise data with a regional seismic network; (5) a new methodology and approach to interpret this data; (5) a novel method to predict rock type and temperature based on the newly interpreted data; (6) 70 new magnetotelluric (MT) stations; (7) an integrated interpretation of the enhanced MT data set; (8) the results of a 308 station soil CO2 gas survey; (9) new conductive thermal modeling in the project area; (10) new convective modeling in the Calibration Area; (11) pseudo-convective modeling in the Calibration Area; (12) enhanced data implications and qualitative geoscience correlations at three scales (a) Regional, (b) Project, and (c) Calibration Area; (13) quantitative geostatistical exploratory data analysis; and (14) responses to nine questions posed in the proposal for this investigation. Enhanced favorability/trust maps were not generated because there was not a sufficient amount of new, fully-vetted (see below) rock type, temperature, and stress data. The enhanced seismic data did generate a new method to infer rock type and temperature. However, in the opinion of the Principal Investigator for this project, this new methodology needs to be tested and evaluated at other sites in the Basin and Range before it is used to generate the referenced maps. As in the baseline conceptual model, the enhanced findings can be applied to both the hydrothermal system and EGS in the Dixie Valley region.

  19. A methodology for assessing the market benefits of alternative motor fuels: The Alternative Fuels Trade Model

    SciTech Connect (OSTI)

    Leiby, P.N.

    1993-09-01

    This report describes a modeling methodology for examining the prospective economic benefits of displacing motor gasoline use by alternative fuels. The approach is based on the Alternative Fuels Trade Model (AFTM). AFTM development was undertaken by the US Department of Energy (DOE) as part of a longer term study of alternative fuels issues. The AFTM is intended to assist with evaluating how alternative fuels may be promoted effectively, and what the consequences of substantial alternative fuels use might be. Such an evaluation of policies and consequences of an alternative fuels program is being undertaken by DOE as required by Section 502(b) of the Energy Policy Act of 1992. Interest in alternative fuels is based on the prospective economic, environmental and energy security benefits from the substitution of these fuels for conventional transportation fuels. The transportation sector is heavily dependent on oil. Increased oil use implies increased petroleum imports, with much of the increase coming from OPEC countries. Conversely, displacement of gasoline has the potential to reduce US petroleum imports, thereby reducing reliance on OPEC oil and possibly weakening OPEC`s ability to extract monopoly profits. The magnitude of US petroleum import reduction, the attendant fuel price changes, and the resulting US benefits, depend upon the nature of oil-gas substitution and the supply and demand behavior of other world regions. The methodology applies an integrated model of fuel market interactions to characterize these effects.

  20. 2002 E.M. Aboulhamid 1 Methodology

    E-Print Network [OSTI]

    Aboulhamid, El Mostapha

    library and a methodology ­ create a cycle-accurate model of software algorithms ­ hardware architecture Types 4-valued logic Bits and Bit Vectors Arbitrary Precision Integers Fixed-point types Structural Libraries Verification library TLM library, etc Methodology-Specific Libraries Master/Slave library, etc

  1. Modeling and Analysis of The Pressure Die Casting Using Response Surface Methodology

    SciTech Connect (OSTI)

    Kittur, Jayant K.; Herwadkar, T. V. [KLS Gogte Institute of Technology, Belgaum -590 008, Karnataka (India); Parappagoudar, M. B. [Chhatrapati Shivaji Institute of Technology, Durg (C.G)-491001 (India)

    2010-10-26

    Pressure die casting is successfully used in the manufacture of Aluminum alloys components for automobile and many other industries. Die casting is a process involving many process parameters having complex relationship with the quality of the cast product. Though various process parameters have influence on the quality of die cast component, major influence is seen by the die casting machine parameters and their proper settings. In the present work, non-linear regression models have been developed for making predictions and analyzing the effect of die casting machine parameters on the performance characteristics of die casting process. Design of Experiments (DOE) with Response Surface Methodology (RSM) has been used to analyze the effect of effect of input parameters and their interaction on the response and further used to develop nonlinear input-output relationships. Die casting machine parameters, namely, fast shot velocity, slow shot to fast shot change over point, intensification pressure and holding time have been considered as the input variables. The quality characteristics of the cast product were determined by porosity, hardness and surface rough roughness (output/responses). Design of experiments has been used to plan the experiments and analyze the impact of variables on the quality of casting. On the other-hand Response Surface Methodology (Central Composite Design) is utilized to develop non-linear input-output relationships (regression models). The developed regression models have been tested for their statistical adequacy through ANOVA test. The practical usefulness of these models has been tested with some test cases. These models can be used to make the predictions about different quality characteristics, for the known set of die casting machine parameters, without conducting the experiments.

  2. -structures and s-structures: Translating the models Gunter Fuchs

    E-Print Network [OSTI]

    Fuchs, Gunter

    -structures and s-structures: Translating the models Gunter Fuchs Westf¨alische Wilhelms a translation procedure between -structures, which correspond to premice in the Friedman-Jensen indexing convention on the one hand and s-structures, which are essentially the same as premice in the Mitchell

  3. Structure formation: Models, Dynamics and Status

    E-Print Network [OSTI]

    T. Padmanabhan

    1995-08-25

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

  4. Dixie Valley Engineered Geothermal System Exploration Methodology Project, Baseline Conceptual Model Report

    SciTech Connect (OSTI)

    Iovenitti, Joe

    2014-01-02

    The Engineered Geothermal System (EGS) Exploration Methodology Project is developing an exploration approach for EGS through the integration of geoscientific data. The Project chose the Dixie Valley Geothermal System in Nevada as a field laboratory site for methodology calibration purposes because, in the public domain, it is a highly characterized geothermal system in the Basin and Range with a considerable amount of geoscience and most importantly, well data. The overall project area is 2500km2 with the Calibration Area (Dixie Valley Geothermal Wellfield) being about 170km2. The project was subdivided into five tasks (1) collect and assess the existing public domain geoscience data; (2) design and populate a GIS database; (3) develop a baseline (existing data) geothermal conceptual model, evaluate geostatistical relationships, and generate baseline, coupled EGS favorability/trust maps from +1km above sea level (asl) to -4km asl for the Calibration Area at 0.5km intervals to identify EGS drilling targets at a scale of 5km x 5km; (4) collect new geophysical and geochemical data, and (5) repeat Task 3 for the enhanced (baseline + new ) data. Favorability maps were based on the integrated assessment of the three critical EGS exploration parameters of interest: rock type, temperature and stress. A complimentary trust map was generated to compliment the favorability maps to graphically illustrate the cumulative confidence in the data used in the favorability mapping. The Final Scientific Report (FSR) is submitted in two parts with Part I describing the results of project Tasks 1 through 3 and Part II covering the results of project Tasks 4 through 5 plus answering nine questions posed in the proposal for the overall project. FSR Part I presents (1) an assessment of the readily available public domain data and some proprietary data provided by Terra-Gen Power, LLC, (2) a re-interpretation of these data as required, (3) an exploratory geostatistical data analysis, (4) the baseline geothermal conceptual model, and (5) the EGS favorability/trust mapping. The conceptual model presented applies to both the hydrothermal system and EGS in the Dixie Valley region. FSR Part II presents (1) 278 new gravity stations; (2) enhanced gravity-magnetic modeling; (3) 42 new ambient seismic noise survey stations; (4) an integration of the new seismic noise data with a regional seismic network; (5) a new methodology and approach to interpret this data; (5) a novel method to predict rock type and temperature based on the newly interpreted data; (6) 70 new magnetotelluric (MT) stations; (7) an integrated interpretation of the enhanced MT data set; (8) the results of a 308 station soil CO2 gas survey; (9) new conductive thermal modeling in the project area; (10) new convective modeling in the Calibration Area; (11) pseudo-convective modeling in the Calibration Area; (12) enhanced data implications and qualitative geoscience correlations at three scales (a) Regional, (b) Project, and (c) Calibration Area; (13) quantitative geostatistical exploratory data analysis; and (14) responses to nine questions posed in the proposal for this investigation. Enhanced favorability/trust maps were not generated because there was not a sufficient amount of new, fully-vetted (see below) rock type, temperature, and stress data. The enhanced seismic data did generate a new method to infer rock type and temperature. However, in the opinion of the Principal Investigator for this project, this new methodology needs to be tested and evaluated at other sites in the Basin and Range before it is used to generate the referenced maps. As in the baseline conceptual model, the enhanced findings can be applied to both the hydrothermal system and EGS in the Dixie Valley region.

  5. WaterSense Program: Methodology for National Water Savings Analysis Model Indoor Residential Water Use

    SciTech Connect (OSTI)

    Whitehead, Camilla Dunham; McNeil, Michael; Dunham_Whitehead, Camilla; Letschert, Virginie; della_Cava, Mirka

    2008-02-28

    The U.S. Environmental Protection Agency (EPA) influences the market for plumbing fixtures and fittings by encouraging consumers to purchase products that carry the WaterSense label, which certifies those products as performing at low flow rates compared to unlabeled fixtures and fittings. As consumers decide to purchase water-efficient products, water consumption will decline nationwide. Decreased water consumption should prolong the operating life of water and wastewater treatment facilities.This report describes the method used to calculate national water savings attributable to EPA?s WaterSense program. A Microsoft Excel spreadsheet model, the National Water Savings (NWS) analysis model, accompanies this methodology report. Version 1.0 of the NWS model evaluates indoor residential water consumption. Two additional documents, a Users? Guide to the spreadsheet model and an Impacts Report, accompany the NWS model and this methodology document. Altogether, these four documents represent Phase One of this project. The Users? Guide leads policy makers through the spreadsheet options available for projecting the water savings that result from various policy scenarios. The Impacts Report shows national water savings that will result from differing degrees of market saturation of high-efficiency water-using products.This detailed methodology report describes the NWS analysis model, which examines the effects of WaterSense by tracking the shipments of products that WaterSense has designated as water-efficient. The model estimates market penetration of products that carry the WaterSense label. Market penetration is calculated for both existing and new construction. The NWS model estimates savings based on an accounting analysis of water-using products and of building stock. Estimates of future national water savings will help policy makers further direct the focus of WaterSense and calculate stakeholder impacts from the program.Calculating the total gallons of water the WaterSense program saves nationwide involves integrating two components, or modules, of the NWS model. Module 1 calculates the baseline national water consumption of typical fixtures, fittings, and appliances prior to the program (as described in Section 2.0 of this report). Module 2 develops trends in efficiency for water-using products both in the business-as-usual case and as a result of the program (Section 3.0). The NWS model combines the two modules to calculate total gallons saved by the WaterSense program (Section 4.0). Figure 1 illustrates the modules and the process involved in modeling for the NWS model analysis.The output of the NWS model provides the base case for each end use, as well as a prediction of total residential indoor water consumption during the next two decades. Based on the calculations described in Section 4.0, we can project a timeline of water savings attributable to the WaterSense program. The savings increase each year as the program results in the installation of greater numbers of efficient products, which come to compose more and more of the product stock in households throughout the United States.

  6. Hybrid Model Structures Aaron David Ames

    E-Print Network [OSTI]

    Ames, Aaron

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

  7. Self-consistent QM/MM methodologies for structural refinement of photosystem II and other macromolecules of biological interest

    SciTech Connect (OSTI)

    Batista, Enrique R [Los Alamos National Laboratory; Sproviero, Eduardo M [YALE UNIV; Newcomer, Michael [YALE UNIV; Gascon, Jose A [YALE UNIV; Batista, Victor S [YALE UNIV

    2008-01-01

    The combination of quantum mechanics and molecular mechanics (QM/MM) is one of the most promising approaches to study the structure, function, and properties of proteins and nucleic acids. However, there some instances in which the limitations of either the MM (lack of a proper electronic description) or QM (limited to a few number of atoms) methods prevent a proper description of the system. To address this issue, we review here our approach to fine-tune the structure of biological systems using post-QM/MM refinements. These protocols are based on spectroscopy data, and/or partitioning of the system to extend the QM description to a larger region of a protein. We illustrate these methodologies through applications to several biomolecules, which were pre-optimized at the QM/MM level and then further refined using postQM/MM refinement methodologies: mod(QM/MM), which refines the atomic charges of the residues included in the MM region accounting for polarization effects; mod(QM/MM)-opt that partition the MM region in smaller parts and optimizes each part in an iterative. self-consistent way, and the Polarized-Extended X-Ray Absorption Fine Structure (P-EXAFS) fitting procedure, which fine-tune the atomic coordinates to reproduce experimental polarized EXAFS spectra. The first two techniques were applied to the guanine quadruplex. while the P-EXAFS refinement was applied to the oxygen evolving complex of photosystem II.

  8. Methodology for modeling the devolatilization of refuse-derived fuel from thermogravimetric analysis of municipal solid waste components

    SciTech Connect (OSTI)

    Fritsky, K.J.; Miller, D.L.; Cernansky, N.P.

    1994-09-01

    A methodology was introduced for modeling the devolatilization characteristics of refuse-derived fuel (RFD) in terms of temperature-dependent weight loss. The basic premise of the methodology is that RDF is modeled as a combination of select municipal solid waste (MSW) components. Kinetic parameters are derived for each component from thermogravimetric analyzer (TGA) data measured at a specific set of conditions. These experimentally derived parameters, along with user-derived parameters, are inputted to model equations for the purpose of calculating thermograms for the components. The component thermograms are summed to create a composite thermogram that is an estimate of the devolatilization for the as-modeled RFD. The methodology has several attractive features as a thermal analysis tool for waste fuels. 7 refs., 10 figs., 3 tabs.

  9. Dixie Valley Engineered Geothermal System Exploration Methodology Project, Baseline Conceptual Model Report

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

    Iovenitti, Joe

    The Engineered Geothermal System (EGS) Exploration Methodology Project is developing an exploration approach for EGS through the integration of geoscientific data. The Project chose the Dixie Valley Geothermal System in Nevada as a field laboratory site for methodlogy calibration purposes because, in the public domain, it is a highly characterized geothermal systems in the Basin and Range with a considerable amount of geoscience and most importantly, well data. This Baseline Conceptual Model report summarizes the results of the first three project tasks (1) collect and assess the existing public domain geoscience data, (2) design and populate a GIS database, and (3) develop a baseline (existing data) geothermal conceptual model, evaluate geostatistical relationships, and generate baseline, coupled EGS favorability/trust maps from +1km above sea level (asl) to -4km asl for the Calibration Area (Dixie Valley Geothermal Wellfield) to identify EGS drilling targets at a scale of 5km x 5km. It presents (1) an assessment of the readily available public domain data and some proprietary data provided by Terra-Gen Power, LLC, (2) a re-interpretation of these data as required, (3) an exploratory geostatistical data analysis, (4) the baseline geothermal conceptual model, and (5) the EGS favorability/trust mapping. The conceptual model presented applies to both the hydrothermal system and EGS in the Dixie Valley region.

  10. Dixie Valley Engineered Geothermal System Exploration Methodology Project, Baseline Conceptual Model Report

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

    Iovenitti, Joe

    2013-05-15

    The Engineered Geothermal System (EGS) Exploration Methodology Project is developing an exploration approach for EGS through the integration of geoscientific data. The Project chose the Dixie Valley Geothermal System in Nevada as a field laboratory site for methodlogy calibration purposes because, in the public domain, it is a highly characterized geothermal systems in the Basin and Range with a considerable amount of geoscience and most importantly, well data. This Baseline Conceptual Model report summarizes the results of the first three project tasks (1) collect and assess the existing public domain geoscience data, (2) design and populate a GIS database, and (3) develop a baseline (existing data) geothermal conceptual model, evaluate geostatistical relationships, and generate baseline, coupled EGS favorability/trust maps from +1km above sea level (asl) to -4km asl for the Calibration Area (Dixie Valley Geothermal Wellfield) to identify EGS drilling targets at a scale of 5km x 5km. It presents (1) an assessment of the readily available public domain data and some proprietary data provided by Terra-Gen Power, LLC, (2) a re-interpretation of these data as required, (3) an exploratory geostatistical data analysis, (4) the baseline geothermal conceptual model, and (5) the EGS favorability/trust mapping. The conceptual model presented applies to both the hydrothermal system and EGS in the Dixie Valley region.

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

    E-Print Network [OSTI]

    Hohmann, Brian P. (Brian Patrick)

    2010-01-01

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

  12. A non-linear dimension reduction methodology for generating data-driven stochastic input models

    SciTech Connect (OSTI)

    Ganapathysubramanian, Baskar; Zabaras, Nicholas

    2008-06-20

    Stochastic analysis of random heterogeneous media (polycrystalline materials, porous media, functionally graded materials) provides information of significance only if realistic input models of the topology and property variations are used. This paper proposes a framework to construct such input stochastic models for the topology and thermal diffusivity variations in heterogeneous media using a data-driven strategy. Given a set of microstructure realizations (input samples) generated from given statistical information about the medium topology, the framework constructs a reduced-order stochastic representation of the thermal diffusivity. This problem of constructing a low-dimensional stochastic representation of property variations is analogous to the problem of manifold learning and parametric fitting of hyper-surfaces encountered in image processing and psychology. Denote by M the set of microstructures that satisfy the given experimental statistics. A non-linear dimension reduction strategy is utilized to map M to a low-dimensional region, A. We first show that M is a compact manifold embedded in a high-dimensional input space R{sup n}. An isometric mapping F from M to a low-dimensional, compact, connected set A is contained in R{sup d}(d<methodology uses arguments from graph theory and differential geometry to construct the isometric transformation F:M{yields}A. Asymptotic convergence of the representation of M by A is shown. This mapping F serves as an accurate, low-dimensional, data-driven representation of the property variations. The reduced-order model of the material topology and thermal diffusivity variations is subsequently used as an input in the solution of stochastic partial differential equations that describe the evolution of dependant variables. A sparse grid collocation strategy (Smolyak algorithm) is utilized to solve these stochastic equations efficiently. We showcase the methodology by constructing low-dimensional input stochastic models to represent thermal diffusivity in two-phase microstructures. This model is used in analyzing the effect of topological variations of two-phase microstructures on the evolution of temperature in heat conduction processes.

  13. GeniSTELA - A Generalised Engineering Methodology for Thermal Analysis of Structural Members in Natural Fires 

    E-Print Network [OSTI]

    Liang, Hong

    The ability to predict the temperatures in protected steel structures is of vital importance for the progress of fire safety engineering. Existing methods are limited in several respects, typically being computationall ...

  14. Comparison of Order Reduction Methodologies and Identification of NNMs in Structural Dynamic Systems with Isolated Nonlinearities

    E-Print Network [OSTI]

    Butcher, Eric A.

    ) of structural dynamic systems with isolated nonlinearities. The POD method requires that the solution response Systems with Isolated Nonlinearities Mohammad A. AL-Shudeifat Eric A. Butcher Thomas D. Burton Department NNMs of large-order systems with isolated nonlinearities. In addition, LELSM and POD are compared

  15. Human Factors Engineering Program Review Model (NUREG-0711)Revision 3: Update Methodology and Key Revisions

    SciTech Connect (OSTI)

    OHara J. M.; Higgins, J.; Fleger, S.

    2012-07-22

    The U.S. Nuclear Regulatory Commission (NRC) reviews the human factors engineering (HFE) programs of applicants for nuclear power plant construction permits, operating licenses, standard design certifications, and combined operating licenses. The purpose of these safety reviews is to help ensure that personnel performance and reliability are appropriately supported. Detailed design review procedures and guidance for the evaluations is provided in three key documents: the Standard Review Plan (NUREG-0800), the HFE Program Review Model (NUREG-0711), and the Human-System Interface Design Review Guidelines (NUREG-0700). These documents were last revised in 2007, 2004 and 2002, respectively. The NRC is committed to the periodic update and improvement of the guidance to ensure that it remains a state-of-the-art design evaluation tool. To this end, the NRC is updating its guidance to stay current with recent research on human performance, advances in HFE methods and tools, and new technology being employed in plant and control room design. NUREG-0711 is the first document to be addressed. We present the methodology used to update NUREG-0711 and summarize the main changes made. Finally, we discuss the current status of the update program and the future plans.

  16. Smart Structures: Model Development and Control Applications

    E-Print Network [OSTI]

    Smart Structures: Model Development and Control Applications Ralph C. Smith Center for Research for smart structure which utilize piezoelectric, electrostrictive, magnetostrictive or shape memory alloys of the structure. The limitations on the mass and size of transducers are often relaxed in industrial applications

  17. A Methodology to Develop Monthly Energy Use Models From Utility Billing Data For Seasonally Scheduled Buildings: Application to Schools 

    E-Print Network [OSTI]

    Wang, W.

    1998-01-01

    TO DEVELOP MONTHLY ENERGY USE MODELS FROM UTILITY BILLING DATA FOR SEASONALLY SCHEDULED BUILDINGS: APPLICATION TO SCHOOLS A Thesis by WENYAN WANG Submitted to the Office of Graduate Studies of Texas A&M University in partial fulfillment of the requirements... for the degree of MASTER OF SCIENCE December 1998 Major Subject: Mechanical Engineering A METHODOLOGY TO DEVELOP MONTHLY ENERGY USE MODELS FROM UTILITY BILLING DATA FOR SEASONALLY SCHEDULED BUILDINGS: APPLICATION TO SCHOOLS A Thesis by WENYAN WANG Submitted...

  18. A general methodology for quantum modeling of free-energy profile of reactions in solution: An application to the Menshutkin NH3 CH3Cl

    E-Print Network [OSTI]

    Truong, Thanh N.

    A general methodology for quantum modeling of free-energy profile of reactions in solution methodology for calculating free-energy profile of reaction in solution using quantum mechanical methods of molecules in solution, quantum model- ing of free-energy profile in solution still remains a challenge.1

  19. The Structure of Tradeoffs in Model Building

    E-Print Network [OSTI]

    Weisberg, Michael

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

  20. Cross-Linking and Mass Spectrometry Methodologies to Facilitate Structural Biology: Finding a Path through the Maze

    SciTech Connect (OSTI)

    Merkley, Eric D.; Cort, John R.; Adkins, Joshua N.

    2013-09-01

    Multiprotein complexes, rather than individual proteins, make up a large part of the biological macromolecular machinery of a cell. Understanding the structure and organization of these complexes is critical to understanding cellular function. Chemical cross-linking coupled with mass spectrometry is emerging as a complementary technique to traditional structural biology methods and can provide low-resolution structural information for a multitude of purposes, such as distance constraints in computational modeling of protein complexes. In this review, we discuss the experimental considerations for successful application of chemical cross-linking-mass spectrometry in biological studies and highlight three examples of such studies from the recent literature. These examples (as well as many others) illustrate the utility of a chemical cross-linking-mass spectrometry approach in facilitating structural analysis of large and challenging complexes.

  1. Bayesian Multivariate Autoregressive Models with Structured Priors

    E-Print Network [OSTI]

    Roberts, Stephen

    Bayesian Multivariate Autoregressive Models with Structured Priors W:D:Penny 1 and S:J:Roberts 2 (1) learning algorithm for param- eter estimation and model order selection in Multivariate Autoregressive (MAR and electro-encephalogram (EEG) data. 2 #12; 1 Introduction The Multivariate Autoregressive (MAR) process

  2. Introduction and Motivation Structural Model for Laminated Glass Beams Conclusions and Outlook of Laminated Glass Structures

    E-Print Network [OSTI]

    Introduction and Motivation Structural Model for Laminated Glass Beams Conclusions and Outlook 1 #12;Introduction and Motivation Structural Model for Laminated Glass Beams Conclusions and Outlook Outline 1 Introduction and Motivation 2 Structural Model for Laminated Glass Beams 3 Conclusions

  3. Structure Profile by a Model of Precipitation

    E-Print Network [OSTI]

    Wang, Zhenggang

    2009-01-01

    The organizational structure of a network is investigated with a simulated precipitation model which does not make use of prior knowledge about the community structure of the network. The result is presented as a structure profile through which various definitions of communities can be applied for specific applications. The simulated precipitation model performs the grouping of nodes so that nodes belonging to the same 'community' automatically aggregate, thereby revealing regions of the adjacency matrix with denser interconnections. The process is analogous to massive particles precipitating towards the lower potential layer. Without loss of the infrastructure information, a community structure profile of a network can be obtained as the ground state of the Hamiltonian. The method is also applicable to directed and weighted networks.

  4. Modeling Fission Product Sorption in Graphite Structures

    SciTech Connect (OSTI)

    Szlufarska, Izabela; Morgan, Dane; Allen, Todd

    2013-04-08

    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).

  5. Feature extraction for structural dynamics model validation

    SciTech Connect (OSTI)

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

    2010-11-08

    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.

  6. Optimization Modelling Example Design Implementation Conclusions A Structure-Conveying Modelling Language for

    E-Print Network [OSTI]

    Grothey, Andreas

    Optimization Modelling Example Design Implementation Conclusions A Structure-Conveying Modelling Languages for Mathematical Programming 3 An example problem from network design 4 Design of Structured, K. Woodsend Structure-Conveying Modelling Language #12;Optimization Modelling Example Design

  7. Application of Random Vibration Theory Methodology for Seismic...

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

    Random Vibration Theory Methodology for Seismic Soil-Structure Interaction Analysis Application of Random Vibration Theory Methodology for Seismic Soil-Structure Interaction...

  8. Modeling the Capacity and Emissions Impacts of Reduced Electricity Demand. Part 1. Methodology and Preliminary Results.

    E-Print Network [OSTI]

    Coughlin, Katie

    2013-01-01

    2011).pdf. ———. 2012a. “Annual Energy Outlook (AEO) 2012. ”2013. “Annual Energy Outlook - Model Documentation. ”forecast, the Annual Energy Outlook (AEO) (DOE EIA 2012a).

  9. Subspace modelling for structured noise suppression

    E-Print Network [OSTI]

    Zhiqiang Xu; Laura Rebollo-Neira; A. Plastino

    2009-08-07

    The problem of structured noise suppression is addressed by i)modelling the subspaces hosting the components of the signal conveying the information and ii)applying a non-extensive nonlinear technique for effecting the right separation. Although the approach is applicable to all situations satisfying the hypothesis of the proposed framework, this work is motivated by a particular scenario, namely, the cancellation of low frequency noise in broadband seismic signals.

  10. Capital Requirements Estimating Model (CREMOD) for electric utilities. Volume I. Methodology description, model, description, and guide to model applications. [For each year up to 1990

    SciTech Connect (OSTI)

    Collins, D E; Gammon, J; Shaw, M L

    1980-01-01

    The Capital Requirements Estimating Model for the Electric Utilities (CREMOD) is a system of programs and data files used to estimate the capital requirements of the electric utility industry for each year between the current one and 1990. CREMOD disaggregates new electric plant capacity levels from the Mid-term Energy Forecasting System (MEFS) Integrating Model solution over time using actual projected commissioning dates. It computes the effect on aggregate capital requirements of dispersal of new plant and capital expenditures over relatively long construction lead times on aggregate capital requirements for each year. Finally, it incorporates the effects of real escalation in the electric utility construction industry on these requirements and computes the necessary transmission and distribution expenditures. This model was used in estimating the capital requirements of the electric utility sector. These results were used in compilation of the aggregate capital requirements for the financing of energy development as published in the 1978 Annual Report to Congress. This volume, Vol. I, explains CREMOD's methodology, functions, and applications.

  11. Formal Calibration Methodology for CFD Model Development to Support the Operation of Energy Efficient Buildings 

    E-Print Network [OSTI]

    Hajdukiewicz, M.; Keane, M.; O'Flynn, B.; O'Grady, W.

    2010-01-01

    . The work focuses on developing systematically calibrated CFD models for controlled environments that include clean rooms, health environments, pharmaceutical storage rooms and information and communication technology locations, utilizing wireless sensor...

  12. A Systematic Methodology to Underpin the CC® Process Using Calibrated BES Models 

    E-Print Network [OSTI]

    White, G.; Keane, M.; Raftery, P.; Coakley, D.

    2011-01-01

    This paper describes a theoretical framework for utilizing whole building and reduced order calibrated BES models to underpin a systematic Continuous Commissioning® (CC®) process for building environmental optimisation and effective energy...

  13. GREET 1.0 -- Transportation fuel cycles model: Methodology and use

    SciTech Connect (OSTI)

    Wang, M.Q.

    1996-06-01

    This report documents the development and use of the Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model. The model, developed in a spreadsheet format, estimates the full fuel-cycle emissions and energy use associated with various transportation fuels for light-duty vehicles. The model calculates fuel-cycle emissions of five criteria pollutants (volatile organic compounds, Co, NOx, SOx, and particulate matter measuring 10 microns or less) and three greenhouse gases (carbon dioxide, methane, and nitrous oxide). The model also calculates the total fuel-cycle energy consumption, fossil fuel consumption, and petroleum consumption using various transportation fuels. The GREET model includes 17 fuel cycles: petroleum to conventional gasoline, reformulated gasoline, clean diesel, liquefied petroleum gas, and electricity via residual oil; natural gas to compressed natural gas, liquefied petroleum gas, methanol, hydrogen, and electricity; coal to electricity; uranium to electricity; renewable energy (hydropower, solar energy, and wind) to electricity; corn, woody biomass, and herbaceous biomass to ethanol; and landfill gases to methanol. This report presents fuel-cycle energy use and emissions for a 2000 model-year car powered by each of the fuels that are produced from the primary energy sources considered in the study.

  14. Fragility Analysis Methodology for Degraded Structures and Passive Components in Nuclear Power Plants - Illustrated using a Condensate Storage Tank

    SciTech Connect (OSTI)

    Nie, J.; Braverman, J.; Hofmayer, C.; Choun, Y.; Kim, M.; Choi, I.

    2010-06-30

    The Korea Atomic Energy Research Institute (KAERI) is conducting a five-year research project to develop a realistic seismic risk evaluation system which includes the consideration of aging of structures and components in nuclear power plants (NPPs). The KAERI research project includes three specific areas that are essential to seismic probabilistic risk assessment (PRA): (1) probabilistic seismic hazard analysis, (2) seismic fragility analysis including the effects of aging, and (3) a plant seismic risk analysis. Since 2007, Brookhaven National Laboratory (BNL) has entered into a collaboration agreement with KAERI to support its development of seismic capability evaluation technology for degraded structures and components. The collaborative research effort is intended to continue over a five year period. The goal of this collaboration endeavor is to assist KAERI to develop seismic fragility analysis methods that consider the potential effects of age-related degradation of structures, systems, and components (SSCs). The research results of this multi-year collaboration will be utilized as input to seismic PRAs. In the Year 1 scope of work, BNL collected and reviewed degradation occurrences in US NPPs and identified important aging characteristics needed for the seismic capability evaluations. This information is presented in the Annual Report for the Year 1 Task, identified as BNL Report-81741-2008 and also designated as KAERI/RR-2931/2008. The report presents results of the statistical and trending analysis of this data and compares the results to prior aging studies. In addition, the report provides a description of U.S. current regulatory requirements, regulatory guidance documents, generic communications, industry standards and guidance, and past research related to aging degradation of SSCs. In the Year 2 scope of work, BNL carried out a research effort to identify and assess degradation models for the long-term behavior of dominant materials that are determined to be risk significant to NPPs. Multiple models have been identified for concrete, carbon and low-alloy steel, and stainless steel. These models are documented in the Annual Report for the Year 2 Task, identified as BNL Report-82249-2009 and also designated as KAERI/TR-3757/2009. This report describes the research effort performed by BNL for the Year 3 scope of work. The objective is for BNL to develop the seismic fragility capacity for a condensate storage tank with various degradation scenarios. The conservative deterministic failure margin method has been utilized for the undegraded case and has been modified to accommodate the degraded cases. A total of five seismic fragility analysis cases have been described: (1) undegraded case, (2) degraded stainless tank shell, (3) degraded anchor bolts, (4) anchorage concrete cracking, and (5)a perfect combination of the three degradation scenarios. Insights from these fragility analyses are also presented.

  15. Study of construction methodology and structural behaviour of fabric-formed form-efficient reinforced concrete beam 

    E-Print Network [OSTI]

    Lee, Sang Hoon

    2011-11-23

    The nature of this research is in advancing conventional structures and their methods of construction by exploring new technology. The formwork construction of the modern concrete structure involves the use of rigid materials ...

  16. Comparison of Two Gas Selection Methodologies: An Application of Bayesian Model Averaging

    SciTech Connect (OSTI)

    Renholds, Andrea S.; Thompson, Sandra E.; Anderson, Kevin K.; Chilton, Lawrence K.

    2006-03-31

    One goal of hyperspectral imagery analysis is the detection and characterization of plumes. Characterization includes identifying the gases in the plumes, which is a model selection problem. Two gas selection methods compared in this report are Bayesian model averaging (BMA) and minimum Akaike information criterion (AIC) stepwise regression (SR). Simulated spectral data from a three-layer radiance transfer model were used to compare the two methods. Test gases were chosen to span the types of spectra observed, which exhibit peaks ranging from broad to sharp. The size and complexity of the search libraries were varied. Background materials were chosen to either replicate a remote area of eastern Washington or feature many common background materials. For many cases, BMA and SR performed the detection task comparably in terms of the receiver operating characteristic curves. For some gases, BMA performed better than SR when the size and complexity of the search library increased. This is encouraging because we expect improved BMA performance upon incorporation of prior information on background materials and gases.

  17. Infrastructure for 3D model reconstruction of marine structures

    E-Print Network [OSTI]

    Kurniawati, Hanna

    2011-01-01

    3D model reconstruction of marine structures, such as dams, oil-rigs, and sea caves, is both important and challenging. An important application includes structural inspection. Manual inspection of marine structures is ...

  18. Developing a Cost Model and Methodology to Estimate Capital Costs for Thermal Energy Storage

    SciTech Connect (OSTI)

    Glatzmaier, G.

    2011-12-01

    This report provides an update on the previous cost model for thermal energy storage (TES) systems. The update allows NREL to estimate the costs of such systems that are compatible with the higher operating temperatures associated with advanced power cycles. The goal of the Department of Energy (DOE) Solar Energy Technology Program is to develop solar technologies that can make a significant contribution to the United States domestic energy supply. The recent DOE SunShot Initiative sets a very aggressive cost goal to reach a Levelized Cost of Energy (LCOE) of 6 cents/kWh by 2020 with no incentives or credits for all solar-to-electricity technologies.1 As this goal is reached, the share of utility power generation that is provided by renewable energy sources is expected to increase dramatically. Because Concentrating Solar Power (CSP) is currently the only renewable technology that is capable of integrating cost-effective energy storage, it is positioned to play a key role in providing renewable, dispatchable power to utilities as the share of power generation from renewable sources increases. Because of this role, future CSP plants will likely have as much as 15 hours of Thermal Energy Storage (TES) included in their design and operation. As such, the cost and performance of the TES system is critical to meeting the SunShot goal for solar technologies. The cost of electricity from a CSP plant depends strongly on its overall efficiency, which is a product of two components - the collection and conversion efficiencies. The collection efficiency determines the portion of incident solar energy that is captured as high-temperature thermal energy. The conversion efficiency determines the portion of thermal energy that is converted to electricity. The operating temperature at which the overall efficiency reaches its maximum depends on many factors, including material properties of the CSP plant components. Increasing the operating temperature of the power generation system leads to higher thermal-to-electric conversion efficiency. However, in a CSP system, higher operating temperature also leads to greater thermal losses. These two effects combine to give an optimal system-level operating temperature that may be less than the upper operating temperature limit of system components. The overall efficiency may be improved by developing materials, power cycles, and system-integration strategies that enable operation at elevated temperature while limiting thermal losses. This is particularly true for the TES system and its components. Meeting the SunShot cost target will require cost and performance improvements in all systems and components within a CSP plant. Solar collector field hardware will need to decrease significantly in cost with no loss in performance and possibly with performance improvements. As higher temperatures are considered for the power block, new working fluids, heat-transfer fluids (HTFs), and storage fluids will all need to be identified to meet these new operating conditions. Figure 1 shows thermodynamic conversion efficiency as a function of temperature for the ideal Carnot cycle and 75% Carnot, which is considered to be the practical efficiency attainable by current power cycles. Current conversion efficiencies for the parabolic trough steam cycle, power tower steam cycle, parabolic dish/Stirling, Ericsson, and air-Brayton/steam Rankine combined cycles are shown at their corresponding operating temperatures. Efficiencies for supercritical steam and carbon dioxide (CO{sub 2}) are also shown for their operating temperature ranges.

  19. Fit Index Sensitivity in Multilevel Structural Equation Modeling

    E-Print Network [OSTI]

    Boulton, Aaron Jacob

    2011-07-29

    Multilevel Structural Equation Modeling (MSEM) is used to estimate latent variable models in the presence of multilevel data. A key feature of MSEM is its ability to quantify the extent to which a hypothesized model fits ...

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

    SciTech Connect (OSTI)

    Smith, N. A. S. E-mail: maciej.rokosz@npl.co.uk Correia, T. M. E-mail: maciej.rokosz@npl.co.uk; Rokosz, M. K. E-mail: maciej.rokosz@npl.co.uk

    2014-07-28

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

  1. Evolution of Middle Eastern Social Structures: a new model

    E-Print Network [OSTI]

    White, Douglas R.

    Evolution of Middle Eastern Social Structures: a new model Abstract The desert is small relative: evolution, endogamy, population, raiding, Bedouin,] #12;2 Evolution of Middle Eastern Social Structures

  2. NOTES TOWARD A MODEL FOR THE STRUCTURE OF KNOWLEDGE SYSTEMS

    E-Print Network [OSTI]

    Futrell, Richard H.

    1972-10-01

    This paper reviews two formulations of some structural aspects of knowledge systems. These two structural specifications of knowledge systems, by Judith Willer and by Norwood Russell Hanson, are then combined to suggest a model for relating several...

  3. Fracture of welded aluminum thin-walled structures

    E-Print Network [OSTI]

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

    2006-01-01

    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. ...

  4. Robust nite-di erence modelling of complex structures1

    E-Print Network [OSTI]

    Cerveny, Vlastislav

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

  5. Exploiting Compositionality to Explore a Large Space of Model Structures

    E-Print Network [OSTI]

    Grosse, Roger Baker

    The recent proliferation of richly structured probabilistic models raises the question of how to automatically determine an appropriate model for a dataset. We investigate this question for a space of matrix decomposition ...

  6. Continuous mutual improvement of macromolecular structure models...

    Office of Scientific and Technical Information (OSTI)

    software: The dual role of deposited experimental data Accurate crystal structures of macromolecules are of high importance in the biological and biomedical fields....

  7. Modeling and Optimal Design of Di ractive Optical Structures

    E-Print Network [OSTI]

    Dobson, David C.

    Modeling and Optimal Design of Di ractive Optical Structures Gang Bao Department of Mathematics be designed to perform functions unattainable with traditionaloptical elements. For example, structures and for the determination of optimal" device designs. In contrast to the case of traditional optical structures, geometrical

  8. Modeling covariance structure in unbalanced longitudinal data 

    E-Print Network [OSTI]

    Chen, Min

    2009-05-15

    -effects models: average maximum likelihood estimators and Monte Carlo standard deviations from the true model and five scenarios considered in the simulation study. . 55 ix LIST OF FIGURES FIGURE Page 1 Fitted log-innovation variances and generalized... autoregressive pa- rameters for the fixed-effects model with 10% of the cattle data missing. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28 2 Fitted log-innovation variances and generalized autoregressive pa- rameters for the fixed...

  9. Structural Equation Modeling For Travel Behavior Research

    E-Print Network [OSTI]

    Golob, Thomas F.

    2001-01-01

    T.F. R. Kitamura and C. Lula, 1994. Modeling the Effects ofand Golob, Kitamura and Lula (1994) were the first to apply

  10. Structural Equation Modeling for Travel Behavior Research

    E-Print Network [OSTI]

    Golob, Thomas F.

    2001-01-01

    T.F. R. Kitamura and C. Lula, 1994. Modeling the Effects ofand Golob, Kitamura and Lula (1994) were the first to apply

  11. Structural Equation Modeling For Travel Behavior Research

    E-Print Network [OSTI]

    Golob, Thomas F.

    2011-01-01

    T.F. R. Kitamura and C. Lula, 1994. Modeling the Effects ofand Golob, Kitamura and Lula (1994) were the first to apply

  12. A Model for Interlevel Coupling Noise in Multilevel Interconnect ' Structures

    E-Print Network [OSTI]

    Swaminathan, Madhavan

    A Model for Interlevel Coupling Noise in Multilevel Interconnect ' Structures Martin Saint- case noise is simulated using an RC transmission line model that includes the timing of the attackers noise model is sometimes very desirable, in particular for the design of clock distribution networks

  13. Distributed Prognostics Based on Structural Model Decomposition

    E-Print Network [OSTI]

    Daigle, Matthew

    efficiency. Using a centrifugal pump as a case study, we perform a number of simulation-based experiments or probability Q volumetric flow T temperature r friction coefficient w wear parameter M model/submodel v

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

    Open Energy Info (EERE)

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

  15. Non-normality of Data in Structural Equation Models

    E-Print Network [OSTI]

    Gao, Shengyi; Mokhtarian, Patricia L; Johnston, Robert A.

    2008-01-01

    J. F. Finch, and P. J. Curran. Structural equations models2, 1993, pp. 313-338. 16. Curran, P. J. , S. G. West, and J.appeared not to be useful. Curran et al. (16) compared the

  16. Reduced Order Structural Modeling of Wind Turbine Blades 

    E-Print Network [OSTI]

    Jonnalagadda, Yellavenkatasunil

    2011-10-21

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

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

    E-Print Network [OSTI]

    Tomer Shacham

    2012-05-27

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

  18. 3-D Structural Modeling of Humic Acids through Experimental

    E-Print Network [OSTI]

    Goddard III, William A.

    for a "typical" soilHA.SchlutenandSchnitzer(11)havecombinedelemental analysis, 13C NMR, pyrolysis mass Structure Elucidation and Atomistic Simulations. 1. Chelsea Soil Humic Acid M A M A D O U S . D I A L L O to the CASE program SIGNATURE to generate all 3-D structural models for Chelsea soil humic acid (HA

  19. MOLECULAR MODELING OF PROTEINS AND MATHEMATICAL PREDICTION OF PROTEIN STRUCTURE

    E-Print Network [OSTI]

    Neumaier, Arnold

    MOLECULAR MODELING OF PROTEINS AND MATHEMATICAL PREDICTION OF PROTEIN STRUCTURE ARNOLD NEUMAIER­called protein folding problem. The static aspect is concerned with how to predict the folded (native, tertiary) structure of a protein, given its sequence of amino acids. The dynamic aspect asks about the possible

  20. MOLECULAR MODELING OF PROTEINS AND MATHEMATICAL PREDICTION OF PROTEIN STRUCTURE

    E-Print Network [OSTI]

    Neumaier, Arnold

    MOLECULAR MODELING OF PROTEINS AND MATHEMATICAL PREDICTION OF PROTEIN STRUCTURE ARNOLD NEUMAIER-called protein folding problem. The static aspect is concerned with how to predict the folded (native, tertiary) structure of a protein, given its sequence of amino acids. The dynamic aspect asks about the possible

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

    E-Print Network [OSTI]

    Claudin, Philippe

    Modeling emergent large-scale structures of barchan dune fields S. Worman , A.B. Murray , R, barchan dunes typically exist as members of larger fields that display strik- ing, enigmatic structures that cannot be readily explained by examining the dynamics at the scale of single dunes, or by appealing

  2. Structure Learning for Generative Models of Protein Fold Families

    E-Print Network [OSTI]

    Structure Learning for Generative Models of Protein Fold Families Sivaraman Balakrishnan composition of the proteins within a fold family are widely used in science and engineering. Existing composition of the proteins within a fold family provide insights into the constraints that govern structure

  3. Lattice Boltzmann Model for Electronic Structure Simulations

    E-Print Network [OSTI]

    Mendoza, M; Succi, S

    2015-01-01

    Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a suitable single-particle kinetic equation. By using a discrete version of this new formalism, the exchange and correlation energies of simple atoms and the geometrical configuration of the methane molecule were calculated accurately. Here, we discuss the main ideas behind the lattice kinetic approach to electronic structure computations, offer some considerations for prospective extensions, and also show additional numerical results, namely the geometrical configuration of the water molecule.

  4. Lattice Boltzmann Model for Electronic Structure Simulations

    E-Print Network [OSTI]

    M. Mendoza; H. J. Herrmann; S. Succi

    2015-07-28

    Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a suitable single-particle kinetic equation. By using a discrete version of this new formalism, the exchange and correlation energies of simple atoms and the geometrical configuration of the methane molecule were calculated accurately. Here, we discuss the main ideas behind the lattice kinetic approach to electronic structure computations, offer some considerations for prospective extensions, and also show additional numerical results, namely the geometrical configuration of the water molecule.

  5. Methodology and results of the impacts of modeling electric utilities ; a comparative evaluation of MEMM and REM

    E-Print Network [OSTI]

    Baughman, Martin L.

    1981-01-01

    This study compares two models of the U.S. electric utility industry including the EIA's electric utility submodel in the Midterm Energy Market Model (MEMM), and the Baughman-Joskow Regionalized Electricity Model (REM). ...

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

    E-Print Network [OSTI]

    Kazuya Koyama

    2006-01-10

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

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

    E-Print Network [OSTI]

    Koyama, K

    2006-01-01

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

  8. A covariant model for the nucleon spin structure

    E-Print Network [OSTI]

    Ramalho, G

    2015-01-01

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

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

    SciTech Connect (OSTI)

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

    2010-07-07

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

  10. Structure formation in a nonlocally modified gravity model

    SciTech Connect (OSTI)

    Park, Sohyun; Dodelson, Scott

    2013-01-01

    We study a nonlocally modified gravity model proposed by Deser and Woodard which gives an explanation for current cosmic acceleration. By deriving and solving the equations governing the evolution of the structure in the Universe, we show that this model predicts a pattern of growth that differs from standard general relativity (+dark energy) at the 10-30% level. These differences will be easily probed by the next generation of galaxy surveys, so the model should be tested shortly.

  11. The Canonical Structure of Wess-Zumino-Witten Models

    E-Print Network [OSTI]

    G. Papadopoulos; B. Spence

    1992-04-30

    The phase space of the Wess-Zumino-Witten model on a circle with target space a compact, connected, semisimple Lie group $G$ is defined and the corresponding symplectic form is given. We present a careful derivation of the Poisson brackets of the Wess-Zumino-Witten model. We also study the canonical structure of the supersymmetric and the gauged Wess-Zumino-Witten models.

  12. Climate Change Modeling and Downscaling Issues and Methodological Perspectives for the U.S. National Climate Assessment

    SciTech Connect (OSTI)

    Janetos, Anthony C.; Collins, William D.; Wuebbles, D.J.; Diffenbaugh, Noah; Hayhoe, Katharine; Hibbard, Kathleen A.; Hurtt, George

    2012-03-31

    This is the full workshop report for the modeling workshop we did for the National Climate Assessment, with DOE support.

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

    E-Print Network [OSTI]

    Lutz, James Delmar

    1986-01-01

    Composite Space Structures. (May 1986) James Delmar Lutz, B. S. , Texas A&M University Chairmen of Advisory Committee: Dr. David H. Allen Dr. Walter E. Haisler A finite element model is developed for predicting the transient thermal/structural response... of structures to be analyzed in order to simplify the heat load analysis. The first r estr iction applies to the geometry of struc- tures to be analyzed. An appropriate structure should be of open lattice-type construction and have highly repetitive...

  14. Investigation of integrally-heated tooling and thermal modeling methodologies for the rapid cure of aerospace composites

    E-Print Network [OSTI]

    Bromley, Harrison Scott

    2015-01-01

    Carbon Fiber Reinforced Polymer (CFRP) composite manufacturing requires the CFRP part on the associated tool to be heated, cured, and cooled via a prescribed thermal profile. Current methods use large fixed structures such ...

  15. 3D HYBRID RAY-FD AND DWN-FD SEISMIC MODELING FOR SIMPLE MODELS CONTAINING COMPLEX LOCAL STRUCTURES

    E-Print Network [OSTI]

    Cerveny, Vlastislav

    3D HYBRID RAY-FD AND DWN-FD SEISMIC MODELING FOR SIMPLE MODELS CONTAINING COMPLEX LOCAL STRUCTURES local structure embedded in a large, but considerably simpler, regional structure. The hybrid modelling to compute the seismic wavefield due to the source and simple regional structure. The complex local structure

  16. PHASE STRUCTURE OF TWISTED EGUCHI-KAWAI MODEL.

    SciTech Connect (OSTI)

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

    2007-07-30

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

  17. Advances on statistical/thermodynamical models for unpolarized structure functions

    SciTech Connect (OSTI)

    Trevisan, Luis A.; Mirez, Carlos; Tomio, Lauro

    2013-03-25

    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.

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

    E-Print Network [OSTI]

    Pornprasertmanit, Sunthud

    2014-08-31

    hypothesized model M. The discrepancy (FM) between the two means and covariance matrices can be computed using Equation 1.1 (Kenny & McCoach, 2003): FM = tr { ? [?M] ?1 } ? log ? ? ?? [?M] ?1 ? ? ??N +[µ ?µM]? [?M]?1 [µ ?µM] , (1.1) where N is sample size. FM...- crepancy function is defined by Equation 1.2 (Browne & Cudeck, 1992; Satorra & Saris, 1985; Saris & Satorra, 1993): ?M = (N?1)FM. (1.2) That is, the discrepancy value can be calculated by dividing the chi-square value by sample size minus 1. Most fit...

  19. Model for Dynamic Self-Assembled Magnetic Surface Structures

    E-Print Network [OSTI]

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

    2010-02-02

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

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

    SciTech Connect (OSTI)

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

    2003-08-17

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

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

    E-Print Network [OSTI]

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

    2009-10-02

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

  2. A STRUCTURAL-MAGNETIC STRAIN MODEL FOR MAGNETOSTRICTIVE TRANSDUCERS

    E-Print Network [OSTI]

    strains and forces is provided by a magnetic bias generated by either the surrounding permanent magnet of a cylindrical Terfenol-D rod, a wound wire solenoid, an enclosing permanent magnet and a prestress mechanismA STRUCTURAL-MAGNETIC STRAIN MODEL FOR MAGNETOSTRICTIVE TRANSDUCERS Marcelo J. Dapino Department

  3. Topological Structures of Cluster Spins for Ising Models

    E-Print Network [OSTI]

    You-gang Feng

    2010-03-19

    We discussed hierarchies and rescaling rule of the self similar transformations in Ising models, and define a fractal dimension of an ordered cluster, which minimum corresponds to a fixed point of the transformations. By the fractal structures we divide the clusters into two types: irreducible and reducible. A relationship of cluster spin with its coordination number and fractal dimension is obtained.

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

    E-Print Network [OSTI]

    O'Leary, Michael

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

  5. Modeling Blast Loading on Buried Reinforced Concrete Structures with Zapotec

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

    Bessette, Greg C.

    2008-01-01

    A coupled Euler-Lagrange solution approach is used to model the response of a buried reinforced concrete structure subjected to a close-in detonation of a high explosive charge. The coupling algorithm is discussed along with a set of benchmark calculations involving detonations in clay and sand.

  6. A Scalable Approach to Learn Semantic Models of Structured Sources

    E-Print Network [OSTI]

    Ambite, José Luis

    of information available on the Web is available in sources such as relational databases, spreadsheets, XML, JSON concepts and relationships within a domain, and source descriptions are formal specifications of semanticA Scalable Approach to Learn Semantic Models of Structured Sources Mohsen Taheriyan, Craig A

  7. Lattice and off-lattice side chain models of protein folding: Linear time structure prediction better than 86% of optimal

    SciTech Connect (OSTI)

    Hart, W.E.; Istrail, S. [Sandia National Labs., Albuquerque, NM (United States). Algorithms and Discrete Mathematics Dept.

    1996-08-09

    This paper considers the protein structure prediction problem for lattice and off-lattice protein folding models that explicitly represent side chains. Lattice models of proteins have proven extremely useful tools for reasoning about protein folding in unrestricted continuous space through analogy. This paper provides the first illustration of how rigorous algorithmic analyses of lattice models can lead to rigorous algorithmic analyses of off-lattice models. The authors consider two side chain models: a lattice model that generalizes the HP model (Dill 85) to explicitly represent side chains on the cubic lattice, and a new off-lattice model, the HP Tangent Spheres Side Chain model (HP-TSSC), that generalizes this model further by representing the backbone and side chains of proteins with tangent spheres. They describe algorithms for both of these models with mathematically guaranteed error bounds. In particular, the authors describe a linear time performance guaranteed approximation algorithm for the HP side chain model that constructs conformations whose energy is better than 865 of optimal in a face centered cubic lattice, and they demonstrate how this provides a 70% performance guarantee for the HP-TSSC model. This is the first algorithm in the literature for off-lattice protein structure prediction that has a rigorous performance guarantee. The analysis of the HP-TSSC model builds off of the work of Dancik and Hannenhalli who have developed a 16/30 approximation algorithm for the HP model on the hexagonal close packed lattice. Further, the analysis provides a mathematical methodology for transferring performance guarantees on lattices to off-lattice models. These results partially answer the open question of Karplus et al. concerning the complexity of protein folding models that include side chains.

  8. Creating a methodology and tool to capture and resolve conflicts in developing software requirements: Requirement Lifecycle Modeling Views manager (RLMV) 

    E-Print Network [OSTI]

    Herrera, Leeha Rae-Lyn

    2013-02-22

    aspects of the system, as it is developed. RLMV works with existing software tools created by a corporation named Rational. The tool itself is implemented using Java and Oracle. RLMV is designed to trace pre-defined requirements to modeling diagrams...

  9. Comparison of {gamma}Z-structure function models

    SciTech Connect (OSTI)

    Rislow, Benjamin C.

    2013-11-01

    The {gamma}Z-box is an important contribution to the proton's weak charge. The {gamma}Z-box is calculated dispersively and depends on {gamma}Z-structure functions, F{sub {gamma}Z1,2,3}(x,Q{sup 2}) . At present there is no data for these structure functions and they must be modeled by modifying existing fits to electromagnetic data. Each group that has studied the {gamma}Z-box used different modifications. The results of the PVDIS experiment at Jefferson Lab may provide a first test of the validity of each group's models. I present details of the different models and their predictions for the PVDIS result.

  10. Structural Design Composition for C++ Hardware Models Frederic Doucet, Vivek Sinha, Rajesh Gupta

    E-Print Network [OSTI]

    Gupta, Rajesh

    Structural Design Composition for C++ Hardware Models Frederic Doucet, Vivek Sinha, Rajesh Gupta design to specify these structural concerns. 1. Introduction High level modeling using C/C++ models [11,vsinha,rguptag@ics.uci.edu Abstract This paper addresses the modeling of layout structure in high level C++ models. Researchers agree

  11. Structural Health Monitoring

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

    Current Collaborations Past Collaborations NSEC Engineering Institute Structural Health Monitoring Engineering Institute Structural Health Monitoring- Methodology Contact...

  12. Quantitative Analysis of Variability and Uncertainty in Environmental Data and Models. Volume 1. Theory and Methodology Based Upon Bootstrap Simulation

    SciTech Connect (OSTI)

    Frey, H. Christopher; Rhodes, David S.

    1999-04-30

    This is Volume 1 of a two-volume set of reports describing work conducted at North Carolina State University sponsored by Grant Number DE-FG05-95ER30250 by the U.S. Department of Energy. The title of the project is “Quantitative Analysis of Variability and Uncertainty in Acid Rain Assessments.” The work conducted under sponsorship of this grant pertains primarily to two main topics: (1) development of new methods for quantitative analysis of variability and uncertainty applicable to any type of model; and (2) analysis of variability and uncertainty in the performance, emissions, and cost of electric power plant combustion-based NOx control technologies. These two main topics are reported separately in Volumes 1 and 2.

  13. Model comparison for the density structure across solar coronal waveguides

    E-Print Network [OSTI]

    Arregui, I; Ramos, A Asensio

    2015-01-01

    The spatial variation of physical quantities, such as the mass density, across solar atmospheric waveguides governs the timescales and spatial scales for wave damping and energy dissipation. The direct measurement of the spatial distribution of density, however, is difficult and indirect seismology inversion methods have been suggested as an alternative. We applied Bayesian inference, model comparison, and model-averaging techniques to the inference of the cross-field density structuring in solar magnetic waveguides using information on periods and damping times for resonantly damped magnetohydrodynamic (MHD) transverse kink oscillations. Three commonly employed alternative profiles were used to model the variation of the mass density across the waveguide boundary. Parameter inference enabled us to obtain information on physical quantities such as the Alfv\\'en travel time, the density contrast, and the transverse inhomogeneity length scale. The inference results from alternative density models were compared a...

  14. Deriving Initial Data Warehouse Structures from the Conceptual Data Models of the Underlying Operational

    E-Print Network [OSTI]

    Song, Il-Yeol

    Model (ERM) and the conceptual basis of the data modeling technique used by the SAP Corporation, Conceptual Data Model, Entity Relationship Model (ERM), Structured Entity Relationship Model (SERM), Star

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

    E-Print Network [OSTI]

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

    2015-01-01

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

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

    E-Print Network [OSTI]

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

    2006-07-25

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

  17. Structure formation in inhomogeneous Early Dark Energy models

    SciTech Connect (OSTI)

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

    2013-06-01

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

  18. Scaling issues associated with thermal and structural modeling and testing

    SciTech Connect (OSTI)

    Thomas, R.K.; Moya, J.L.; Skocypec, R.D.

    1993-10-01

    Sandia National Laboratories (SNL) is actively engaged in research to characterize abnormal environments, and to improve our capability to accurately predict the response of engineered systems to thermal and structural events. Abnormal environments, such as impact and fire, are complex and highly nonlinear phenomena which are difficult to model by computer simulation. Validation of computer results with full scale, high fidelity test data is required. The number of possible abnormal environments and the range of initial conditions are very large. Because full-scale tests are very costly, only a minimal number have been conducted. Scale model tests are often performed to span the range of abnormal environments and initial conditions unobtainable by full-scale testing. This paper will discuss testing capabilities at SNL, issues associated with thermal and structural scaling, and issues associated with extrapolating scale model data to full-scale system response. Situated a few minutes from Albuquerque, New Mexico, are the unique test facilities of Sandia National Laboratories. The testing complex is comprised of over 40 facilities which occupy over 40 square miles. Many of the facilities have been designed and built by SNL to simulate complex problems encountered in engineering analysis and design. The facilities can provide response measurements, under closely controlled conditions, to both verify mathematical models of engineered systems and satisfy design specifications.

  19. Ultrafast Structural Dynamics in Combustion Relevant Model Systems

    SciTech Connect (OSTI)

    Weber, Peter M.

    2014-03-31

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

  20. Nonlinear structure formation in the cubic Galileon gravity model

    SciTech Connect (OSTI)

    Barreira, Alexandre; Li, Baojiu; Hellwing, Wojciech A.; Baugh, Carlton M.; Pascoli, Silvia E-mail: baojiu.li@durham.ac.uk E-mail: c.m.baugh@durham.ac.uk

    2013-10-01

    We model the linear and nonlinear growth of large scale structure in the Cubic Galileon gravity model, by running a suite of N-body cosmological simulations using the ECOSMOG code. Our simulations include the Vainshtein screening effect, which reconciles the Cubic Galileon model with local tests of gravity. In the linear regime, the amplitude of the matter power spectrum increases by ? 20% with respect to the standard ?CDM model today. The modified expansion rate accounts for ? 15% of this enhancement, while the fifth force is responsible for only ? 5%. This is because the effective unscreened gravitational strength deviates from standard gravity only at late times, even though it can be twice as large today. In the nonlinear regime (k?>0.1h Mpc{sup ?1}), the fifth force leads to only a modest increase (?<8%) in the clustering power on all scales due to the very efficient operation of the Vainshtein mechanism. Such a strong effect is typically not seen in other models with the same screening mechanism. The screening also results in the fifth force increasing the number density of halos by less than 10%, on all mass scales. Our results show that the screening does not ruin the validity of linear theory on large scales which anticipates very strong constraints from galaxy clustering data. We also show that, whilst the model gives an excellent match to CMB data on small angular scales (l?>50), the predicted integrated Sachs-Wolfe effect is in tension with Planck/WMAP results.

  1. Hybrid Structural Model of the Complete Human ESCRT-0 Complex

    SciTech Connect (OSTI)

    Ren, Xuefeng; Kloer, Daniel P.; Kim, Young C.; Ghirlando, Rodolfo; Saidi, Layla F.; Hummer, Gerhard; Hurley, James H.; (NIH)

    2009-03-31

    The human Hrs and STAM proteins comprise the ESCRT-0 complex, which sorts ubiquitinated cell surface receptors to lysosomes for degradation. Here we report a model for the complete ESCRT-0 complex based on the crystal structure of the Hrs-STAM core complex, previously solved domain structures, hydrodynamic measurements, and Monte Carlo simulations. ESCRT-0 expressed in insect cells has a hydrodynamic radius of R{sub H} = 7.9 nm and is a 1:1 heterodimer. The 2.3 {angstrom} crystal structure of the ESCRT-0 core complex reveals two domain-swapped GAT domains and an antiparallel two-stranded coiled-coil, similar to yeast ESCRT-0. ESCRT-0 typifies a class of biomolecular assemblies that combine structured and unstructured elements, and have dynamic and open conformations to ensure versatility in target recognition. Coarse-grained Monte Carlo simulations constrained by experimental R{sub H} values for ESCRT-0 reveal a dynamic ensemble of conformations well suited for diverse functions.

  2. Methodological Research Future Work

    E-Print Network [OSTI]

    Wolfe, Patrick J.

    Outline Background Methodological Research Results Future Work New Dataset 1878 PCA for 1000 rmfs Background Methodological Research Results Future Work New Dataset 1878 PCA for 1000 rmfs Background Quasar Analysis Future Work Doubly-intractable Distribution Other Calibration Uncertainty New Dataset

  3. Photovoltaic-system costing-methodology development. Final report

    SciTech Connect (OSTI)

    Not Available

    1982-07-01

    Presented are the results of a study to expand the use of standardized costing methodologies in the National Photovoltaics Program. The costing standards, which include SAMIS for manufacturing costs and M and D for marketing and distribution costs, have been applied to concentrator collectors and power-conditioning units. The M and D model was also computerized. Finally, a uniform construction cost-accounting structure was developed for use in photovoltaic test and application projects. The appendices contain example cases which demonstrate the use of the models.

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

    SciTech Connect (OSTI)

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

    2013-10-10

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

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

    E-Print Network [OSTI]

    Srinivasan, Palanivel Rajan

    2000-01-01

    Linearly elastic finite element models are developed for particular scale-model gravity retaining wall structures. The sand is modeled as a homogenous isotropic linearly elastic continuum. Models are created in four different configurations...

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

    SciTech Connect (OSTI)

    Adkins, Harold E.

    2013-04-01

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

  7. Phase structure in a chiral model of nuclear matter

    SciTech Connect (OSTI)

    Phat, Tran Huu; Anh, Nguyen Tuan; Tam, Dinh Thanh

    2011-08-15

    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.

  8. Probabilistic fatigue methodology and wind turbine reliability

    SciTech Connect (OSTI)

    Lange, C.H. [Stanford Univ., CA (United States)

    1996-05-01

    Wind turbines subjected to highly irregular loadings due to wind, gravity, and gyroscopic effects are especially vulnerable to fatigue damage. The objective of this study is to develop and illustrate methods for the probabilistic analysis and design of fatigue-sensitive wind turbine components. A computer program (CYCLES) that estimates fatigue reliability of structural and mechanical components has been developed. A FORM/SORM analysis is used to compute failure probabilities and importance factors of the random variables. The limit state equation includes uncertainty in environmental loading, gross structural response, and local fatigue properties. Several techniques are shown to better study fatigue loads data. Common one-parameter models, such as the Rayleigh and exponential models are shown to produce dramatically different estimates of load distributions and fatigue damage. Improved fits may be achieved with the two-parameter Weibull model. High b values require better modeling of relatively large stress ranges; this is effectively done by matching at least two moments (Weibull) and better by matching still higher moments. For this purpose, a new, four-moment {open_quotes}generalized Weibull{close_quotes} model is introduced. Load and resistance factor design (LRFD) methodology for design against fatigue is proposed and demonstrated using data from two horizontal-axis wind turbines. To estimate fatigue damage, wind turbine blade loads have been represented by their first three statistical moments across a range of wind conditions. Based on the moments {mu}{sub 1}{hor_ellipsis}{mu}{sub 3}, new {open_quotes}quadratic Weibull{close_quotes} load distribution models are introduced. The fatigue reliability is found to be notably affected by the choice of load distribution model.

  9. Global stability of an age-structure model for TB and its applications ...

    E-Print Network [OSTI]

    1998-07-14

    pendent transmission rates on a model for TB dynamics in a population with or without a vaccination program. The formulation of an age-structure model for.

  10. Modeling and Design of RF MEMS Structures Using Computationally Efficient Numerical Techniques

    E-Print Network [OSTI]

    Tentzeris, Manos

    Modeling and Design of RF MEMS Structures Using Computationally Efficient Numerical Techniques N. A Abstract The modeling of MEMS structures using MRTD is presented. Many complex RF structures have been communication systems efficiently and accurately. Specifically, micromachined structures such as MEMS

  11. Large scale structure simulations of inhomogeneous LTB void models

    E-Print Network [OSTI]

    David Alonso; Juan Garcia-Bellido; Troels Haugboelle; Julian Vicente

    2011-01-11

    We perform numerical simulations of large scale structure evolution in an inhomogeneous Lemaitre-Tolman-Bondi (LTB) model of the Universe. We follow the gravitational collapse of a large underdense region (a void) in an otherwise flat matter-dominated Einstein-deSitter model. We observe how the (background) density contrast at the centre of the void grows to be of order one, and show that the density and velocity profiles follow the exact non-linear LTB solution to the full Einstein equations for all but the most extreme voids. This result seems to contradict previous claims that fully relativistic codes are needed to properly handle the non-linear evolution of large scale structures, and that local Newtonian dynamics with an explicit expansion term is not adequate. We also find that the (local) matter density contrast grows with the scale factor in a way analogous to that of an open universe with a value of the matter density OmegaM(r) corresponding to the appropriate location within the void.

  12. The growth of structure in interacting dark energy models

    SciTech Connect (OSTI)

    Caldera-Cabral, Gabriela; Maartens, Roy; Schaefer, Bjoern Malte E-mail: roy.maartens@port.ac.uk

    2009-07-01

    If dark energy interacts with dark matter, there is a change in the background evolution of the universe, since the dark matter density no longer evolves as a{sup ?3}. In addition, the non-gravitational interaction affects the growth of structure. In principle, these changes allow us to detect and constrain an interaction in the dark sector. Here we investigate the growth factor and the weak lensing signal for a new class of interacting dark energy models. In these models, the interaction generalises the simple cases where one dark fluid decays into the other. In order to calculate the effect on structure formation, we perform a careful analysis of the perturbed interaction and its effect on peculiar velocities. Assuming a normalization to today's values of dark matter density and overdensity, the signal of the interaction is an enhancement (suppression) of both the growth factor and the lensing power, when the energy transfer in the background is from dark matter to dark energy (dark energy to dark matter)

  13. A Deep Learning Model for Structured Outputs with High-order Interaction

    E-Print Network [OSTI]

    Toronto, University of

    A Deep Learning Model for Structured Outputs with High-order Interaction Hongyu Guo , Xiaodan Zhu to generate a powerful nonlinear functional mapping from structured input to structured output. More nonlinear functional mapping from high-order structured input to high-order structured output. To this end

  14. DOE Systems Engineering Methodology

    Office of Environmental Management (EM)

    Systems Engineering Methodology (SEM) In-Stage Assessment Process Guide Version 3 September 2002 U.S. Department of Energy Office of the Chief Information Officer In-Stage...

  15. Geometrical model for malaria parasite migration in structured environments

    E-Print Network [OSTI]

    Anna Battista; Friedrich Frischknecht; Ulrich S. Schwarz

    2014-10-23

    Malaria is transmitted to vertebrates via a mosquito bite, during which rod-like and crescent-shaped parasites, called sporozoites, are injected into the skin of the host. Searching for a blood capillary to penetrate, sporozoites move quickly in locally helical trajectories, that are frequently perturbed by interactions with the extracellular environment. Here we present a theoretical analysis of the active motility of sporozoites in a structured environment. The sporozoite is modelled as a self-propelled rod with spontaneous curvature and bending rigidity. It interacts with hard obstacles through collision rules inferred from experimental observation of two-dimensional sporozoite movement in pillar arrays. Our model shows that complex motion patterns arise from the geometrical shape of the parasite and that its mechanical flexibility is crucial for stable migration patterns. Extending the model to three dimensions reveals that a bent and twisted rod can associate to cylindrical obstacles in a manner reminiscent of the association of sporozoites to blood capillaries, supporting the notion of a prominent role of cell shape during malaria transmission.

  16. On electromagnetic models of ball lightning with topological structure

    E-Print Network [OSTI]

    Donoso, J M; Trueba, J L

    2003-01-01

    It has been long admitted that a consequence of the virial theorem is that there can be no equilibrium configurations of a system of charges in electromagnetic interaction in the absence of external forces. However, recent results have shown that the virial theorem can not preclude the existence of certain nontrivial equilibrium configurations. Although some of these new results are based on an effective microscopic field theory, they are important for a theory of ball lightning that has been developed by the authors of the present work. Other theoretical results relative to magnetic force-free fields with field aligned currents and self-organized filamentary structures are also found to be relevant for this model.

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

    E-Print Network [OSTI]

    Buldyrev, Sergey

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

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

    E-Print Network [OSTI]

    Heaton, Thomas H.

    2006-01-01

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

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

    E-Print Network [OSTI]

    structure in Lake Michigan: spring thermal bar, full stratification, deepening of the thermocline duringModeling circulation and thermal structure in Lake Michigan: Annual cycle and interannual and thermal structure in the lake. The model was able to reproduce all of the basic features of the thermal

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

    E-Print Network [OSTI]

    Wu, Jiun-Yu

    2011-10-21

    researcher can either use the ad-hoc robust sandwich standard error estimators to correct the standard error estimates (Design-based approach) or perform multilevel analysis to model the multilevel data structure (Model-based approach) to analyze dependent...

  1. COMPRO: A Methodological Approach for Business Process Contextualisation

    E-Print Network [OSTI]

    perspective for business process modelling. Business processes are strongly influenced by context, a methodological approach for business process contextualisation. Starting from an initial business process model. Keywords: business process modelling, context-awareness, business process contextualisation, correctness

  2. A Structure-Conveying Modelling Language for Mathematical and Stochastic Programming

    E-Print Network [OSTI]

    Grothey, Andreas

    A Structure-Conveying Modelling Language for Mathematical and Stochastic Programming Marco Colombo present a structure-conveying algebraic modelling language for mathematical pro- gramming. The proposed language extends AMPL with object-oriented features that allows the user to construct models from sub

  3. THE DYNAMICAL STRUCTURE FACTOR AND CRITICAL BEHAVIOR OF A TRAFFIC FLOW MODEL

    E-Print Network [OSTI]

    Lübeck, Sven

    261 THE DYNAMICAL STRUCTURE FACTOR AND CRITICAL BEHAVIOR OF A TRAFFIC FLOW MODEL L. ROTERS, S. L. The behavior of the model is determined by three parameters, the maximal velocity v max , the noise parameter P of the dynamical structure factor of the Nagel­ Schreckenberg traffic flow model based on the local occupation

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

    E-Print Network [OSTI]

    Myers, Natasha

    2007-01-01

    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 ...

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

    E-Print Network [OSTI]

    Sanandaji, Borhan M.

    CONTROL-ORIENTED MODELING OF A SOLID-OXIDE FUEL CELL STACK USING AN LPV MODEL STRUCTURE Borhan M. Sanandaji, Tyrone L. Vincent, Andrew Colclasure, and Robert J. Kee Colorado Fuel Cell Center Engineering dynamic model of a solid oxide fuel cell stack. Using a detailed physical model as a starting point, we

  6. PRECIPITATION DOWNSCALING: METHODOLOGIES AND

    E-Print Network [OSTI]

    Foufoula-Georgiou, Efi

    PRECIPITATION DOWNSCALING: METHODOLOGIES AND HYDROLOGIC APPLICATIONS Efi Foufoula-Georgiou St/or other information. #12;PREMISES OF STATISTICAL DOWNSCALING Precipitation exhibits space-time variability) There is a substantial evidence to suggest that despite the very complex patterns of precipitation

  7. Sigma models with off-shell N=(4,4) supersymmetry and noncommuting complex structures

    E-Print Network [OSTI]

    M. Goteman; U. Lindstrom; M. Rocek; Itai Ryb

    2010-05-02

    We describe the conditions for extra supersymmetry in N=(2,2) supersymmetric nonlinear sigma models written in terms of semichiral superfields. We find that some of these models have additional off-shell supersymmetry. The (4,4) supersymmetry introduces geometrical structures on the target-space which are conveniently described in terms of Yano f-structures and Magri-Morosi concomitants. On-shell, we relate the new structures to the known bi-hypercomplex structures.

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

    E-Print Network [OSTI]

    Poggiale, Jean-Christophe

    Modeling environmental effects on the size-structured energy flow through marine ecosystems. Part 1 size-structured mathematical model of the energy flow through marine ecosystems, based on established the dynamic size-spectrum of marine ecosystems in term of energy con- tent per weight class as well as many

  9. Modeling Structural Changes in Market Demand and Supply 

    E-Print Network [OSTI]

    Park, Beom Su

    2011-10-21

    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 ...

  10. Optimal standoff imaging using structured laser illumination and graphical models

    E-Print Network [OSTI]

    Hardy, Nicholas D. (Nicholas David)

    2014-01-01

    Structured illumination can be used to form images without using a lens or a detector array. A series of spatially-structured laser pulses is cast on the scene of interest, and a single-detector power measurement is made ...

  11. Structural health management (SHM) is emerging as a vital methodology to help engineers improve the safety and maintainability of critical structures. SHM systems are designed to reliably monitor and test

    E-Print Network [OSTI]

    , and prediction of the remaining useful life of complex composite structures. To interrogate a composite structure, and regression analysis. Due to the wide application of carbon fiber reinforced composites and their multiscale are selected because of their versatility, which allows them to be used as sensors and actuators. Feature

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

    E-Print Network [OSTI]

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

  13. Lifecycle Model

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    1997-05-21

    This chapter describes the lifecycle model used for the Departmental software engineering methodology.

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

    E-Print Network [OSTI]

    Arciniega Aleman, Roman Augusto

    2006-04-12

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

  15. Trees and beyond : exploiting and improving tree-structured graphical models

    E-Print Network [OSTI]

    Choi, Myung Jin, Ph. D. Massachusetts Institute of Technology

    2011-01-01

    Probabilistic models commonly assume that variables are independent of each other conditioned on a subset of other variables. Graphical models provide a powerful framework for encoding such conditional independence structure ...

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

    E-Print Network [OSTI]

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

    1998-01-01

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

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

    E-Print Network [OSTI]

    Cizelj, Leon

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

  18. BASF's Energy Survey Methodology 

    E-Print Network [OSTI]

    Theising, T. R.

    2005-01-01

    Methodology Thomas R. Theising BASF Corporation operates several dozen manufacturing Sites within NAFTA and periodically conducts Energy Surveys at each Site. Although these manufacturing sites represent a variety of industries, BASF has found success.... The discovery phase is the ?Energy Survey? itself. These Surveys involve plant personnel from various functions within Site operations. BASF applies the Pareto Principle in a variety of fashions: 20% of the operation consumes 80% of the energy, lets focus...

  19. Software Function Allocation Methodology 

    E-Print Network [OSTI]

    O'Neal, Michael Ralph

    1988-01-01

    ABSTRACT Software Function Allocation Methodology. (May 1988) Michael Ralph O'Neal, B. S. , Texas A&M University Chairman of Advisory Committee: Dr. William Lively Modern distributed computer systems are very powerful and useful; they also offer new... software system designers with a thorough and flexible method to allocate software functions among the hardware components of a distributed computer system. Software designers select and rank relevant Design Parameters, analyze how well different...

  20. Electronic Survey Methodology Page 1 Electronic Survey Methodology

    E-Print Network [OSTI]

    Nonnecke, Blair

    Electronic Survey Methodology Page 1 Electronic Survey Methodology: A Case Study in Reaching Hard, Maryland preece@umbc.edu 2002 © Andrews, Nonnecke and Preece #12;Electronic Survey Methodology Page 2 Conducting Research on the Internet: Electronic survey Design, Development and Implementation Guidelines

  1. A Coupled StructuralMagnetic Strain Model for Magnetostrictive Transducers

    E-Print Network [OSTI]

    for generation of strains in smart structure systems motivates the development of increasingly accurate motivated by the need for increased levels of adaptability in smart structure systems. In this paper, we, such transducer systems are capable of providing both actuation, characterized by magnetic­to­elastic energy trans

  2. Mixed Membership Models for Rank Data: Investigating Structure in Irish Voting Data

    E-Print Network [OSTI]

    Wolfe, Patrick J.

    the population. Thus, mixed membership models provide a method for model-based soft clustering of data. The mixed21 Mixed Membership Models for Rank Data: Investigating Structure in Irish Voting Data Isobel ........................................................................ 444 21.3.1 The Plackett-Luce Model for Rank Data ............................................ 445 21

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

    E-Print Network [OSTI]

    Gagliardini, Olivier

    Modelling the mechanical interaction between flowing materials and retaining wire structures Franc Sols Solides Structures, UJF-INPG-CNRS, Grenoble, France Received 10 March 2004; received in revised, design of structural elements may require analysing the mechanical interac- tion between a flowing

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

    E-Print Network [OSTI]

    Giurgiutiu, Victor

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

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    FINITE WAVELET DOMAIN METHOD FOR EFFICIENT MODELING OF LAMB WAVE BASED STRUCTURAL HEALTH MONITORING of innovative Structural Health Monitoring (SHM) methods and systems. Of particular importance is the design European Workshop on Structural Health Monitoring July 8-11, 2014. La Cité, Nantes, France Copyright

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

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

  7. Structural Context of Exons in Protein Domains: Implications for Protein Modelling and Design

    E-Print Network [OSTI]

    Moreira, Bruno Contreras

    Structural Context of Exons in Protein Domains: Implications for Protein Modelling and Design Bruno structures taken from the Protein Data Bank. A first analysis of this set of proteins shows that intron boundaries prefer to be in non-regular secondary structure elements, while avoiding a-helices and b

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

    E-Print Network [OSTI]

    Lee, Jooyoung

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

  9. Cellulose Biodegradation Models; An Example of Cooperative Interactions in Structured Populations

    E-Print Network [OSTI]

    Miroshnikov, Alexey

    Cellulose Biodegradation Models; An Example of Cooperative Interactions in Structured Populations Pierre-Emmanuel Jabin Alexey Miroshnikov Robin Young Abstract We introduce various models for cellulose the structure of the cellulose chains and are allowed to depend on the phenotypical traits of the population

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

    E-Print Network [OSTI]

    Carmona, Rene

    A STRUCTURAL MODEL FOR ELECTRICITY PRICES RENE CARMONA, MICHAEL COULON, AND DANIEL SCHWARZ Abstract. In this paper we propose a new and highly tractable structural approach to spot price modeling and derivative pricing in electricity markets, thus extending the growing branch of liter- ature which describes power

  11. Quantum Structures of a Model-Universe: An Inconsistency with Everett Interpretation of Quantum Mechanics

    E-Print Network [OSTI]

    J. Jeknic-Dugic; M. Dugic; A. Francom

    2013-08-13

    We observe a Quantum Brownian Motion (QBM) Model Universe in conjunction with recently established Entanglement Relativity and Parallel Occurrence of Decoherence. The Parallel Occurrence of Decoherence establishes the simultaneous occurrence of decoherence for two mutually irreducible structures (decomposition into subsystems) of the total QBM model universe. First we find that Everett world branching for one structure excludes branching for the alternate structure and in order to reconcile this situation branching cannot be allowed for either of the structures considered. Second, we observe the non-existence of a third, "emergent structure", that could approximate both structures and also be allowed to branch. Ultimately we find unless world-branching requires additional criteria or conditions, or there is a privileged structure, that we provide a valid model that cannot be properly described by the Everett Interpretation of Quantum Mechanics.

  12. Attachment working models and false recall: a category structure approach 

    E-Print Network [OSTI]

    Wilson, Carol Leigh

    2009-06-02

    Two studies were conducted to test the central hypothesis that internal working models of attachment will influence false memory in a model-congruent pattern. Participants in both studies were first primed with a relationship-specific attachment...

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

    E-Print Network [OSTI]

    Prithiviraj, Manikandan

    1993-01-01

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

  14. A Layered Architecture for Describing Information System Development Methodologies

    E-Print Network [OSTI]

    Han, Jun

    , modelling techniques, life cycle models, notations and tools. Some ISDMs target particular parts cycle. Some include project management and estimation techniques while others focus onlyA Layered Architecture for Describing Information System Development Methodologies P. M. Steele, J

  15. Discovering linguistic structures in speech : models and applications

    E-Print Network [OSTI]

    Lee, Chia-ying (Chia-ying Jackie)

    2014-01-01

    The ability to infer linguistic structures from noisy speech streams seems to be an innate human capability. However, reproducing the same ability in machines has remained a challenging task. In this thesis, we address ...

  16. Conditional Graphical Models for Protein Structural Motif Recognition

    E-Print Network [OSTI]

    Liu, Yan

    Determining protein structures is crucial to understanding the mechanisms of infection and designing drugs. However, the elucidation of protein folds by crystallographic experiments can be a bottleneck in the development ...

  17. Causes and explanations: A structural-model approach

    E-Print Network [OSTI]

    J.Y. Halpern; Judea Pearl

    2011-01-01

    J. Y. and J. Pearl (2000). Causes and expla- nations: AJ. Y. and J. Pearl (2001). Causes and explana- tions: AR-266-UAI June 2001 Causes and Explanations: A Structural-

  18. Spectral/hp Finite Element Models for Fluids and Structures 

    E-Print Network [OSTI]

    Payette, Gregory

    2012-07-16

    for the numerical simulation of the fully geometrically nonlinear mechanical response of isotropic, laminated composite and functionally graded elastic shell structures. In addition, we also present a simple and efficient sparse global finite element coefficient...

  19. A Methodology to Identify Monthly Energy Use Models from Utility Bill Data for Seasonally Scheduled Buildings: Application to K-12 Schools 

    E-Print Network [OSTI]

    Wang, W.; Claridge, D. E.; Reddy, T. A.

    1998-01-01

    The measured energy savings from retrofits in buildings is often determined as the difference between the energy consumption predicted by a baseline model and the measured energy consumption during the post retrofit period. Most baseline models...

  20. A MODEL FOR PHYLOGENETIC INFERENCE USING STRUCTURAL AND CHEMICAL COVARIATES

    E-Print Network [OSTI]

    Naylor, Gavin

    in DNA sequence data was homogeneous across different classes of base pairs. DNA sequences for eight among all genes. A stochastic model of rate variation based on the interaction of the covariates. These results confirm that there are classes of base pairs that evolve differently, and suggest that models

  1. A Model of Electrodiffusion and Osmotic Water Flow and its Energetic Structure

    E-Print Network [OSTI]

    Ciocan-Fontanine, Ionut

    A Model of Electrodiffusion and Osmotic Water Flow and its Energetic Structure Yoichiro Moria 60612, U.S.A. Abstract We introduce a model for ionic electrodiffusion and osmotic water flow through are dissipated through viscous, electrodiffusive and osmotic flows. We discuss limiting models when certain

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

    E-Print Network [OSTI]

    Boyer, Edmond

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

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

    E-Print Network [OSTI]

    Lutchen, Kenneth

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

  4. Structural Informatics, Modeling, and Design with an Open-Source Molecular Software Library (MSL)

    E-Print Network [OSTI]

    Senes, Alessandro

    Structural Informatics, Modeling, and Design with an Open-Source Molecular Software Library (MSL for the design, modeling, and analysis of macromolecules. Among the main features supported by the library coordinates (for modeling) and multiple amino acid identities at the same backbone position (for design

  5. CU-CAS-02-08 CENTER FOR AEROSPACE STRUCTURES Volumetric Constraint Models

    E-Print Network [OSTI]

    Felippa, Carlos A.

    CU-CAS-02-08 CENTER FOR AEROSPACE STRUCTURES Volumetric Constraint Models for Anisotropic Elastic 429 BOULDER, COLORADO 80309 #12;Volumetric Constraint Models for Anisotropic Elastic Solids Carlos A. Conclusion 5 #12;Volumetric Constraint Models for Anisotropic Elastic Solids Carlos A. Felippa and Eugenio O

  6. A polymer model with long-range interactions: analysis and applications to the chromatin structure

    E-Print Network [OSTI]

    Holcman, David

    A polymer model with long-range interactions: analysis and applications to the chromatin structure consists of the DNA and its hierarchy of interact- ing molecules that can be modeled as a complex polymer. To describe the chromatin dynamic, we develop and analyze here a polymer model that accounts for long range

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

    E-Print Network [OSTI]

    Pfeifer, Holger

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

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

    E-Print Network [OSTI]

    Miller, Scott

    the context of a single data management system. The value of this linkage is that it permits developers who. In some mainframe based database management systems, it is possible to define repeating subsets of information as part of a single database file structure. However, few personal computer-based systems have

  9. Modeling Segregation and Grain Structure Development in Equiaxed

    E-Print Network [OSTI]

    Beckermann, Christoph

    grain and at the scale of a casting. The need for much additional researchis emphasized. INTRODUCTION The as-solidified structure of most statically and continuously cast metal alloys features both columnar, improved feed- ing to compensate for shrinkage and less hot cracking, improved surface proper- ties

  10. Computational tools for modeling and measuring chromosome structure

    E-Print Network [OSTI]

    Ross, Brian Christopher

    2012-01-01

    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 ...

  11. Data Collection Handbook to Support Modeling Impacts of Radioactive Material in Soil and Building Structures

    SciTech Connect (OSTI)

    Yu, Charley; Kamboj, Sunita; Wang, Cheng; Cheng, Jing-Jy

    2015-09-01

    This handbook is an update of the 1993 version of the Data Collection Handbook and the Radionuclide Transfer Factors Report to support modeling the impact of radioactive material in soil. Many new parameters have been added to the RESRAD Family of Codes, and new measurement methodologies are available. A detailed review of available parameter databases was conducted in preparation of this new handbook. This handbook is a companion document to the user manuals when using the RESRAD (onsite) and RESRAD-OFFSITE code. It can also be used for RESRAD-BUILD code because some of the building-related parameters are included in this handbook. The RESRAD (onsite) has been developed for implementing U.S. Department of Energy Residual Radioactive Material Guidelines. Hydrogeological, meteorological, geochemical, geometrical (size, area, depth), crops and livestock, human intake, source characteristic, and building characteristic parameters are used in the RESRAD (onsite) code. The RESRAD-OFFSITE code is an extension of the RESRAD (onsite) code and can also model the transport of radionuclides to locations outside the footprint of the primary contamination. This handbook discusses parameter definitions, typical ranges, variations, and measurement methodologies. It also provides references for sources of additional information. Although this handbook was developed primarily to support the application of RESRAD Family of Codes, the discussions and values are valid for use of other pathway analysis models and codes.

  12. ORNL/TM-2008/105 Cost Methodology for Biomass

    E-Print Network [OSTI]

    Pennycook, Steve

    ORNL/TM-2008/105 Cost Methodology for Biomass Feedstocks: Herbaceous Crops and Agricultural Resource and Engineering Systems Environmental Sciences Division COST METHODOLOGY FOR BIOMASS FEESTOCKS ....................................................................................................... 3 2.1.1 Integrated Biomass Supply Analysis and Logistics Model (IBSAL).......................... 6 2

  13. Pipeline ADC Design Methodology

    E-Print Network [OSTI]

    Zhao, Hui

    2012-01-01

    Scaling vs. R. Figure 4.8 Pipeline ADC Structures. Figure2.4 A Pipelined ADC. Figure 3.1 Pipeline ADC Transfer Curve.Modes (b) data latency in pipeline ADC Figure 3.3 Detailed

  14. Corporate sustainability assessment methodology

    E-Print Network [OSTI]

    Pinchuk, Natallia

    2011-01-01

    Sustainability is a vague concept specifically in the context of a corporate world. There are numerous definitions for corporate sustainability and just as many ways of evaluating it. This work attempts to define, structure ...

  15. This Text Has the Scent of Starbucks: A Laplacian Structured Sparsity Model for

    E-Print Network [OSTI]

    Murphy, Robert F.

    This Text Has the Scent of Starbucks: A Laplacian Structured Sparsity Model for Computational. To do this, we collected customer re- views from Starbucks, Dunkin' Donuts, and other coffee shops

  16. Longitudinal Data Analysis Using Multilevel Linear Modeling (MLM): Fitting an Optimal Variance-Covariance Structure 

    E-Print Network [OSTI]

    Lee, Yuan-Hsuan

    2011-10-21

    This dissertation focuses on issues related to fitting an optimal variance-covariance structure in multilevel linear modeling framework with two Monte Carlo simulation studies. In the first study, the author evaluated the ...

  17. Visual Tracking via Adaptive Structural Local Sparse Appearance Model Dalian University of Technology

    E-Print Network [OSTI]

    Yang, Ming-Hsuan

    Visual Tracking via Adaptive Structural Local Sparse Appearance Model Xu Jia Dalian University of Technology jiaxu1986@mail.dlut.edu.cn Huchuan Lu Dalian University of Technology lhchuan@dlut.edu.cn Ming

  18. THE EMERGENT STRUCTURE OF THE DROSOPHILA WING A Dynamic Model Generator

    E-Print Network [OSTI]

    Abate, Alessandro

    THE EMERGENT STRUCTURE OF THE DROSOPHILA WING A Dynamic Model Generator Alberto Silletti Department packing; 2. then, given a movie (a sequence of frames) of the fly wing, correlate the networks generated

  19. Stochastic 3D Modeling of the GDL Structure in PEMFCs Based on Thin Section Detection

    E-Print Network [OSTI]

    Schmidt, Volker

    Stochastic 3D Modeling of the GDL Structure in PEMFCs Based on Thin Section Detection Ralf layer GDL in proton exchange membrane fuel cells PEMFCs based on tools from stochastic geometry. The GDL

  20. CEE 812 Structural Engineering Seminar Series Modeling seismic isolation systems for critical

    E-Print Network [OSTI]

    Kamat, Vineet R.

    hazards. At much smaller scales, seismic qualification criteria for telecommunications equipment involvesCEE 812 ­ Structural Engineering Seminar Series Modeling seismic isolation systems for critical operations. The use of seismic isolation in the protection of these facilities is predicated upon

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

    SciTech Connect (OSTI)

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

    2007-12-10

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

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

    E-Print Network [OSTI]

    Boyer, Edmond

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

  3. Structure functions of the 2d O(n) non-linear sigma models

    E-Print Network [OSTI]

    Janos Balog; Peter Weisz

    2004-09-08

    We investigate structure functions in the 2-dimensional (asymptotically free) non-linear O(n) sigma-models using the non-perturbative S-matrix bootstrap program. In particular the exact small (Bjorken) x behavior is derived. Structure functions in the special case of the n=3 model are accurately computed over the whole x range for $-q^2/M^2functions in the 1/n approximation are also presented.

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

    E-Print Network [OSTI]

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

    1997-06-26

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

  5. An Active and Structural Strain Model for Magnetostrictive Transducers \\Lambda

    E-Print Network [OSTI]

    Flatau, Alison B.

    by a magnetic bias generated by either the surrounding permanent magnet or an applied DC current to the solenoid consider the modeling of strains generated by magnetostrictive materials in response to applied magnetic magnetic fields and (ii) the application of magnetic fields generates large strains in the material

  6. An Active and Structural Strain Model for Magnetostrictive Transducers

    E-Print Network [OSTI]

    by a magnetic bias generated by either the surrounding permanent magnet or an applied DC current to the solenoid the modeling of strains generated by magnetostrictive materials in response to applied magnetic fields magnetic fields and (ii) the application of magnetic fields generates large strains in the material

  7. An Active and Structural Strain Model for Magnetostrictive Transducers

    E-Print Network [OSTI]

    Flatau, Alison B.

    the modeling of strains generated by magnetostrictive materials in response to applied magnetic elds magnetic elds and ii the application of magnetic elds generates large strains in the material. By utilizing magnetostrictive rod, a wound wire solenoid, an enclosing permanent magnet and a prestress mechanism. The rod

  8. A structured performance modelling formalism Stephen Gilmore1

    E-Print Network [OSTI]

    Gilmore, Stephen

    ]). The combination of stochastic Petri nets with queueing networks in particular has been a source of inspiration's Dynamic Queueing Networks [12]. An extension of (non-stochastic) Petri nets which provides modelling language for labelled stochas- tic Petri nets. Viewed in another way, the net is used to provide

  9. Health Dialog Systems Methodological Review 1 Methodological Review

    E-Print Network [OSTI]

    Bickmore, Timothy

    Health Dialog Systems Methodological Review 1 Methodological Review: Health Dialog Systems special issue on Dialog Systems for Health Communication Corresponding author: Timothy W. Bickmore, Massachusetts 02115 bickmore@ccs.neu.edu Phone: (617) 373-5477 FAX: 617-812-2589 #12;Health Dialog Systems

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

    E-Print Network [OSTI]

    Pennycook, Steve

    Structural model for the Al72Ni20Co8 decagonal quasicrystals Yanfa Yan National Renewable Energy, Oak Ridge, Tennessee 37831 Received 15 February 2000 We propose a structure model for the Al72Ni20Co8 structural models have been proposed for de- cagonal quasicrystals based upon x-ray and neutron diffrac- tion

  11. Modelling the Structure and Dynamics of Science Using Books

    E-Print Network [OSTI]

    Ginda, Michael; Borner, Katy

    2015-01-01

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

  12. Developmental of a Vapor Cloud Explosion Risk Analysis Tool Using Exceedance Methodology 

    E-Print Network [OSTI]

    Alghamdi, Salem

    2012-10-19

    to buildings based on exceedance methodology. This methodology was developed in a computer program which is used to support this thesis. The proposed model considers all possible gas release scenarios through the use of the Monte Carlo simulation. The risk...

  13. A Calibration Methodology for Retrofit Projects Using Short-Term Monitoring and Disaggregated Energy Use Data 

    E-Print Network [OSTI]

    Soebarto, V. I.; Degelman, L. O.

    1996-01-01

    This paper presents an improved methodology to calibrate energy simulation models to better represent the actual energy use breakdowns in existing buildings. The goal of this methodology is to help architects and engineers accurately determine...

  14. Waste Package Design Methodology Report

    SciTech Connect (OSTI)

    D.A. Brownson

    2001-09-28

    The objective of this report is to describe the analytical methods and processes used by the Waste Package Design Section to establish the integrity of the various waste package designs, the emplacement pallet, and the drip shield. The scope of this report shall be the methodology used in criticality, risk-informed, shielding, source term, structural, and thermal analyses. The basic features and appropriateness of the methods are illustrated, and the processes are defined whereby input values and assumptions flow through the application of those methods to obtain designs that ensure defense-in-depth as well as satisfy requirements on system performance. Such requirements include those imposed by federal regulation, from both the U.S. Department of Energy (DOE) and U.S. Nuclear Regulatory Commission (NRC), and those imposed by the Yucca Mountain Project to meet repository performance goals. The report is to be used, in part, to describe the waste package design methods and techniques to be used for producing input to the License Application Report.

  15. Reflood completion report: Volume 1. A phenomenological thermal-hydraulic model of hot rod bundles experiencing simultaneous bottom and top quenching and an optimization methodology for closure development

    SciTech Connect (OSTI)

    Nelson, R.A. Jr.; Pimentel, D.A.; Jolly-Woodruff, S.; Spore, J.

    1998-04-01

    In this report, a phenomenological model of simultaneous bottom-up and top-down quenching is developed and discussed. The model was implemented in the TRAC-PF1/MOD2 computer code. Two sets of closure relationships were compared within the study, the Absolute set and the Conditional set. The Absolute set of correlations is frequently viewed as the pure set because the correlations is frequently viewed as the pure set because the correlations utilize their original coefficients as suggested by the developer. The Conditional set is a modified set of correlations with changes to the correlation coefficient only. Results for these two sets indicate quite similar results. This report also summarizes initial results of an effort to investigate nonlinear optimization techniques applied to the closure model development. Results suggest that such techniques can provide advantages for future model development work, but that extensive expertise is required to utilize such techniques (i.e., the model developer must fully understand both the physics of the process being represented and the computational techniques being employed). The computer may then be used to improve the correlation of computational results with experiments.

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

    SciTech Connect (OSTI)

    Pan, Andrew; Chui, Chi On

    2014-08-07

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

  17. Discovering Block-Structured Process Models From Event Logs -A Constructive Approach

    E-Print Network [OSTI]

    van der Aalst, Wil

    Discovering Block-Structured Process Models From Event Logs - A Constructive Approach S University of Technology, P.O. Box 513, NL-5600 MB, Eindhoven, The Netherlands Abstract Process discovery is the problem of, given a log of observed behaviour, finding a process model that `best' describes

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

    E-Print Network [OSTI]

    Gedeon, Tomas

    and other interventions that focus on reducing the transmission of antimicrobial-resistant bacteria betweenSenescence and antibiotic resistance in an age-structured population model Patrick De Leenheer Jack the growing problem of antibiotic resistance of microbial populations. Here we investigate a model

  19. Behavior-Based Methods for Modeling and Structuring Control of Social Robots

    E-Print Network [OSTI]

    Mataric, Maja J.

    -to-end validation of social theories that deal with self-referential notions and require validation. A centralBehavior-Based Methods for Modeling and Structuring Control of Social Robots Dylan A. Shell social biological systems. A working robotic imple- mentation based on a biologically plausible model

  20. FILAMENT CHANNEL STRUCTURES IN A Si IV LINE RELATED TO A 3D MAGNETIC MODEL

    E-Print Network [OSTI]

    Aulanier, Guillaume

    FILAMENT CHANNEL STRUCTURES IN A Si IV LINE RELATED TO A 3D MAGNETIC MODEL T. A. KUCERA1,, G. A recent 3D magnetic model of filament support (Aulanier and Démoulin, 1998) has shown that specific of a filament observed in H and Ca II lines with the German telescope VTT in Tenerife on 25 September 1996

  1. Filament-Level Modeling of Aramid-Based High-Performance Structural Materials

    E-Print Network [OSTI]

    Grujicic, Mica

    Filament-Level Modeling of Aramid-Based High-Performance Structural Materials M. Grujicic, W/ filaments. These fibers can be considered as prototypes for advanced high strength/high-stiffness fibers to be most affected by the presence of sheet stacking faults. Keywords filament-level modeling, Kevlar

  2. Identification of Factors Causing Heterogeneous Within-Herd Variance Components Using a Structural Model for Variances

    E-Print Network [OSTI]

    Yandell, Brian S.

    be computationally feasible on a na- tional basis. For this study, a structural log-linear model for sire models for genetic evaluation of dairy cattle assume that genetic and residual components of variance and conformation traits, which can reduce accuracy of selection and cause biases in the proportions of breeding

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

    E-Print Network [OSTI]

    Carmona, Rene

    A SURVEY OF COMMODITY MARKETS AND STRUCTURAL MODELS FOR ELECTRICITY PRICES RENE CARMONA AND MICHAEL and the methods which have been proposed to handle them in spot and forward price models. We devote special focus on the important role of other energy prices and fundamental factors in setting the power price

  4. Characterization of Interfacial Structure in PEFCs: Water Storage and Contact Resistance Model

    E-Print Network [OSTI]

    Mench, Matthew M.

    Characterization of Interfacial Structure in PEFCs: Water Storage and Contact Resistance Model PEFC . The model utilizes experimentally measured surface profile data as input. Results indicate that the uncompressed surface morphology of mating materials, the elasticity of PEFC components, and the local

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

    E-Print Network [OSTI]

    Shirai, Kiyoaki

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

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

    E-Print Network [OSTI]

    Istrail, Sorin

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

  7. Complete Structural Model of Escherichia coli RNA Polymerase from a Hybrid Approach

    SciTech Connect (OSTI)

    Opalka, N.; Brown, J; Lane, W; Twist, K; Landick, R; Asturias, F; Darst, S

    2010-01-01

    The Escherichia coli transcription system is the best characterized from a biochemical and genetic point of view and has served as a model system. Nevertheless, a molecular understanding of the details of E. coli transcription and its regulation, and therefore its full exploitation as a model system, has been hampered by the absence of high-resolution structural information on E. coli RNA polymerase (RNAP). We use a combination of approaches, including high-resolution X-ray crystallography, ab initio structural prediction, homology modeling, and single-particle cryo-electron microscopy, to generate complete atomic models of E. coli core RNAP and an E. coli RNAP ternary elongation complex. The detailed and comprehensive structural descriptions can be used to help interpret previous biochemical and genetic data in a new light and provide a structural framework for designing experiments to understand the function of the E. coli lineage-specific insertions and their role in the E. coli transcription program. Transcription, or the synthesis of RNA from DNA, is one of the most important processes in the cell. The central enzyme of transcription is the DNA-dependent RNA polymerase (RNAP), a large, macromolecular assembly consisting of at least five subunits. Historically, much of our fundamental information on the process of transcription has come from genetic and biochemical studies of RNAP from the model bacterium Escherichia coli. More recently, major breakthroughs in our understanding of the mechanism of action of RNAP have come from high resolution crystal structures of various bacterial, archaebacterial, and eukaryotic enzymes. However, all of our high-resolution bacterial RNAP structures are of enzymes from the thermophiles Thermus aquaticus or T. thermophilus, organisms with poorly characterized transcription systems. It has thus far proven impossible to obtain a high-resolution structure of E. coli RNAP, which has made it difficult to relate the large collection of genetic and biochemical data on RNAP function directly to the available structural information. Here, we used a combination of approaches - high-resolution X-ray crystallography of E. coli RNAP fragments, ab initio structure prediction, homology modeling, and single-particle cryo-electron microscopy - to generate complete atomic models of E. coli RNAP. Our detailed and comprehensive structural models provide the heretofore missing structural framework for understanding the function of the highly characterized E. coli RNAP.

  8. A Methodology for Evaluating Liquefaction Susceptibility in Shallow Sandy Slopes

    E-Print Network [OSTI]

    Buscarnera, Giuseppe

    This paper illustrates a modeling approach for evaluating the liquefaction susceptibility of shallow sandy slopes. The methodology is based on a theoretical framework for capturing undrained bifurcation in saturated granular ...

  9. A Quasi-Dynamic HVAC and Building Simulation Methodology 

    E-Print Network [OSTI]

    Davis, Clinton Paul

    2012-07-16

    This thesis introduces a quasi-dynamic building simulation methodology which complements existing building simulators by allowing transient models of HVAC (heating, ventilating and air-conditioning) systems to be created in an analogous way...

  10. Boston,MassachusettsUSA* April2428,1994 HumanFactorsinComputingSysfems A Validation of the GOMS Model Methodology in the

    E-Print Network [OSTI]

    Kieras, David E.

    Center for Ergonomics The University of Michigan 1205 Beal Ave. Ann Arbor, MI 48109-2117 rich.gong @ um.cc.umich.edu A formal GOMS model approach was applied to the design and evaluation of the user interface in execution time during a formal evaluation, differences predicted by the GOMS analysis. Corrections

  11. A Self-Consistent Charge-Embedding Methodology for ab initio Qantum Chemical Custer Modeling of Ionic Solids and Surfaces: Application to the (001) Surface of Hematite

    SciTech Connect (OSTI)

    Batista, Enrique; Friesner, Richard A.

    2002-07-16

    To ab initio simulate an ionic crystal using a cluster of atoms, one must surround that cluster with point charges. These point charges add the effect of the electrostatic potential of the rest of the crystal on the electronic structure of the quantum cluster. The value of the point charges has to be chosen to reproduce the crystal field in the region of the cluster. In this work, a method to compute the necessary point charges is presented. The algorithm to choose the point charges is an extension of the one presented by Derenzo et al. [J. Chem. Phys. 2000, 112, 2074]. The method consists of a self-consistent loop, fitting in each iteration the value of the point charges to reproduce the electrostatic field, calculated from the quantum simulation, in the region of the cluster. This method was then applied to the study of the (001) basal surface of hematite, R-Fe2O3. As the cluster size is systematically increased, it is shown that to fully converge the electrostatic effect on the electronic structure of the cluster, clusters of the order of 60 atoms are necessary. As a convergence parameter for the cluster to the bulk behavior, we used the ionization energy of the cluster. In the limit of an infinite cluster, we obtained the work function of hematite to be 5.6 eV.

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

    SciTech Connect (OSTI)

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

    2008-01-01

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

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

    SciTech Connect (OSTI)

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

    2007-04-29

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

  14. Folding Proteins with Both Alpha and Beta Structures in a Reduced Model

    E-Print Network [OSTI]

    Nan-yow Chen

    2006-07-17

    A reduced model, which can fold both helix and sheet structures, is proposed to study the problem of protein folding. The goal of this model is to find an unbiased effective potential that has included the effects of water and at the same time can predict the three dimensional structure of a protein with a given sequence in reasonable time. For this purpose, rather than focusing on the real folding dynamics or full structural details at the atomic scale, we adopt the Monte Carlo method and the coarse-grained representation of the protein in which both side-chains and the backbones are replaced by suitable geometrical objects in consistent with the known structure. On top of the coarse-grained representation, our effective potential can be developed. Two new interactions, the dipole-dipole interactions and the local hydrophobic interactions, are introduced and are shown to be as crucial as the hydrogen bonds for forming the secondary structures. In particular, for the first time, we demonstrate that the resulting reduced model can successfully fold proteins with both helix and sheet structures without using any biased potential. Further analyses show that this model can also fold other proteins in reasonable accuracy and thus provides a promising starting point for the problem of protein folding.

  15. Stellar and Gaseous Disk Structures in Cosmological Galaxy Equilibrium Models

    E-Print Network [OSTI]

    Rathaus, Ben

    2015-01-01

    We present "radially-resolved-equilibrium-models" for the growth of stellar and gaseous disks in cosmologically accreting massive halos. Our focus is on objects that evolve to redshifts $z\\sim 2$. We solve the time-dependent equations that govern the radially dependent star-formation rates, inflows and outflows from and to the inter- and circum-galactic medium, and inward radial gas flows within the disks. The stellar and gaseous disks reach equilibrium configurations on dynamical time scales much shorter than variations in the cosmological dark matter halo growth and baryonic accretions rates. We show analytically that mass and global angular momentum conservation naturally give rise to exponential gas and stellar disks over many radial length scales. The gaseous disks are more extended as set by the condition Toomre $Q<1$ for star-formation. The disks rapidly become baryon dominated. For massive, $5\\times 10^{12}M_\\odot$ halos at redshift $z=2$, we reproduced the typical observed star-formation rates of ...

  16. Target Allocation Methodology for China's Provinces: Energy Intensity in the 12th FIve-Year Plan

    SciTech Connect (OSTI)

    Ohshita, Stephanie; Price, Lynn

    2011-03-21

    Experience with China's 20% energy intensity improvement target during the 11th Five-Year Plan (FYP) (2006-2010) has shown the challenges of rapidly setting targets and implementing measures to meet them. For the 12th FYP (2011-2015), there is an urgent need for a more scientific methodology to allocate targets among the provinces and to track physical and economic indicators of energy and carbon saving progress. This report provides a sectoral methodology for allocating a national energy intensity target - expressed as percent change in energy per unit gross domestic product (GDP) - among China's provinces in the 12th FYP. Drawing on international experience - especially the European Union (EU) Triptych approach for allocating Kyoto carbon targets among EU member states - the methodology here makes important modifications to the EU approach to address an energy intensity rather than a CO{sub 2} emissions target, and for the wider variation in provincial energy and economic structure in China. The methodology combines top-down national target projections and bottom-up provincial and sectoral projections of energy and GDP to determine target allocation of energy intensity targets. Total primary energy consumption is separated into three end-use sectors - industrial, residential, and other energy. Sectoral indicators are used to differentiate the potential for energy saving among the provinces. This sectoral methodology is utilized to allocate provincial-level targets for a national target of 20% energy intensity improvement during the 12th FYP; the official target is determined by the National Development and Reform Commission. Energy and GDP projections used in the allocations were compared with other models, and several allocation scenarios were run to test sensitivity. The resulting allocations for the 12th FYP offer insight on past performance and offer somewhat different distributions of provincial targets compared to the 11th FYP. Recommendations for reporting and monitoring progress on the targets, and methodology improvements, are included.

  17. Multidiscipline Modeling in Materials and Structures Multi-physics modeling and simulations of reactive melt infiltration process used

    E-Print Network [OSTI]

    Grujicic, Mica

    of reactive melt infiltration process used in fabrication of ceramic-matrix composites (CMCs) Mica Grujicic in fabrication of ceramic-matrix composites (CMCs)", Multidiscipline Modeling in Materials and Structures, Vol used in fabrication of ceramic-matrix composites (CMCs) Mica Grujicic, Rohan Galgalikar, S. Ramaswami

  18. Vibration-based health monitoring and model refinement of civil engineering structures

    SciTech Connect (OSTI)

    Farrar, C.R.; Doebling, S.W.

    1997-10-01

    Damage or fault detection, as determined by changes in the dynamic properties of structures, is a subject that has received considerable attention in the technical literature beginning approximately 30 years ago. The basic idea is that changes in the structure`s properties, primarily stiffness, will alter the dynamic properties of the structure such as resonant frequencies and mode shapes, and properties derived from these quantities such as modal-based flexibility. Recently, this technology has been investigated for applications to health monitoring of large civil engineering structures. This presentation will discuss such a study undertaken by engineers from New Mexico Sate University, Sandia National Laboratory and Los Alamos National Laboratory. Experimental modal analyses were performed in an undamaged interstate highway bridge and immediately after four successively more severe damage cases were inflicted in the main girder of the structure. Results of these tests provide insight into the abilities of modal-based damage ID methods to identify damage and the current limitations of this technology. Closely related topics that will be discussed are the use of modal properties to validate computer models of the structure, the use of these computer models in the damage detection process, and the general lack of experimental investigation of large civil engineering structures.

  19. Some thoughts on the use of InSAR data to constrain models of surface deformation: Noise structure and data

    E-Print Network [OSTI]

    Simons, Mark

    Some thoughts on the use of InSAR data to constrain models of surface deformation: Noise structure models of surface deformation: Noise structure and data downsampling, Geochem. Geophys. Geosyst., 6, Q of data points. Here we estimate the actual covariance structure of noise in InSAR data. We compare

  20. Computational modeling of structure of metal matrix composite in centrifugal casting process

    SciTech Connect (OSTI)

    Zagorski, Roman [Department of Electrotechnology, Faculty of Materials Science and Metallurgy, Silesian University of Technology, ul. Krasinskiego 8, 40-019, Katowice (Poland)

    2007-04-07

    The structure of alumina matrix composite reinforced with crystalline particles obtained during centrifugal casting process are studied. Several parameters of cast process like pouring temperature, temperature, rotating speed and size of casting mould which influent on structure of composite are examined. Segregation of crystalline particles depended on other factors such as: the gradient of density of the liquid matrix and reinforcement, thermal processes connected with solidifying of the cast, processes leading to changes in physical and structural properties of liquid composite are also investigated. All simulation are carried out by CFD program Fluent. Numerical simulations are performed using the FLUENT two-phase free surface (air and matrix) unsteady flow model (volume of fluid model - VOF) and discrete phase model (DPM)

  1. Data development technical support document for the aircraft crash risk analysis methodology (ACRAM) standard

    SciTech Connect (OSTI)

    Kimura, C.Y.; Glaser, R.E.; Mensing, R.W.; Lin, T.; Haley, T.A.; Barto, A.B.; Stutzke, M.A.

    1996-08-01

    The Aircraft Crash Risk Analysis Methodology (ACRAM) Panel has been formed by the US Department of Energy Office of Defense Programs (DOE/DP) for the purpose of developing a standard methodology for determining the risk from aircraft crashes onto DOE ground facilities. In order to accomplish this goal, the ACRAM panel has been divided into four teams, the data development team, the model evaluation team, the structural analysis team, and the consequence team. Each team, consisting of at least one member of the ACRAM plus additional DOE and DOE contractor personnel, specializes in the development of the methodology assigned to that team. This report documents the work performed by the data development team and provides the technical basis for the data used by the ACRAM Standard for determining the aircraft crash frequency. This report should be used to provide the generic data needed to calculate the aircraft crash frequency into the facility under consideration as part of the process for determining the aircraft crash risk to ground facilities as given by the DOE Standard Aircraft Crash Risk Assessment Methodology (ACRAM). Some broad guidance is presented on how to obtain the needed site-specific and facility specific data but this data is not provided by this document.

  2. Enhancing Tropos with Commitments A Business Metamodel and Methodology

    E-Print Network [OSTI]

    for business modeling are either high-level and semiformal or formal but low-level. Thus they fail to support flexible but rigorous modeling and enactment of business processes. This paper begins from the well and a methodology for specifying a business model. This paper includes an insurance industry case study that several

  3. Model Close Match as a Criterion for Structured Model Comparison and Its Robust Statistical Tests

    E-Print Network [OSTI]

    Li, Libo; Bentler, Peter M

    2006-01-01

    Model Selection. Manuscript. Curran, P. J. , Bollen, K. A. ,316. Bollen, K. A. , & Curran, P. J. (2006). Latent Curveare given by Bollen and Curran (2006), Byrne (2006), Hays,

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

    E-Print Network [OSTI]

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

    2007-03-23

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

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

    E-Print Network [OSTI]

    Spencer Jr., Billie F.

    index for the safety assessment of concrete dams and is predicted through dynamic model failure tests INTRODUCTION A great number of high dams will be built in highly seismic areas, the safety evaluation 116024, China ABSTRACT: For the earthquake safety evaluation of dam structures, it is desirable to extend

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

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

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

    E-Print Network [OSTI]

    Cerveny, Vlastislav

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

  8. On 3D modeling of seismic wave propagation via a structured ...

    E-Print Network [OSTI]

    2011-07-27

    In many problems following the discretization of linear par- tial differential ... ods to mitigate its nonlinear nature. The Helmholtz- .... based on certain sparse matrix techniques and structured ma- ..... tain power of 2. .... Upper left: partial SEAM velocity model; upper right: 7.5Hz time-harmonic wavefield with quality factor Q =.

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

    E-Print Network [OSTI]

    Chang, Grace C.

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

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

    E-Print Network [OSTI]

    Guidoni, Leonardo

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

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

    E-Print Network [OSTI]

    Zilic, Zeljko

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

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

    E-Print Network [OSTI]

    Boyer, Edmond

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

  13. Multi-scale modelling of III-nitrides: from dislocations to the electronic structure

    E-Print Network [OSTI]

    Holec, David

    level modelling for the case of the critical thickness of thin epitaxial layers, and covers some issues of simulating the electronic structure of III-nitride alloys by means of the first principle methods. The first part of this work discusses several...

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

    E-Print Network [OSTI]

    Carbonell, Jaime

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

  15. Folding Trp-Cage to NMR Resolution Native Structure Using a Coarse-Grained Protein Model

    E-Print Network [OSTI]

    Buldyrev, Sergey

    Folding Trp-Cage to NMR Resolution Native Structure Using a Coarse-Grained Protein Model Feng Ding molecular dynamics folding simulations of a small 20-residue protein--Trp-cage--from a fully extended is not necessary to reach the native state of a protein. Our results also suggest that the success of folding Trp

  16. Finite element modeling of long-term fluid-structure interaction problems in geological media

    SciTech Connect (OSTI)

    Anderson, C.A.

    1980-01-01

    A model is developed to predict long-term thermal creep and creep rupture in geological structures under multiaxial stress states and under elevated temperature conditions. An example of the method is given showing the behavior of the crust and mantle while undergoing intrusion by a low density diaper. (ACR)

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

    E-Print Network [OSTI]

    Jones, Simon Peyton

    Pictures: A simple structured graphics model Sigbjorn Finne and Simon Peyton Jones, Department, or pictures, are represented as values that functions can manipu­ late and inspect to create new values. Complete pictures are constructed by repeatedly composing such picture values together using picture com

  18. VERTICALLY INHOMOGENEOUS MODELS OF THE UPPER CRUSTAL STRUCTURE IN THE WEST-BOHEMIAN SEISMOACTIVE

    E-Print Network [OSTI]

    Cerveny, Vlastislav

    VERTICALLY INHOMOGENEOUS MODELS OF THE UPPER CRUSTAL STRUCTURE IN THE WEST-BOHEMIAN SEISMOACTIVE in the year 2000, three profiles traversed the region of earthquake swarms in West- Bohemia/Vogtland. The shots were also recorded at the permanent stations of the local seismic networks. The travel times of P

  19. Structuring Risk in E-Government Development Projects Using a Causal Model Abdullah Al-Shehab

    E-Print Network [OSTI]

    Winstanley, Graham

    Structuring Risk in E-Government Development Projects Using a Causal Model Abdullah Al-Shehab 1 projects is minimal compared with traditional Information System (IS) development projects. The success projects, and this research uses a similar approach applied in E-Gov development projects. This experiment

  20. Relative energetics and structural properties of zirconia using a self-consistent tight-binding model

    E-Print Network [OSTI]

    Paxton, Anthony T.

    Relative energetics and structural properties of zirconia using a self-consistent tight We describe an empirical, self-consistent, orthogonal tight-binding model for zirconia, which allows orders the zero temperature energies of all zirconia polymorphs. The Zr-O matrix elements

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

    E-Print Network [OSTI]

    Vajda, Sandor

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

  2. A conceptual model for the origin of fault damage zone structures in high-porosity sandstone

    E-Print Network [OSTI]

    Cowie, Patience

    A conceptual model for the origin of fault damage zone structures in high-porosity sandstone Zoe K-porosity sandstones. Damage zone deformation has been particularly well constrained for two 4-km-long normal faults formed in the Navajo Sandstone of central Utah, USA. For these faults the width of the damage zone

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

    E-Print Network [OSTI]

    H. Gausterer; C. B. Lang

    1993-11-19

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

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

    E-Print Network [OSTI]

    Barthelat, Francois

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

  5. Microscopic model for intersubband gain from electrically pumped quantum-dot structures

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

    Michael, Stephan; Chow, Weng Wah; Schneider, Han Christian

    2014-10-03

    We study theoretically the performance of electrically pumped self-organized quantum dots as a gain material in the mid-IR range at room temperature. We analyze an AlGaAs/InGaAs based structure composed of dots-in-a-well sandwiched between two quantum wells. We numerically analyze a comprehensive model by combining a many-particle approach for electronic dynamics with a realistic modeling of the electronic states in the whole structure. We investigate the gain both for quasi-equilibrium conditions and current injection. Comparing different structures, we find that steady-state gain can only be realized by an efficient extraction process, which prevents an accumulation of electrons in continuum states, thatmore »make the available scattering pathways through the quantum dot active region too fast to sustain inversion.« less

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

    SciTech Connect (OSTI)

    Yunovich, M.; Thompson, N.G.

    1998-12-31

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

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

    SciTech Connect (OSTI)

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

    2015-01-01

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

  8. Bifurcation structures and transient chaos in a four-dimensional Chua model

    E-Print Network [OSTI]

    Anderson Hoff; Denilson T. da Silva; Cesar Manchein; Holokx A. Albuquerque

    2013-12-06

    A four-dimensional four-parameter Chua model with cubic nonlinearity is studied applying numerical continuation and numerical solutions methods. Regarding numerical solution methods, its dynamics is characterized on Lyapunov and isoperiodic diagrams and regarding numerical continuation method, the bifurcation curves are obtained. Combining both methods the bifurcation structures of the model were obtained with the possibility to describe the {\\it shrimp}-shaped domains and their endoskeletons. We study the effect of a parameter that controls the dimension of the system leading the model to present transient chaos with its corresponding basin of attraction being riddled.

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

    E-Print Network [OSTI]

    Yang, Fan

    2009-05-15

    , 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 TiO 2 (110) have been used to model supported Au catalysts. Our... STM studies in UHV reveal surface structures of TiO 2 (110) and show undercoordinated Ti cations play a critical role in the nucleation and stabilization of Au clusters on TiO 2 (110). Exposing the TiO 2 (110) surface to water vapor causes...

  10. Macroscale modeling and mesoscale observations of plasma density structures in the polar cap

    SciTech Connect (OSTI)

    Basu, S. [Phillips Lab., Hanscom Air Force Base, MA (United States)] [Phillips Lab., Hanscom Air Force Base, MA (United States); Basu, S. [National Science Foundation, Arlington, VA (United States)] [National Science Foundation, Arlington, VA (United States); Sojka, J.J. [Utah State Univ., Logan, UT (United States)] [and others] [Utah State Univ., Logan, UT (United States); and others

    1995-04-15

    The seasonal and UT variation of mesoscale structures (10 km - 100 m) in the central polar cap has been obtained from an analysis of 250-MHz intensity scintillation observations made at Thule, Greenland. It has been established earlier that mesoscale structures causing scintillations of satellite signals may develop at the edges of macroscale structures (several hundred km) such as discrete polar cap plasma density enhancements or patches through the gradient drift instability process. As such, the authors examined the seasonal and UT variation of polar cap patches simulated by using the USU Time Dependent Ionospheric Model (TDIM) under conditions of southward B{sub z}. A fairly remarkable similarity is found between the scintillation observations and the model predictions of patch occurrence. For instance, both the patch and scintillation occurrences are minimized during the winter solstice (northern hemisphere) between 0800-1200 UT while also having their largest seasonal intensity between 2000-2400 UT. Little UT dependence of patches and scintillations is seen at equinox with high intensity being observed throughout the day, while during local summer the intensity of macroscale patches and mesoscale irregularities are found to be a minimum at all UT. These results indicate that macroscale features in the polar cap are routinely associated with plasma instabilities giving rise to smaller scale structures and that the specific patch formation mechanism assumed in the simulation is consistent with the observations. This ability to bridge between macroscale modeling and mesoscale observations provides a natural framework for the modeling of mesoscale structures themselves. This mesoscale modeling, in turn, can be utilized in a variety of radar and communication systems applications in the polar region. 25 refs., 3 figs.

  11. Introducing improved structural properties and salt dependence into a coarse-grained model of DNA

    SciTech Connect (OSTI)

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

    2015-06-21

    We introduce an extended version of oxDNA, a coarse-grained model of deoxyribonucleic acid (DNA) designed to capture the thermodynamic, structural, and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves and by slightly modifying the coaxial stacking and backbone-backbone interactions, we improve the ability of the model to treat large (kilobase-pair) structures, such as DNA origami, which are sensitive to these geometric features. Further, we extend the model, which was previously parameterised to just one salt concentration ([Na{sup +}] = 0.5M), so that it can be used for a range of salt concentrations including those corresponding to physiological conditions. Finally, we use new experimental data to parameterise the oxDNA potential so that consecutive adenine bases stack with a different strength to consecutive thymine bases, a feature which allows a more accurate treatment of systems where the flexibility of single-stranded regions is important. We illustrate the new possibilities opened up by the updated model, oxDNA2, by presenting results from simulations of the structure of large DNA objects and by using the model to investigate some salt-dependent properties of DNA.

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

    E-Print Network [OSTI]

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

    2015-05-19

    We introduce an extended version of oxDNA, a coarse-grained model of DNA designed to capture the thermodynamic, structural and mechanical properties of single- and double-stranded DNA. By including explicit major and minor grooves, and by slightly modifying the coaxial stacking and backbone-backbone interactions, we improve the ability of the model to treat large (kilobase-pair) structures such as DNA origami which are sensitive to these geometric features. Further, we extend the model, which was previously parameterised to just one salt concentration ([Na$^+$]=0.5M), so that it can be used for a range of salt concentrations including those corresponding to physiological conditions. Finally, we use new experimental data to parameterise the oxDNA potential so that consecutive adenine bases stack with a different strength to consecutive thymine bases, a feature which allows a more accurate treatment of systems where the flexibility of single-stranded regions is important. We illustrate the new possibilities opened up by the updated model, oxDNA2, by presenting results from simulations of the structure of large DNA objects and by using the model to investigate some salt-dependent properties of DNA.

  13. A multiobjective, multidisciplinary design optimization methodology for the conceptual design of distributed satellite systems

    E-Print Network [OSTI]

    Jilla, Cyrus D., 1974-

    2002-01-01

    A multiobjective, multidisciplinary design optimization methodology for mathematically modeling the distributed satellite system (DSS) conceptual design problem as an optimization problem has been developed to advance the ...

  14. Surface structural ion adsorption modeling of competitive binding of oxyanions by metal (hydr)oxides

    SciTech Connect (OSTI)

    Hiemstra, T.; Riemsdijk, W.H. van

    1999-02-01

    An important challenge in surface complexation models (SCM) is to connect the molecular microscopic reality to macroscopic adsorption phenomena. This study elucidates the primary factor controlling the adsorption process by analyzing the adsorption and competition of PO{sub 4}, AsO{sub 4}, and SeO{sub 3}. The authors show that the structure of the surface-complex acting in the dominant electrostatic field can be ascertained as the primary controlling adsorption factor. The surface species of arsenate are identical with those of phosphate and the adsorption behavior is very similar. On the basis of the selenite adsorption, The authors show that the commonly used 1pK models are incapable to incorporate in the adsorption modeling the correct bidentate binding mechanism found by spectroscopy. The use of the bidentate mechanism leads to a proton-oxyanion ratio and corresponding pH dependence that are too large. The inappropriate intrinsic charge attribution to the primary surface groups and the condensation of the inner sphere surface complex to a point charge are responsible for this behavior of commonly used 2pK models. Both key factors are differently defined in the charge distributed multi-site complexation (CD-MUSIC) model and are based in this model on a surface structural approach. The CD-MUSIC model can successfully describe the macroscopic adsorption phenomena using the surface speciation and binding mechanisms as found by spectroscopy. The model is also able to predict the anion competition well. The charge distribution in the interface is in agreement with the observed structure of surface complexes.

  15. An examination of the construct validity of predictors of productive and counterproductive job performance using structural equation modeling 

    E-Print Network [OSTI]

    Tice, Julie Anne Goodwin

    1996-01-01

    This research used structural equation modeling to test the construct validity of measures I I ion, and work of four global constructs: trait socialization, self-concept, organizational socialization' concept. Using measurement model procedures...

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

    SciTech Connect (OSTI)

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

    2010-02-23

    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.

  17. Modeling Methodology for Elastomer Dynamics \\Lambda

    E-Print Network [OSTI]

    ­like materials assume a form of the strain energy func­ tion (SEF), such as a cubic Mooney­Rivlin form, could be used in products such as active vibration suppression devices. As these new composite materials: As engineering applications of elastomers increase in com­ plexity, knowledge of the behavior of these materials

  18. Understanding Change Models, Methodologies, and Metaphors

    E-Print Network [OSTI]

    Gadagkar, Raghavendra

    of individuals. Each colony consists of a single queen, a small number of males (drones) while the rest of the colony consists of nearly sterile female worker bees. Because the drones do not contribute to colony

  19. The large-scale structure of semantic networks: statistical analyses and a model for semantic growth

    E-Print Network [OSTI]

    Mark Steyvers; Joshua B. Tenenbaum

    2001-10-01

    We present statistical analyses of the large-scale structure of three types of semantic networks: word associations, WordNet, and Roget's thesaurus. We show that they have a small-world structure, characterized by sparse connectivity, short average path-lengths between words, and strong local clustering. In addition, the distributions of the number of connections follow power laws that indicate a scale-free pattern of connectivity, with most nodes having relatively few connections joined together through a small number of hubs with many connections. These regularities have also been found in certain other complex natural networks, such as the world wide web, but they are not consistent with many conventional models of semantic organization, based on inheritance hierarchies, arbitrarily structured networks, or high-dimensional vector spaces. We propose that these structures reflect the mechanisms by which semantic networks grow. We describe a simple model for semantic growth, in which each new word or concept is connected to an existing network by differentiating the connectivity pattern of an existing node. This model generates appropriate small-world statistics and power-law connectivity distributions, and also suggests one possible mechanistic basis for the effects of learning history variables (age-of-acquisition, usage frequency) on behavioral performance in semantic processing tasks.

  20. Breaking Cosmological Degeneracies in Galaxy Cluster Surveys with a Physical Model of Cluster Structure

    E-Print Network [OSTI]

    Joshua D. Younger; Zoltan Haiman; Greg L. Bryan; Sheng Wang

    2006-12-22

    Forthcoming large galaxy cluster surveys will yield tight constraints on cosmological models. It has been shown that in an idealized survey, containing > 10,000 clusters, statistical errors on dark energy and other cosmological parameters will be at the percent level. It has also been shown that through "self-calibration", parameters describing the mass-observable relation and cosmology can be simultaneously determined, though at a loss in accuracy by about an order of magnitude. Here we examine the utility of an alternative approach of self-calibration, in which a parametrized ab-initio physical model is used to compute cluster structure and the resulting mass-observable relations. As an example, we use a modified-entropy ("pre-heating") model of the intracluster medium, with the history and magnitude of entropy injection as unknown input parameters. Using a Fisher matrix approach, we evaluate the expected simultaneous statistical errors on cosmological and cluster model parameters. We study two types of surveys, in which a comparable number of clusters are identified either through their X-ray emission or through their integrated Sunyaev-Zel'dovich (SZ) effect. We find that compared to a phenomenological parametrization of the mass-observable relation, using our physical model yields significantly tighter constraints in both surveys, and offers substantially improved synergy when the two surveys are combined. These results suggest that parametrized physical models of cluster structure will be useful when extracting cosmological constraints from SZ and X-ray cluster surveys. (abridged)

  1. CHEMICAL LABORATORY SAFETY AND METHODOLOGY

    E-Print Network [OSTI]

    Northern British Columbia, University of

    CHEMICAL LABORATORY SAFETY AND METHODOLOGY MANUAL August 2013 #12;ii Emergency Numbers UNBC Prince-Emergency Numbers UNBC Prince George Campus Chemstores 6472 Chemical Safety 6472 Radiation Safety 6472 Biological the safe use, storage, handling, waste and emergency management of chemicals on the University of Northern

  2. STORM: A STatistical Object Representation Model

    SciTech Connect (OSTI)

    Rafanelli, M. ); Shoshani, A. )

    1989-11-01

    In this paper we explore the structure and semantic properties of the entities stored in statistical databases. We call such entities statistical objects'' (SOs) and propose a new statistical object representation model,'' based on a graph representation. We identify a number of SO representational problems in current models and propose a methodology for their solution. 11 refs.

  3. Spent fuel management fee methodology and computer code user's manual.

    SciTech Connect (OSTI)

    Engel, R.L.; White, M.K.

    1982-01-01

    The methodology and computer model described here were developed to analyze the cash flows for the federal government taking title to and managing spent nuclear fuel. The methodology has been used by the US Department of Energy (DOE) to estimate the spent fuel disposal fee that will provide full cost recovery. Although the methodology was designed to analyze interim storage followed by spent fuel disposal, it could be used to calculate a fee for reprocessing spent fuel and disposing of the waste. The methodology consists of two phases. The first phase estimates government expenditures for spent fuel management. The second phase determines the fees that will result in revenues such that the government attains full cost recovery assuming various revenue collection philosophies. These two phases are discussed in detail in subsequent sections of this report. Each of the two phases constitute a computer module, called SPADE (SPent fuel Analysis and Disposal Economics) and FEAN (FEe ANalysis), respectively.

  4. Random vibration sensitivity studies of modeling uncertainties in the NIF structures

    SciTech Connect (OSTI)

    Swensen, E.A.; Farrar, C.R. [Los Alamos National Lab., NM (United States); Barron, A.A. [Stanford Univ., CA (United States). Dept. of Civil Engineering; Cornwell, P. [Rose-Hulman Inst. of Tech., Terre Haute, IN (United States). Mechanical Engineering Dept.

    1996-12-31

    The National Ignition Facility is a laser fusion project that will provide an above-ground experimental capability for nuclear weapons effects simulation. This facility will achieve fusion ignition utilizing solid-state lasers as the energy driver. The facility will cover an estimated 33,400 m{sup 2} at an average height of 5--6 stories. Within this complex, a number of beam transport structures will be houses that will deliver the laser beams to the target area within a 50 {micro}m ms radius of the target center. The beam transport structures are approximately 23 m long and reach approximately heights of 2--3 stories. Low-level ambient random vibrations are one of the primary concerns currently controlling the design of these structures. Low level ambient vibrations, 10{sup {minus}10} g{sup 2}/Hz over a frequency range of 1 to 200 Hz, are assumed to be present during all facility operations. Each structure described in this paper will be required to achieve and maintain 0.6 {micro}rad ms laser beam pointing stability for a minimum of 2 hours under these vibration levels. To date, finite element (FE) analysis has been performed on a number of the beam transport structures. Certain assumptions have to be made regarding structural uncertainties in the FE models. These uncertainties consist of damping values for concrete and steel, compliance within bolted and welded joints, and assumptions regarding the phase coherence of ground motion components. In this paper, the influence of these structural uncertainties on the predicted pointing stability of the beam line transport structures as determined by random vibration analysis will be discussed.

  5. Scaling between Structural Relaxation and Particle Caging in a Model Colloidal Gel

    E-Print Network [OSTI]

    Cristiano De Michele; Emanuela Del Gado; Dino Leporini

    2010-09-08

    In polymers melts and supercooled liquids, the glassy dynamics is characterized by the rattling of monomers or particles in the cage formed by their neighbors. Recently, a direct correlation in such systems, described by a universal scaling form, has been established between the rattling amplitude and the structural relaxation time. In this paper we analyze the glassy dynamics emerging from the formation of a persistent network in a model colloidal gel at very low density. The structural relaxation time of the gel network is compared with the mean squared displacement at short times, corresponding to the localization length associated to the presence of energetic bonds. Interestingly, we find that the same type of scaling as for the dense glassy systems holds. Our findings well elucidate the strong coupling between the cooperative rearrangements of the gel network and the single particle localization in the structure. Our results further indicate that the scaling captures indeed fundamental physical elements of glassy dynamics.

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

    E-Print Network [OSTI]

    Iarova, D A

    2014-01-01

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

  7. Macroscale modeling and mesoscale observations of plasma density structures in the polar cap

    SciTech Connect (OSTI)

    Basu, S.; Basu, S.; Sojka, J.J.; Schunk, R.W.; MacKenzie, E.

    1995-04-15

    The seasonal and UT variation of mesoscale structures (10 km - 100 m) in the central polar cap has been obtained from an analysis of 250-MHz intensity scintillation observations made at Thule, Greenland. It has been established earlier that mesoscale structures causing scintillations of satellite signals may develop at the edges of macroscale structures (several hundred km) such as discrete polar cap plasma density enhancements or patches through the gradient drift instability process. As such, the authrs examined the seasonal and UT variation of polar cap patches simulated by using the USU Time Dependent Ionospheric Model (TDIM) under conditions of southward B(sub z). A fairly remarkable similarity is found between the scintillation observations and the model predictions of patch occurrence. For instance, both the patch and scintillation occurrences are minimized during the winter solstice (northern hemisphere) between 0800-1200 UT while also having their largest seasonal intensity between 2000-2400 UT. Little UT dependence of patches and scintillations is seen at equinox with high intensity being observed throughout the day, while during local summer the intensity of macroscale patches and mesoscale irregularities are found to be a minimum at all UT. These results indicate that macroscale features in the polar cap are routinely associated with plasma instabilities giving rise to smaller scale structures and that the specific patch formation mechanism assumed in the simulation is consistent with the observations.

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

    E-Print Network [OSTI]

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

    2012-01-01

    Jeffrey L. Coles Arizona State University (ASU) - Finance Department Michael L. Lemmon University of Utah - Department of Finance Felix Meschke University of Kansas - Finance Area This version: April 14, 2011 Paper citation: Jeffrey L.... Coles, Michael L. Lemmon, J. Felix Meschke, Structural models and endogeneity in corporate finance: The link between managerial ownership and corporate performance, Journal of Financial Economics, Volume 103, Issue 1, January 2012, Pages 149-168, ISSN...

  9. Homology Model for Oncostatin M Based on NMR Structural Data Douglas Kitchen,, Ross C. Hoffman,|, Franklin J. Moy, and Robert Powers*,

    E-Print Network [OSTI]

    Powers, Robert

    Homology Model for Oncostatin M Based on NMR Structural Data Douglas Kitchen,,§ Ross C. Hoffman-ray structure, creating homology models may prove to be the most efficient means of providing structural data model for OM was determined from the X-ray structures of human growth hormone (hGH), LIF, and G

  10. Algebraic structure of the two-qubit quantum Rabi model and its solvability using Bogoliubov operators

    E-Print Network [OSTI]

    Jie Peng; Zhongzhou Ren; Haitao Yang; Guangjie Guo; Xin Zhang; Guoxing Ju; Xiaoyong Guo; Chaosheng Deng; Guolin Hao

    2015-01-27

    We have found the algebraic structure of the two-qubit quantum Rabi model behind the possibility of its novel quasi-exact solutions with finite photon numbers by analyzing the Hamiltonian in the photon number space. The quasi-exact eigenstates with at most $1$ photon exist in the whole qubit-photon coupling regime with constant eigenenergy equal to single photon energy \\hbar\\omega, which can be clear demonstrated from the Hamiltonian structure. With similar method, we find these special "dark states"-like eigenstates commonly exist for the two-qubit Jaynes-Cummings model, with $E=N\\hbar\\omega$ (N=-1,0,1,...), and one of them is also the eigenstate of the two-qubit quantum Rabi model, which may provide some interesting application in a simper way. Besides, using Bogoliubov operators, we analytically retrieve the solution of the general two-qubit quantum Rabi model. In this more concise and physical way, without using Bargmann space, we clearly see how the eigenvalues of the infinite-dimensional two-qubit quantum Rabi Hamiltonian are determined by convergent power series, so that the solution can reach arbitrary accuracy reasonably because of the convergence property.

  11. Energy Efficiency Indicators Methodology Booklet

    SciTech Connect (OSTI)

    Sathaye, Jayant; Price, Lynn; McNeil, Michael; de la rue du Can, Stephane

    2010-05-01

    This Methodology Booklet provides a comprehensive review and methodology guiding principles for constructing energy efficiency indicators, with illustrative examples of application to individual countries. It reviews work done by international agencies and national government in constructing meaningful energy efficiency indicators that help policy makers to assess changes in energy efficiency over time. Building on past OECD experience and best practices, and the knowledge of these countries' institutions, relevant sources of information to construct an energy indicator database are identified. A framework based on levels of hierarchy of indicators -- spanning from aggregate, macro level to disaggregated end-use level metrics -- is presented to help shape the understanding of assessing energy efficiency. In each sector of activity: industry, commercial, residential, agriculture and transport, indicators are presented and recommendations to distinguish the different factors affecting energy use are highlighted. The methodology booklet addresses specifically issues that are relevant to developing indicators where activity is a major factor driving energy demand. A companion spreadsheet tool is available upon request.

  12. First Structure Formation: I. Primordial Star Forming Regions in hierarchical models

    E-Print Network [OSTI]

    Tom Abel; Peter Anninos; Michael L. Norman; Yu Zhang

    1997-05-17

    We investigate the possibility of very early formation of primordial star clusters from high-\\sigma perturbations in cold dark matter dominated structure formation scenarios. For this we have developed a powerful 2-level hierarchical cosmological code with a realistic and robust treatment of multi-species primordial gas chemistry, paying special attention to the formation and destruction of hydrogen molecules, non-equilibrium ionization, and cooling processes. We performed 3-D simulations at small scales and at high redshifts and find that, analogous to simulations of large scale structure, a complex system of filaments, sheets, and spherical knots at the intersections of filaments form. On the mass scales covered by our simulations (5x10^5 - 1x10^9\\Ms) that collapse at redshifts z>25, we find that only at the spherical knots can enough H2 be formed (n_{H_2}/n_H > 5x10^-4) to cool the gas appreciably. Quantities such as the time dependence of the formation of H2 molecules, the final H2 fraction, and central densities from the simulations are compared to the theoretical predictions of Abel (1995) and Tegmark et al. (1997) and found to agree remarkably well. Comparing the 3-D results to an isobaric collapse model we further discuss the possible implications of the extensive merging of small structure that is inherent in hierarchical models. Typically only 5-8% percent of the total baryonic mass in the collapsing structures is found to cool significanlty. Assuming the Padoan (1995) model for star formation our results would predict the first stellar systems to be as small as ~30\\Ms. Some implications for primordial globular cluster formation scenarios are also discussed.

  13. Nonlinear waves and coherent structures in the quantum single-wave model

    SciTech Connect (OSTI)

    Tzenov, Stephan I. [Department of Physics, Lancaster University, Lancaster LA1 4YB (United Kingdom); Marinov, Kiril B. [ASTeC, STFC Daresbury Laboratory, Keckwick Lane, Daresbury WA4 4AD (United Kingdom)

    2011-10-15

    Starting from the von Neumann-Maxwell equations for the Wigner quasi-probability distribution and for the self-consistent electric field, the quantum analog of the classical single-wave model has been derived. The linear stability of the quantum single-wave model has been studied, and periodic in time patterns have been found both analytically and numerically. In addition, some features of quantum chaos have been detected in the unstable region in parameter space. Further, a class of standing-wave solutions of the quantum single-wave model has also been found, which have been observed to behave as stable solitary-wave structures. The analytical results have been finally compared to the exact system dynamics obtained by solving the corresponding equations in Schrodinger representation numerically.

  14. Modeling laser-induced periodic surface structures: Finite-difference time-domain feedback simulations

    SciTech Connect (OSTI)

    Skolski, J. Z. P., E-mail: j.z.p.skolski@utwente.nl; Vincenc Obona, J. [Materials innovation institute M2i, Faculty of Engineering Technology, Chair of Applied Laser Technology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Römer, G. R. B. E.; Huis in 't Veld, A. J. [Faculty of Engineering Technology, Chair of Applied Laser Technology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands)

    2014-03-14

    A model predicting the formation of laser-induced periodic surface structures (LIPSSs) is presented. That is, the finite-difference time domain method is used to study the interaction of electromagnetic fields with rough surfaces. In this approach, the rough surface is modified by “ablation after each laser pulse,” according to the absorbed energy profile, in order to account for inter-pulse feedback mechanisms. LIPSSs with a periodicity significantly smaller than the laser wavelength are found to “grow” either parallel or orthogonal to the laser polarization. The change in orientation and periodicity follow from the model. LIPSSs with a periodicity larger than the wavelength of the laser radiation and complex superimposed LIPSS patterns are also predicted by the model.

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

    E-Print Network [OSTI]

    Turner, Daniel Z

    2012-01-01

    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...

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

    SciTech Connect (OSTI)

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

    2012-02-23

    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.

  17. Modeling and simulation of electronic structure, material interface and random doping in nano-electronic devices

    SciTech Connect (OSTI)

    Chen Duan [Department of Mathematics, Michigan State University, East Lansing, MI 48824 (United States); Wei Guowei [Department of Mathematics, Michigan State University, East Lansing, MI 48824 (United States); Department of Electrical and Computer Engineering, Michigan State University, East Lansing, MI 48824 (United States)], E-mail: wei@math.msu.edu

    2010-06-20

    The miniaturization of nano-scale electronic devices, such as metal oxide semiconductor field effect transistors (MOSFETs), has given rise to a pressing demand in the new theoretical understanding and practical tactic for dealing with quantum mechanical effects in integrated circuits. Modeling and simulation of this class of problems have emerged as an important topic in applied and computational mathematics. This work presents mathematical models and computational algorithms for the simulation of nano-scale MOSFETs. We introduce a unified two-scale energy functional to describe the electrons and the continuum electrostatic potential of the nano-electronic device. This framework enables us to put microscopic and macroscopic descriptions in an equal footing at nano-scale. By optimization of the energy functional, we derive consistently coupled Poisson-Kohn-Sham equations. Additionally, layered structures are crucial to the electrostatic and transport properties of nano-transistors. A material interface model is proposed for more accurate description of the electrostatics governed by the Poisson equation. Finally, a new individual dopant model that utilizes the Dirac delta function is proposed to understand the random doping effect in nano-electronic devices. Two mathematical algorithms, the matched interface and boundary (MIB) method and the Dirichlet-to-Neumann mapping (DNM) technique, are introduced to improve the computational efficiency of nano-device simulations. Electronic structures are computed via subband decomposition and the transport properties, such as the I-V curves and electron density, are evaluated via the non-equilibrium Green's functions (NEGF) formalism. Two distinct device configurations, a double-gate MOSFET and a four-gate MOSFET, are considered in our three-dimensional numerical simulations. For these devices, the current fluctuation and voltage threshold lowering effect induced by the discrete dopant model are explored. Numerical convergence and model well-posedness are also investigated in the present work.

  18. Thermodynamics and Structural Properties of the High Density Gaussian Core Model

    E-Print Network [OSTI]

    Atsushi Ikeda; Kunimasa Miyazaki

    2011-07-20

    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.

  19. 3D modelling of forest canopy structure for remote sensing simulations in the optical and microwave domains

    E-Print Network [OSTI]

    Jones, Peter JS

    3D modelling of forest canopy structure for remote sensing simulations in the optical and microwave) and backscatter (microwave) signals measured remotely. We show it is feasible to model forest canopy scattering were used to drive optical and microwave models of canopy scattering. Simulated canopy radiometric

  20. Influence of the plasma environment on atomic structure using an ion-sphere model

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

    Belkhiri, Madeny Jean; Fontes, Christopher John; Poirier, Michel

    2015-09-03

    Plasma environment effects on atomic structure are analyzed using various atomic structure codes. To monitor the effect of high free-electron density or low temperatures, Fermi-Dirac and Maxwell-Boltzmann statistics are compared. After a discussion of the implementation of the Fermi-Dirac approach within the ion-sphere model, several applications are considered. In order to check the consistency of the modifications brought here to extant codes, calculations have been performed using the Los Alamos Cowan Atomic Structure (cats) code in its Hartree-Fock or Hartree-Fock-Slater form and the parametric potential Flexible Atomic Code (fac). The ground-state energy shifts due to the plasma effects for themore »six most ionized aluminum ions have been calculated using the fac and cats codes and fairly agree. For the intercombination resonance line in Fe22+, the plasma effect within the uniform electron gas model results in a positive shift that agrees with the MCDF value of B. Saha et al.« less

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

    SciTech Connect (OSTI)

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

    2013-01-01

    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.

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

    E-Print Network [OSTI]

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

    2014-02-26

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

  3. Solutia: Massachusetts Chemical Manufacturer Uses SECURE Methodology...

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

    Solutia: Massachusetts Chemical Manufacturer Uses SECURE Methodology to Identify Potential Reductions in Utility and Process Energy Consumption Solutia: Massachusetts Chemical...

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

    SciTech Connect (OSTI)

    Myrent, Noah J.; Kusnick, Joshua F.; Barrett, Natalie C.; Adams, Douglas E.; Griffith, Daniel Todd

    2013-04-01

    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.

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

    E-Print Network [OSTI]

    McGrath, John Thomas

    1980-01-01

    for the degree of I'V. STER OF S"IENCE Vay 1980 Va jor Sub jec ~: Elec+r ical Engineering THE FIXED STRUCTURALLY ROBUST INTERNAL MODEL PRINCIPLE FOR LINEAR MULTIVARIABLE REGUIATORS A Thesis by JOHN THOMAS MCGRATH Aoproved as to style and content by... Multivariable Regulators. (May 19BC) John Thomas McGrath, B. S. , Texas ARM Unive sity Chairman of Advisory Committee: Dr. Ralph Keary Cavin III In this paper we develop the necessary and suffi- cient cond'tions to establish the new concept of' a fixed...

  6. Modelling and mapping temperate hardwood forest structural complexity as an indicator of biodiversity

    E-Print Network [OSTI]

    - Composition & configuration of forest structural attributes Keystone Structures ­ e.g. dead wood `Habitat. Animal species diversity driven by habitat heterogeneity/diversity: The importance of keystone structures

  7. Calibration methodology for proportional counters applied to yield measurements of a neutron burst

    SciTech Connect (OSTI)

    Tarifeño-Saldivia, Ariel E-mail: atarisal@gmail.com; Pavez, Cristian; Soto, Leopoldo; Center for Research and Applications in Plasma Physics and Pulsed Power, P4, Santiago; Departamento de Ciencias Fisicas, Facultad de Ciencias Exactas, Universidad Andres Bello, Republica 220, Santiago ; Mayer, Roberto E.

    2014-01-15

    This paper introduces a methodology for the yield measurement of a neutron burst using neutron proportional counters. This methodology is to be applied when single neutron events cannot be resolved in time by nuclear standard electronics, or when a continuous current cannot be measured at the output of the counter. The methodology is based on the calibration of the counter in pulse mode, and the use of a statistical model to estimate the number of detected events from the accumulated charge resulting from the detection of the burst of neutrons. The model is developed and presented in full detail. For the measurement of fast neutron yields generated from plasma focus experiments using a moderated proportional counter, the implementation of the methodology is herein discussed. An experimental verification of the accuracy of the methodology is presented. An improvement of more than one order of magnitude in the accuracy of the detection system is obtained by using this methodology with respect to previous calibration methods.

  8. MM versus ML estimates of structural equation models with interaction terms: robustness to non-normality of the consistency property

    E-Print Network [OSTI]

    Mooijaart, Ab; Satorra, Albert

    2011-01-01

    of-?t summaries for the MM method degrees of freedom chi-regarding the robustness of the MM method to non-normality.MM versus ML estimates of structural equation models with

  9. Architecture Rationalization: A Methodology for Architecture Verifiability, Traceability and Completeness

    E-Print Network [OSTI]

    Han, Jun

    Architecture Rationalization: A Methodology for Architecture Verifiability, Traceability and Completeness Antony Tang Jun Han Faculty of ICT, Swinburne University of Technology, Melbourne, Australia E-mail: {atang, jhan}@it.swin.edu.au Abstract Architecture modeling is practiced extensively in the software

  10. Modeling the large-scale structure of a barchan dune field

    E-Print Network [OSTI]

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

    2013-01-01

    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...

  11. Monte Carlo study of Lefschetz thimble structure in one-dimensional Thirring model at finite density

    E-Print Network [OSTI]

    Fujii, Hirotsugu; Kikukawa, Yoshio

    2015-01-01

    We consider the one-dimensional massive Thirring model formulated on the lattice with staggered fermions and an auxiliary compact vector (link) field, which is exactly solvable and shows a phase transition with increasing the chemical potential of fermion number: the crossover at a finite temperature and the first order transition at zero temperature. We complexify its path-integration on Lefschetz thimbles and examine its phase transition by hybrid Monte Carlo simulations on the single dominant thimble. We observe a discrepancy between the numerical and exact results in the crossover region for small inverse coupling $\\beta$ and/or large lattice size $L$, while they are in good agreement at the lower and higher density regions. We also observe that the discrepancy persists in the continuum limit keeping the temperature finite and it becomes more significant toward the low-temperature limit. This numerical result is consistent with our analytical study of the model's thimble structure. And these results imply...

  12. A design methodology for hysteretic dampers in buildings under extreme earthquakes

    E-Print Network [OSTI]

    Fleming, Cody Harrison

    2004-01-01

    This research proposes a design methodology for hysteretic dampers in buildings under high levels of seismic hazard. Developments in structural materials have led to designs that satisfy strength requirements but are often ...

  13. A design methodology for the user interface of an electromechanical parts database

    E-Print Network [OSTI]

    Ferreira, TonI (Toni Jolene)

    2013-01-01

    In an increasingly complex supply chain, the use of a structured methodology for locating applicable existing parts during the design process can help a large-volume manufacturer to encourage the reuse of components already ...

  14. A controlled distributed parameter model for a fluid-flexible structure system: numerical simulations and experiment validations

    E-Print Network [OSTI]

    Baudouin, Lucie

    A controlled distributed parameter model for a fluid-flexible structure system: numerical consider the problem of active reduction of vibrations in a fluid-flexible structure system and the sloshing of the fuel inside the wing's tank. The control is performed using piezoelectric patches

  15. Velocity and Attenuation Structure of the Tibetan Lithosphere Under the Hi-CLIMB Array From the Modeling of Pn Attributes

    E-Print Network [OSTI]

    Nowack, Robert L.

    Velocity and Attenuation Structure of the Tibetan Lithosphere Under the Hi-CLIMB Array From earthquakes in Tibet recorded by the Hi-CLIMB experiment, Pn attributes are used to constrain the velocity gradient and attenuation structure of the Tibetan lithosphere under the Hi-CLIMB array. Numerical modeling

  16. Lattice and Off-Lattice Side Chain Models of Protein Folding: Linear Time Structure Prediction Better Than 86% of Optimal

    E-Print Network [OSTI]

    Istrail, Sorin

    Lattice and Off-Lattice Side Chain Models of Protein Folding: Linear Time Structure Prediction This paper considers the protein structure prediction problem for lattice and off-lattice protein folding tools for reasoning about protein folding in unrestricted continuous space through anal- ogy. This paper

  17. Solving coiled-coil protein structures

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

    Dauter, Zbigniew

    2015-02-26

    With the availability of more than 100,000 entries stored in the Protein Data Bank (PDB) that can be used as search models, molecular replacement (MR) is currently the most popular method of solving crystal structures of macromolecules. Significant methodological efforts have been directed in recent years towards making this approach more powerful and practical. This resulted in the creation of several computer programs, highly automated and user friendly, that are able to successfully solve many structures even by researchers who, although interested in structures of biomolecules, are not very experienced in crystallography.

  18. A coarse-grained model with implicit salt for RNAs: Predicting 3D structure, stability and salt effect

    SciTech Connect (OSTI)

    Shi, Ya-Zhou; Wang, Feng-Hua; Wu, Yuan-Yan; Tan, Zhi-Jie

    2014-09-14

    To bridge the gap between the sequences and 3-dimensional (3D) structures of RNAs, some computational models have been proposed for predicting RNA 3D structures. However, the existed models seldom consider the conditions departing from the room/body temperature and high salt (1M NaCl), and thus generally hardly predict the thermodynamics and salt effect. In this study, we propose a coarse-grained model with implicit salt for RNAs to predict 3D structures, stability, and salt effect. Combined with Monte Carlo simulated annealing algorithm and a coarse-grained force field, the model folds 46 tested RNAs (?45 nt) including pseudoknots into their native-like structures from their sequences, with an overall mean RMSD of 3.5 Å and an overall minimum RMSD of 1.9 Å from the experimental structures. For 30 RNA hairpins, the present model also gives the reliable predictions for the stability and salt effect with the mean deviation ? 1.0 °C of melting temperatures, as compared with the extensive experimental data. In addition, the model could provide the ensemble of possible 3D structures for a short RNA at a given temperature/salt condition.

  19. Modeling of the magnetic properties of nanomaterials with different crystalline structure

    E-Print Network [OSTI]

    Yury Kirienko; Leonid Afremov

    2013-01-13

    We propose a method for modeling the magnetic properties of nanomaterials with different structures. The method is based on the Ising model and the approximation of the random field interaction. It is shown that in this approximation, the magnetization of the nanocrystal depends only on the number of nearest neighbors of the lattice atoms and the values of exchange integrals between them. This gives a good algorithmic problem of calculating the magnetization of any nano-object, whether it is ultrathin film or nanoparticle of any shape and structure, managing only a rule of selection of nearest neighbors. By setting different values of exchange integrals, it is easy to describe ferromagnets, antiferromagnets, and ferrimagnets in a unified formalism. Having obtained the magnetization curve of the sample it is possible to find the Curie temperature as a function of, for example, the thickness of ultrathin film. Afterwards one can obtain the numerical values for critical exponents of the phase transition "ferromagnet -- paramagnet". Good agreement between the results of calculations and the experimental data proves the correctness of the method.

  20. Hydrocracking of model polynuclear aromatics: Pathways, kinetics, and structure/reactivity correlations

    SciTech Connect (OSTI)

    Klein, M.T.; Korre, S.C.; Read, C.J.; Russell, C.L. [Univ. of Deleware, Newark, DE (United States)

    1993-12-31

    Heavy oil catalytic hydrocracking is a flexible refining process aimed at increasing the hydrogen-to-carbon ratio, while at the same time decreasing the molecular weight of heavy oils. Reliable information on kinetics, pathways and mechanisms is scarce because of the complexity of the feed that obscures reactant structure. The authors have thus sought to introduce the reactant structure through model compound experiments. The reactants were selected in order to sample the basic structural attributes of heavy oils - the total number of rings, the numbers of aromatic rings and the extent of alkyl substitution. The pathways of hydrocracking bare-ring compounds consist of hydrogenation of an aromatic ring, isomerization of the resulting cyclohexyl moiety to a metyl cyclopentyl moiety, ring opening to a butyl side chain, and dealkylation of the side chain at various positions. This ring-by-ring procedure is repeated a new until alkyl benzenes were produced. The authors have extended this reaction family notion to efficiently organize kinetic information in terms of linear free energy relationships. The authors have also studied a more efficient way of cleavage of polynuclear aromatics, where to molecules of alkyl benzenes are produced from one molecule with {>=}3 rings. Certain alkyl biphenyl moieties have been found to undergo this selective cleavage. Additionally, dealkylation pathways and kinetics have been further examined by experiments with long-alkyl substituted compounds (C{sub 4}-C{sub 15}). These results are expected to enhance the understanding of heavy oil hydrocracking and contribute to process modeling and optimization, with special emphasis on product properties.

  1. DOE Systems Engineering Methodology (SEM): Stage Exit V3 | Department...

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

    Systems Engineering Methodology (SEM): Stage Exit V3 DOE Systems Engineering Methodology (SEM): Stage Exit V3 The DOE Systems Engineering Methodology (SEM) describes the standard...

  2. HOT X-RAY CORONAE AROUND MASSIVE SPIRAL GALAXIES: A UNIQUE PROBE OF STRUCTURE FORMATION MODELS

    SciTech Connect (OSTI)

    Bogdan, Akos; Forman, William R.; Vogelsberger, Mark; Sijacki, Debora; Mazzotta, Pasquale; Kraft, Ralph P.; Jones, Christine; David, Laurence P. [Harvard Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Bourdin, Herve [Dipartimento di Fisica, Universita degli Studi di Roma 'Tor Vergata', via della Ricerca Scientifica 1, I-00133 Roma (Italy); Gilfanov, Marat; Churazov, Eugene, E-mail: abogdan@cfa.harvard.edu [Max-Planck-Institut fuer Astrophysik, Karl-Schwarzschild-str. 1, D-85748 Garching (Germany)

    2013-08-01

    Luminous X-ray gas coronae in the dark matter halos of massive spiral galaxies are a fundamental prediction of structure formation models, yet only a few such coronae have been detected so far. In this paper, we study the hot X-ray coronae beyond the optical disks of two 'normal' massive spirals, NGC 1961 and NGC 6753. Based on XMM-Newton X-ray observations, hot gaseous emission is detected to {approx}60 kpc-well beyond their optical radii. The hot gas has a best-fit temperature of kT {approx} 0.6 keV and an abundance of {approx}0.1 Solar, and exhibits a fairly uniform distribution, suggesting that the quasi-static gas resides in hydrostatic equilibrium in the potential well of the galaxies. The bolometric luminosity of the gas in the (0.05-0.15)r{sub 200} region (r{sub 200} is the virial radius) is {approx}6 Multiplication-Sign 10{sup 40} erg s{sup -1} for both galaxies. The baryon mass fractions of NGC 1961 and NGC 6753 are f{sub b,NGC1961} {approx} 0.11 and f{sub b,NGC6753} {approx} 0.09, which values fall short of the cosmic baryon fraction. The hot coronae around NGC 1961 and NGC 6753 offer an excellent basis to probe structure formation simulations. To this end, the observations are confronted with the moving mesh code AREPO and the smoothed particle hydrodynamics code GADGET. Although neither model gives a perfect description, the observed luminosities, gas masses, and abundances favor the AREPO code. Moreover, the shape and the normalization of the observed density profiles are better reproduced by AREPO within {approx}0.5r{sub 200}. However, neither model incorporates efficient feedback from supermassive black holes or supernovae, which could alter the simulated properties of the X-ray coronae. With the further advance of numerical models, the present observations will be essential in constraining the feedback effects in structure formation simulations.

  3. FLUID-STRUCTURE INTERACTION MODELS OF THE MITRAL VALVE: FUNCTION IN NORMAL AND PATHOLOGIC STATES

    SciTech Connect (OSTI)

    Kunzelman, K. S.; Einstein, Daniel R.; Cochran, R. P.

    2007-08-29

    Successful mitral valve repair is dependent upon a full understanding of normal and abnormal mitral valve anatomy and function. Computational analysis is one such method that can be applied to simulate mitral valve function in order to analyze the roles of individual components, and evaluate proposed surgical repair. We developed the first three-dimensional, finite element (FE) computer model of the mitral valve including leaflets and chordae tendineae, however, one critical aspect that has been missing until the last few years was the evaluation of fluid flow, as coupled to the function of the mitral valve structure. We present here our latest results for normal function and specific pathologic changes using a fluid-structure interaction (FSI) model. Normal valve function was first assessed, followed by pathologic material changes in collagen fiber volume fraction, fiber stiffness, fiber splay, and isotropic stiffness. Leaflet and chordal stress and strain, and papillary muscle force was determined. In addition, transmitral flow, time to leaflet closure, and heart valve sound were assessed. Model predictions in the normal state agreed well with a wide range of available in-vivo and in-vitro data. Further, pathologic material changes that preserved the anisotropy of the valve leaflets were found to preserve valve function. By contrast, material changes that altered the anisotropy of the valve were found to profoundly alter valve function. The addition of blood flow and an experimentally driven microstructural description of mitral tissue represent significant advances in computational studies of the mitral valve, which allow further insight to be gained. This work is another building block in the foundation of a computational framework to aid in the refinement and development of a truly noninvasive diagnostic evaluation of the mitral valve. Ultimately, it represents the basis for simulation of surgical repair of pathologic valves in a clinical and educational setting.

  4. Simulation Enabled Safeguards Assessment Methodology

    SciTech Connect (OSTI)

    Robert Bean; Trond Bjornard; Thomas Larson

    2007-09-01

    It is expected that nuclear energy will be a significant component of future supplies. New facilities, operating under a strengthened international nonproliferation regime will be needed. There is good reason to believe virtual engineering applied to the facility design, as well as to the safeguards system design will reduce total project cost and improve efficiency in the design cycle. Simulation Enabled Safeguards Assessment MEthodology (SESAME) has been developed as a software package to provide this capability for nuclear reprocessing facilities. The software architecture is specifically designed for distributed computing, collaborative design efforts, and modular construction to allow step improvements in functionality. Drag and drop wireframe construction allows the user to select the desired components from a component warehouse, render the system for 3D visualization, and, linked to a set of physics libraries and/or computational codes, conduct process evaluations of the system they have designed.

  5. Methodology for flammable gas evaluations

    SciTech Connect (OSTI)

    Hopkins, J.D., Westinghouse Hanford

    1996-06-12

    There are 177 radioactive waste storage tanks at the Hanford Site. The waste generates flammable gases. The waste releases gas continuously, but in some tanks the waste has shown a tendency to trap these flammable gases. When enough gas is trapped in a tank`s waste matrix, it may be released in a way that renders part or all of the tank atmosphere flammable for a period of time. Tanks must be evaluated against previously defined criteria to determine whether they can present a flammable gas hazard. This document presents the methodology for evaluating tanks in two areas of concern in the tank headspace:steady-state flammable-gas concentration resulting from continuous release, and concentration resulting from an episodic gas release.

  6. On the Vertical Structure of Modeled and Observed Deep Convective Storms: Insights for Precipitation Retrieval and Microphysical Parameterization

    E-Print Network [OSTI]

    Droegemeier, Kelvin K.

    On the Vertical Structure of Modeled and Observed Deep Convective Storms: Insights-GEORGIOU, AND VENUGOPAL VURUPUTUR Saint Anthony Falls Laboratory, Department of Civil Engineering, University of Minnesota of hydrometeors (liquid and frozen water droplets in a cloud) produced by high-resolution NWP models with explicit

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

    E-Print Network [OSTI]

    Benning, Liane G.

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

  8. Modeling the Structural Response from a Propagating High Explosive Using Smooth Particle Hydrodynamics

    SciTech Connect (OSTI)

    Margraf, J

    2012-06-12

    This report primarily concerns the use of two massively parallel finite element codes originally written and maintained at Lawrence Livermore National Laboratory. ALE3D is an explicit hydrodynamics code commonly employed to simulate wave propagation from high energy scenarios and the resulting interaction with nearby structures. This coupled response ensures that a structure is accurately applied with a blast loading varying both in space and time. Figure 1 illustrates the radial outward propagation of a pressure wave due to a center detonated spherical explosive originating from the lower left. The radial symmetry seen in this scenario is lost when instead a cylindrocal charge is detonated. Figure 2 indicates that a stronger, faster traveling pressure wave occurs in the direction of the normal axis to the cylinder. The ALE3D name is derived because of the use of arbitrary-Lagrange-Eulerian elements in which the mesh is allowed to advect; a process through which the mesh is modified to alleviate tanlging and general mesh distortion often cuased by high energy scenarios. The counterpart to an advecting element is a Lagrange element, whose mesh moves with the material. Ideally all structural components are kept Lagrange as long as possible to preserve accuracy of material variables and minimize advection related errors. Advection leads to mixed zoning, so using structural Lagrange elements also improves the visualization when post processing the results. A simplified representation of the advection process is shown in Figure 3. First the mesh is distorted due to material motion during the Lagrange step. The mesh is then shifted to an idealized and less distorted state to prevent irregular zones caused by the Lagrange motion. Lastly, the state variables are remapped to the elements of the newly constructed mesh. Note that Figure 3 represents a purely Eulerian mesh relaxation because the mesh is relocated back to the pre-Lagrange position. This is the case when the material flows through a still mesh. This is not typically done in an ALE3D analysis, especially if Lagrange elements exist. Deforming Lagrange elements would certainly tangle with a Eulerian mesh eventually. The best method in this case is to have an advecting mesh positioned as some relaxed version of the pre and post Lagrange step; this gives the best opportunity of modeling a high energy event with a combination of Lagrange and ALE elements. Dyne3D is another explicit dynamic analysis code, ParaDyn being the parallel version. ParaDyn is used for predicting the transient response of three dimensional structures using Lagrangian solid mechanics. Large deformation and mesh tangling is often resolved through the use of an element deletion scheme. This is useful to accommodate component failure, but if it is done purely as a means to preserve a useful mesh it can lead to problems because it does not maintain continuity of the material bulk response. Whatever medium exists between structural components is typically not modeled in ParaDyn. Instead, a structure either has a known loading profile applied or given initial conditions. The many included contact algorithms can calculate the loading response of materials if and when they collide. A recent implementation of an SPH module in which failed or deleted material nodes are converted to independent particles is currently being utilized for a variety of spall related problems and high velocity impact scenarios. Figure 4 shows an example of a projectile, given an initial velocity, and how it fails the first plate which generates SPH particles which then interact with and damage the second plate.

  9. Electronic structure and correlations of vitamin B12 studied within the Haldane-Anderson impurity model

    E-Print Network [OSTI]

    Kandemir, Zafer; Bulut, Nejat

    2015-01-01

    We study the electronic structure and correlations of vitamin B12 (cyanocobalamine) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition-metal impurity in a semiconductor host. In this approach, the cobalt 3d orbitals are treated as the impurity states placed in a semiconductor host where the host consists of the rest of the molecule. The parameters of the resulting effective Haldane-Anderson model are obtained within the Hartree-Fock (HF) approximation. The quantum Monte Carlo (QMC) technique is then used to calculate the one-electron and magnetic correlation functions of this effective model. We observe that new states form inside the semiconductor gap found by HF due to the intra-orbital Coulomb interaction at the impurity 3d orbitals. In particular, the lowest unoccupied states correspond to an impurity bound state, which consists of the states from the CN axial ligand and the corring ring as well as the Co e_g orbitals. We present results on the charge distri...

  10. An Integrated Approach Linking Process to Structural Modeling With Microstructural Characterization for Injections-Molded Long-Fiber Thermoplastics

    SciTech Connect (OSTI)

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

    2008-09-01

    The objective of our work is to enable the optimum design of lightweight automotive structural components using injection-molded long fiber thermoplastics (LFTs). To this end, an integrated approach that links process modeling to structural analysis with experimental microstructural characterization and validation is developed. First, process models for LFTs are developed and implemented into processing codes (e.g. ORIENT, Moldflow) to predict the microstructure of the as-formed composite (i.e. fiber length and orientation distributions). In parallel, characterization and testing methods are developed to obtain necessary microstructural data to validate process modeling predictions. Second, the predicted LFT composite microstructure is imported into a structural finite element analysis by ABAQUS to determine the response of the as-formed composite to given boundary conditions. At this stage, constitutive models accounting for the composite microstructure are developed to predict various types of behaviors (i.e. thermoelastic, viscoelastic, elastic-plastic, damage, fatigue, and impact) of LFTs. Experimental methods are also developed to determine material parameters and to validate constitutive models. Such a process-linked-structural modeling approach allows an LFT composite structure to be designed with confidence through numerical simulations. Some recent results of our collaborative research will be illustrated to show the usefulness and applications of this integrated approach.

  11. A New Thermal-Conscious System-Level Methodology for Energy-Efficient Processor Voltage Selection

    E-Print Network [OSTI]

    Wang, Yu

    A New Thermal-Conscious System-Level Methodology for Energy-Efficient Processor Voltage Selection a thermal-conscious system-level methodology to make energy-efficient voltage selection (VS) for nanometer), thermal resistance, are integrated and considered in our system models, and their impacts on energy

  12. A methodology for optimal sizing of autonomous hybrid PV/wind system

    E-Print Network [OSTI]

    Boyer, Edmond

    A methodology for optimal sizing of autonomous hybrid PV/wind system S. Diaf 1* , D. Diaf2 , M paper presents a methodology to perform the optimal sizing of an autonomous hybrid PV/wind system system reliability requirements, with the lowest value of levelised cost of energy. Modelling a hybrid PV/wind

  13. A Methodology for the Analysis and Selection of Alternative for the Disposition of Surplus Plutonium

    SciTech Connect (OSTI)

    NONE

    1999-08-31

    The Department of Energy (DOE) - Office of Fissile Materials Disposition (OFMD) has announced a Record of Decision (ROD) selecting alternatives for disposition of surplus plutonium. A major objective of this decision was to further U.S. efforts to prevent the proliferation of nuclear weapons. Other concerns that were addressed include economic, technical, institutional, schedule, environmental, and health and safety issues. The technical, environmental, and nonproliferation analyses supporting the ROD are documented in three DOE reports [DOE-TSR 96, DOE-PEIS 96, and DOE-NN 97, respectively]. At the request of OFMD, a team of analysts from the Amarillo National Resource Center for Plutonium (ANRCP) provided an independent evaluation of the alternatives for plutonium that were considered during the evaluation effort. This report outlines the methodology used by the ANRCP team. This methodology, referred to as multiattribute utility theory (MAU), provides a structure for assembling results of detailed technical, economic, schedule, environment, and nonproliferation analyses for OFMD, DOE policy makers, other stakeholders, and the general public in a systematic way. The MAU methodology has been supported for use in similar situations by the National Research Council, an agency of the National Academy of Sciences.1 It is important to emphasize that the MAU process does not lead to a computerized model that actually determines the decision for a complex problem. MAU is a management tool that is one component, albeit a key component, of a decision process. We subscribe to the philosophy that the result of using models should be insights, not numbers. The MAU approach consists of four steps: (1) identification of alternatives, objectives, and performance measures, (2) estimation of the performance of the alternatives with respect to the objectives, (3) development of value functions and weights for the objectives, and (4) evaluation of the alternatives and sensitivity analysis. These steps are described below.

  14. The Structure of Water in Crystalline Aluminophosphates: Isolated Water and Intermolecular Clusters Probed by Raman Spectroscopy, NMR and Structural Modeling

    E-Print Network [OSTI]

    Goddard III, William A.

    The Structure of Water in Crystalline Aluminophosphates: Isolated Water and Intermolecular Clusters are used to elucidate the properties of water in Metavariscite, AlPO4-H3, AlPO4-8 and VPI-5. The framework density of the aluminophosphates decreases along this sequence, the pore size increases, and the water

  15. Fine structure in the large n limit of the non-hermitian Penner matrix model

    E-Print Network [OSTI]

    Gabriel Álvarez; Luis Martínez Alonso; Elena Medina

    2015-07-09

    In this paper we apply results on the asymptotic zero distribution of the Laguerre polynomials to discuss generalizations of the standard large $n$ limit in the non-hermitian Penner matrix model. In these generalizations $g_n n\\to t$, but the product $g_n n$ is not necessarily fixed to the value of the 't Hooft coupling $t$. If $t>1$ and the limit $l = \\lim_{n\\rightarrow \\infty} |\\sin(\\pi/g_n)|^{1/n}$ exists, then the large $n$ limit is well-defined but depends both on $t$ and on $l$. This result implies that for $t>1$ the standard large $n$ limit with $g_n n=t$ fixed is not well-defined. The parameter $l$ determines a fine structure of the asymptotic eigenvalue support: for $l\

  16. Two-dimensional phase structure of SU(2) gauge-Higgs model

    E-Print Network [OSTI]

    Shinya Gongyo; Daniel Zwanziger

    2014-10-30

    We study the phase structure of SU(2) gauge-Higgs model in two dimensions using lattice simulations. We show the result for the plaquette expectation value, static potential, and W propagator. Our results suggest that a confinement-like region and a Higgs-like region appear even in two dimensions. The behavior of the plaquette expectation value is consistent with a smooth cross-over in accordance with the Fradkin-Shenker-Osterwalder-Seiler theorem. In the confinement-like region, the static potential seems to rise linearly with string breaking at large distances, while in the Higgs-like region there seems to be a massive behavior which means that the BEH mechanism occurs. The correlation length obtained from the W propagator has a finite maximum between these phases, which supports no second-order phase transition. Based on these results, we suggest that there is no phase transition in two dimensions.

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

    E-Print Network [OSTI]

    Mark Wurtz; Randy Lewis; T. G. Steele

    2009-07-29

    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.

  18. The variation of the fine structure constant: testing the dipole model with thermonuclear supernovae

    E-Print Network [OSTI]

    Kraiselburd, Lucila; Negrelli, Carolina; Berro, Enrique García

    2014-01-01

    The large-number hypothesis conjectures that fundamental constants may vary. Accordingly, the spacetime variation of fundamental constants has been an active subject of research for decades. Recently, using data obtained with large telescopes a phenomenological model in which the fine structure constant might vary spatially has been proposed. We test whether this hypothetical spatial variation of {\\alpha}, which follows a dipole law, is compatible with the data of distant thermonuclear supernovae. Unlike previous works, in our calculations we consider not only the variation of the luminosity distance when a varying {\\alpha} is adopted, but we also take into account the variation of the peak luminosity of Type Ia supernovae resulting from a variation of {\\alpha}. This is done using an empirical relation for the peak bolometric magnitude of thermonuclear supernovae that correctly reproduces the results of detailed numerical simulations. We find that there is no significant difference between the several phenome...

  19. Electric Utility Demand-Side Evaluation Methodologies 

    E-Print Network [OSTI]

    Treadway, N.

    1986-01-01

    UTILITY DEMAND-SIDE EVALUATION METHODOLOGIES* Nat Treadway Public Utility Commission of Texas Austin, Texas ABSTRACT The electric. util ity industry's demand-side management programs can be analyzed ?from various points of view using a standard... cost and certification proceedings. A s~andard benefit-cost methodology analyzes demand-slde management programs from various ~oints of view. The benefit-cost methodology now ln use by several electric utilities and the * The views presented...

  20. Methodology for Validating Building Energy Analysis Simulations

    SciTech Connect (OSTI)

    Judkoff, R.; Wortman, D.; O'Doherty, B.; Burch, J.

    2008-04-01

    The objective of this report was to develop a validation methodology for building energy analysis simulations, collect high-quality, unambiguous empirical data for validation, and apply the validation methodology to the DOE-2.1, BLAST-2MRT, BLAST-3.0, DEROB-3, DEROB-4, and SUNCAT 2.4 computer programs. This report covers background information, literature survey, validation methodology, comparative studies, analytical verification, empirical validation, comparative evaluation of codes, and conclusions.

  1. Stringy models of modified gravity: space-time defects and structure formation

    SciTech Connect (OSTI)

    Mavromatos, Nick E.; Sakellariadou, Mairi; Yusaf, Muhammad Furqaan, E-mail: nikolaos.mavromatos@kcl.ac.uk, E-mail: mairi.sakellariadou@kcl.ac.uk, E-mail: muhammad.yusaf@kcl.ac.uk [King's College London, Department of Physics, Strand, London WC2R 2LS (United Kingdom)

    2013-03-01

    Starting from microscopic models of space-time foam, based on brane universes propagating in bulk space-times populated by D0-brane defects (''D-particles''), we arrive at effective actions used by a low-energy observer on the brane world to describe his/her observations of the Universe. These actions include, apart from the metric tensor field, also scalar (dilaton) and vector fields, the latter describing the interactions of low-energy matter on the brane world with the recoiling point-like space-time defect (D-particle). The vector field is proportional to the recoil velocity of the D-particle and as such it satisfies a certain constraint. The vector breaks locally Lorentz invariance, which however is assumed to be conserved on average in a space-time foam situation, involving the interaction of matter with populations of D-particle defects. In this paper we clarify the role of fluctuations of the vector field on structure formation and galactic growth. In particular we demonstrate that, already at the end of the radiation era, the (constrained) vector field associated with the recoil of the defects provides the seeds for a growing mode in the evolution of the Universe. Such a growing mode survives during the matter dominated era, provided the variance of the D-particle recoil velocities on the brane is larger than a critical value. We note that in this model, as a result of specific properties of D-brane dynamics in the bulk, there is no issue of overclosing the brane Universe for large defect densities. Thus, in these models, the presence of defects may be associated with large-structure formation. Although our string inspired models do have (conventional, from a particle physics point of view) dark matter components, nevertheless it is interesting that the role of ''extra'' dark matter is also provided by the population of massive defects. This is consistent with the weakly interacting character of the D-particle defects, which predominantly interact only gravitationally.

  2. Modeling the large-scale structure of a barchan dune field

    E-Print Network [OSTI]

    S. Worman; A. B. Murray; R. Littlewood; B. Andreotti; P. Claudin

    2013-07-12

    In nature, barchan dunes typically exist as members of larger fields that display striking, enigmatic structures that cannot be readily explained by examining the dynamics at the scale of single dunes, or by appealing to patterns in external forcing. To explore the possibility that observed structures emerge spontaneously as a collective result of many dunes interacting with each other, we built a numerical model that treats barchans as discrete entities that interact with one another according to simplified rules derived from theoretical and numerical work and from field observations: (1) Dunes exchange sand through the fluxes that leak from the downwind side of each dune and are captured on their upstream sides; (2) when dunes become sufficiently large, small dunes are born on their downwind sides (`calving'); and (3) when dunes collide directly enough, they merge. Results show that these relatively simple interactions provide potential explanations for a range of field-scale phenomena including isolated patches of dunes and heterogeneous arrangements of similarly sized dunes in denser fields. The results also suggest that (1) dune field characteristics depend on the sand flux fed into the upwind boundary, although (2) moving downwind, the system approaches a common attracting state in which the memory of the upwind conditions vanishes. This work supports the hypothesis that calving exerts a first-order control on field-scale phenomena; it prevents individual dunes from growing without bound, as single-dune analyses suggest, and allows the formation of roughly realistic, persistent dune field patterns.

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

    SciTech Connect (OSTI)

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

    2010-09-30

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

  4. A High-Performance Embedded Hybrid Methodology for Uncertainty Quantification With Applications

    SciTech Connect (OSTI)

    Iaccarino, Gianluca

    2014-04-01

    Multiphysics processes modeled by a system of unsteady di#11;erential equations are natu- rally suited for partitioned (modular) solution strategies. We consider such a model where probabilistic uncertainties are present in each module of the system and represented as a set of random input parameters. A straightforward approach in quantifying uncertainties in the predicted solution would be to sample all the input parameters into a single set, and treat the full system as a black-box. Although this method is easily parallelizable and requires minimal modi#12;cations to deterministic solver, it is blind to the modular structure of the underlying multiphysical model. On the other hand, using spectral representations polynomial chaos expansions (PCE) can provide richer structural information regarding the dynamics of these uncertainties as they propagate from the inputs to the predicted output, but can be prohibitively expensive to implement in the high-dimensional global space of un- certain parameters. Therefore, we investigated hybrid methodologies wherein each module has the exibility of using sampling or PCE based methods of capturing local uncertainties while maintaining accuracy in the global uncertainty analysis. For the latter case, we use a conditional PCE model which mitigates the curse of dimension associated with intru- sive Galerkin or semi-intrusive Pseudospectral methods. After formalizing the theoretical framework, we demonstrate our proposed method using a numerical viscous ow simulation and benchmark the performance against a solely Monte-Carlo method and solely spectral method.

  5. Development of Nonlinear SSI Time Domain Methodology

    Broader source: Energy.gov [DOE]

    Development of Nonlinear SSI Time Domain Methodology Justin Coleman, P.E. Nuclear Science and Technology Idaho National Laboratory October 22, 2014

  6. Methodology for extracting local constants from petroleum cracking flows

    DOE Patents [OSTI]

    Chang, Shen-Lin (Woodridge, IL); Lottes, Steven A. (Naperville, IL); Zhou, Chenn Q. (Munster, IN)

    2000-01-01

    A methodology provides for the extraction of local chemical kinetic model constants for use in a reacting flow computational fluid dynamics (CFD) computer code with chemical kinetic computations to optimize the operating conditions or design of the system, including retrofit design improvements to existing systems. The coupled CFD and kinetic computer code are used in combination with data obtained from a matrix of experimental tests to extract the kinetic constants. Local fluid dynamic effects are implicitly included in the extracted local kinetic constants for each particular application system to which the methodology is applied. The extracted local kinetic model constants work well over a fairly broad range of operating conditions for specific and complex reaction sets in specific and complex reactor systems. While disclosed in terms of use in a Fluid Catalytic Cracking (FCC) riser, the inventive methodology has application in virtually any reaction set to extract constants for any particular application and reaction set formulation. The methodology includes the step of: (1) selecting the test data sets for various conditions; (2) establishing the general trend of the parametric effect on the measured product yields; (3) calculating product yields for the selected test conditions using coupled computational fluid dynamics and chemical kinetics; (4) adjusting the local kinetic constants to match calculated product yields with experimental data; and (5) validating the determined set of local kinetic constants by comparing the calculated results with experimental data from additional test runs at different operating conditions.

  7. Seismic Soil-Structure Interaction Analyses of a Deeply Embedded Model Reactor – SASSI Analyses

    SciTech Connect (OSTI)

    Nie J.; Braverman J.; Costantino, M.

    2013-10-31

    This report summarizes the SASSI analyses of a deeply embedded reactor model performed by BNL and CJC and Associates, as part of the seismic soil-structure interaction (SSI) simulation capability project for the NEAMS (Nuclear Energy Advanced Modeling and Simulation) Program of the Department of Energy. The SASSI analyses included three cases: 0.2 g, 0.5 g, and 0.9g, all of which refer to nominal peak accelerations at the top of the bedrock. The analyses utilized the modified subtraction method (MSM) for performing the seismic SSI evaluations. Each case consisted of two analyses: input motion in one horizontal direction (X) and input motion in the vertical direction (Z), both of which utilized the same in-column input motion. Besides providing SASSI results for use in comparison with the time domain SSI results obtained using the DIABLO computer code, this study also leads to the recognition that the frequency-domain method should be modernized so that it can better serve its mission-critical role for analysis and design of nuclear power plants.

  8. Modeling precursor diffusion and reaction of atomic layer deposition in porous structures

    SciTech Connect (OSTI)

    Keuter, Thomas, E-mail: t.keuter@fz-juelich.de; Menzler, Norbert Heribert; Mauer, Georg; Vondahlen, Frank; Vaßen, Robert; Buchkremer, Hans Peter [Forschungszentrum Jülich, Institute of Energy and Climate Research (IEK-1), 52425 Jülich (Germany)

    2015-01-01

    Atomic layer deposition (ALD) is a technique for depositing thin films of materials with a precise thickness control and uniformity using the self-limitation of the underlying reactions. Usually, it is difficult to predict the result of the ALD process for given external parameters, e.g., the precursor exposure time or the size of the precursor molecules. Therefore, a deeper insight into ALD by modeling the process is needed to improve process control and to achieve more economical coatings. In this paper, a detailed, microscopic approach based on the model developed by Yanguas-Gil and Elam is presented and additionally compared with the experiment. Precursor diffusion and second-order reaction kinetics are combined to identify the influence of the porous substrate's microstructural parameters and the influence of precursor properties on the coating. The thickness of the deposited film is calculated for different depths inside the porous structure in relation to the precursor exposure time, the precursor vapor pressure, and other parameters. Good agreement with experimental results was obtained for ALD zirconiumdioxide (ZrO{sub 2}) films using the precursors tetrakis(ethylmethylamido)zirconium and O{sub 2}. The derivation can be adjusted to describe other features of ALD processes, e.g., precursor and reactive site losses, different growth modes, pore size reduction, and surface diffusion.

  9. Effect of Divalent Cation Removal on the Structure of Gram-Negative Bacterial Outer Membrane Models

    SciTech Connect (OSTI)

    Clifton, Luke A.; Skoda, Maximilian W. A.; Le Brun, Anton P.; Ciesielski, Filip; Kuzmenko, Ivan; Holt, Stephen A.; Lakey, Jeremy H.

    2014-12-09

    The Gram-negative bacterial outer membrane (GNB-OM) is asymmetric in its lipid composition with a phospholipid-rich inner leaflet and an outer leaflet predominantly composed of lipopolysaccharides (LPS). LPS are polyanionic molecules, with numerous phosphate groups present in the lipid A and core oligosaccharide regions. The repulsive forces due to accumulation of the negative charges are screened and bridged by the divalent cations (Mg2+ and Ca2+) that are known to be crucial for the integrity of the bacterial OM. Indeed, chelation of divalent cations is a well-established method to permeabilize Gram-negative bacteria such as Escherichia coli. Here, we use X-ray and neutron reflectivity (XRR and NR, respectively) techniques to examine the role of calcium ions in the stability of a model GNB-OM. Using XRR we show that Ca2+ binds to the core region of the rough mutant LPS (RaLPS) films, producing more ordered structures in comparison to divalent cation free monolayers. Using recently developed solid-supported models of the GNB-OM, we study the effect of calcium removal on the asymmetry of DPPC:RaLPS bilayers. We show that without the charge screening effect of divalent cations, the LPS is forced to overcome the thermodynamically unfavorable energy barrier and flip across the hydrophobic bilayer to minimize the repulsive electrostatic forces, resulting in about 20% mixing of LPS and DPPC between the inner and outer bilayer leaflets. These results reveal for the first time the molecular details behind the well-known mechanism of outer membrane stabilization by divalent cations. This confirms the relevance of the asymmetric models for future studies of outer membrane stability and antibiotic penetration.

  10. Effect of Divalent Cation Removal on the Structure of Gram-Negative Bacterial Outer Membrane Models

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

    Clifton, Luke A.; Skoda, Maximilian W. A.; Le Brun, Anton P.; Ciesielski, Filip; Kuzmenko, Ivan; Holt, Stephen A.; Lakey, Jeremy H.

    2014-12-09

    The Gram-negative bacterial outer membrane (GNB-OM) is asymmetric in its lipid composition with a phospholipid-rich inner leaflet and an outer leaflet predominantly composed of lipopolysaccharides (LPS). LPS are polyanionic molecules, with numerous phosphate groups present in the lipid A and core oligosaccharide regions. The repulsive forces due to accumulation of the negative charges are screened and bridged by the divalent cations (Mg2+ and Ca2+) that are known to be crucial for the integrity of the bacterial OM. Indeed, chelation of divalent cations is a well-established method to permeabilize Gram-negative bacteria such as Escherichia coli. Here, we use X-ray and neutronmore »reflectivity (XRR and NR, respectively) techniques to examine the role of calcium ions in the stability of a model GNB-OM. Using XRR we show that Ca2+ binds to the core region of the rough mutant LPS (RaLPS) films, producing more ordered structures in comparison to divalent cation free monolayers. Using recently developed solid-supported models of the GNB-OM, we study the effect of calcium removal on the asymmetry of DPPC:RaLPS bilayers. We show that without the charge screening effect of divalent cations, the LPS is forced to overcome the thermodynamically unfavorable energy barrier and flip across the hydrophobic bilayer to minimize the repulsive electrostatic forces, resulting in about 20% mixing of LPS and DPPC between the inner and outer bilayer leaflets. These results reveal for the first time the molecular details behind the well-known mechanism of outer membrane stabilization by divalent cations. This confirms the relevance of the asymmetric models for future studies of outer membrane stability and antibiotic penetration.« less

  11. Modeling, Analysis, and Preservation Techniques for Historic Reinforced Concrete Structures in Seismic Prone Regions Case Study: Augusta Airship Hangar, Sicily

    SciTech Connect (OSTI)

    Cronin, Kelly; Whyte, Catherine [University of California at Berkeley, Department of Civil and Environmental Engineering, 760 Davis Hall (United States); Reiner, Tom [Graduate Engineer, Buro Happold Consulting Engineers, Inc., 9601 Jefferson Blvd., Suite B, Culver City, CA 90232 (United States)

    2008-07-08

    Throughout the world there are hundreds of historic monuments and structures considered to be invaluable and irreplaceable. They are symbols of cultural identity and a means of educating people about history. Preservation of historic monuments and structures is therefore an important part of safeguarding these cultural heritage sites so that they retain their value for future generations.This report discusses a procedure for the investigation of seismic hazards in existing buildings and possible steps that can be taken to avoid damage caused by these hazards. The Augusta Airship Hangar located in Sicily, will be used as a case study however the topics addressed in this paper can be applied to other structures of historic value around the world.First state-of-the-art scanning procedures were used to create scale digital models that were imported into a structural analysis program. Within this program dynamic analyses were performed on the model based on actual ground motions taken close to the site. This data was used to determine the period and mode shapes of the structure. Then a nonlinear analysis, including a static pushover analysis, was implemented on a two-dimensional model of the structural frame. From this analysis the failure mechanisms of the structure were revealed with relation to an allowable roof displacement. The structural integrity of the structure was evaluated based on pre-defined performance goals. Finally multiple suggestions were made how the Augusta Airship Hangar might be repaired and strengthened so that this structure will not be destroyed should an earthquake occur.The results of our study show that historic structures, despite their age, can still be strong and ductile. Also there are a multitude of effective preservation and retrofit techniques that can be used to strengthen these historic structures, should an earthquake occur. Through this study, the Augusta Airship Hangar has proven to be not only a historic symbol for Sicily but also can be used as an example for the rehabilitation of other historic structures. The techniques and processes discussed in this paper can be applied to other historic reinforced concrete structures and can be expanded upon in future investigations.

  12. Evidences for and the models of self-similar skeletal structures in fusion devices, severe weather phenomena and space

    E-Print Network [OSTI]

    Kukushkin, A B

    2005-01-01

    The paper briefly reviews (i) the evidences for self-similar structures of a skeletal form (namely, tubules and cartwheels, and their simplest combinations), called the Universal Skeletal Structures (USS), observed in the range 10-5 cm - 1023 cm. in the high-current electric discharges in various fusion devices, severe weather phenomena, and space, (ii) the models for interpreting the phenomenon of skeletal structures, including the hypothesis for a fractal condensed matter (FCM), assembled from nanotubular dust, and (iii) probable role of FCM, which might be responsible for the USS phenomenon, in tornado, ball lightning, and waterspout.

  13. June 1, 2009 23:55 WSPC/Trim Size: 11in x 8.5in for Proceedings joint MODELING AND INFERENCE OF SEQUENCE-STRUCTURE SPECIFICITY

    E-Print Network [OSTI]

    Langmead, Christopher James

    for the native structure against alternate backbone structures. In a case study of WW domains, we show models to identify sequences with low internal energies for a prescribed backbone structure 4, 20 the target structure over alternatives. A few algo- rithms have been proposed to address the issue of speci

  14. 2010 Diffraction Methods in Structural Biology

    SciTech Connect (OSTI)

    Dr. Ana Gonzalez

    2011-03-10

    Advances in basic methodologies have played a major role in the dramatic progress in macromolecular crystallography over the past decade, both in terms of overall productivity and in the increasing complexity of the systems being successfully tackled. The 2010 Gordon Research Conference on Diffraction Methods in Structural Biology will, as in the past, focus on the most recent developments in methodology, covering all aspects of the process from crystallization to model building and refinement, complemented by examples of structural highlights and complementary methods. Extensive discussion will be encouraged and it is hoped that all attendees will participate by giving oral or poster presentations, the latter using the excellent poster display area available at Bates College. The relatively small size and informal atmosphere of the meeting provides an excellent opportunity for all participants, especially younger scientists, to meet and exchange ideas with leading methods developers.

  15. A Methodology for Using Assistive Sketch Recognition For Improving a Person’s Ability to Draw 

    E-Print Network [OSTI]

    Dixon, Daniel M.

    2010-07-14

    for this methodology, the result is a computer application that can guide a person toward producing his/her own sketch of a human model in a reference photograph with step-bystep instruction and computer generated feedback....

  16. The process of resort second home development demand quantification : exploration of methodologies and case study application

    E-Print Network [OSTI]

    Wholey, Christopher J. (Christoper John)

    2011-01-01

    Prevalent methodologies utilized by resort second home development professionals to quantify demand for future projects are identified and critiqued. The strengths of each model are synthesized in order to formulate an ...

  17. Building Energy Performance Analysis of an Academic Building Using IFC BIM-Based Methodology 

    E-Print Network [OSTI]

    Aziz, Z.; Arayici, Y.; Shivachev, D.

    2012-01-01

    This paper discusses the potential to use an Industry Foundation Classes (IFC)/Building Information Modelling (BIM) based method to undertake Building Energy Performance analysis of an academic building. BIM/IFC based methodology provides a...

  18. DOE Challenge Home Label Methodology

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

    the core value messages of the DOE Challenge Home The model for the label compares building science and quality measures of a DOE Challenge Home in six major categories to both...

  19. Considerations for realistic ECCS evaluation methodology for LWRs

    SciTech Connect (OSTI)

    Rohatgi, U.S.; Saha, P.; Chexal, V.K.

    1985-01-01

    This paper identifies the various phenomena which govern the course of large and small break LOCAs in LWRs, and affect the key parameters such as Peak Clad Temperature (PCT) and timing of the end of blowdown, beginning of reflood, PCT, and complete quench. A review of the best-estimate models and correlations for these phenomena in the current literature has been presented. Finally, a set of models have been recommended which may be incorporated in a present best-estimate code such as TRAC or RELAP5 in order to develop a realistic ECCS evaluation methodology for future LWRs and have also been compared with the requirements of current ECCS evaluation methodology as outlined in Appendix K of 10CFR50. 58 refs.

  20. Phase structure and Higgs boson mass in a Higgs-Yukawa model with a dimension-6 operator

    E-Print Network [OSTI]

    David Y. -J. Chu; Karl Jansen; Bastian Knippschild; C. -J. David Lin; Kei-Ichi Nagai; Attila Nagy

    2015-01-01

    We investigate the impact of a $\\lambda_6 \\varphi^6$ term included in a chirally invariant lattice Higgs-Yukawa model. Such a term could emerge from BSM physics at some larger energy scale. We map out the phase structure of the Higgs-Yukawa model with positive $\\lambda_6$ and negative quartic self coupling of the scalar fields. To this end, we evaluate the constraint effective potential in lattice perturbation theory and also determine the magnetization of the model via numerical simulations which allow us to reach also non-perturbative values of the couplings. As a result, we find a complex phase structure with first and second order phase transitions identified through the magnetization. Further we analyze the effect of such a $\\varphi^6$ term on the lower Higgs boson mass bound to see, whether the standard model lower mass bound can be altered.

  1. Implications of Model Structure and Detail for Utility Planning. Scenario Case Studies using the Resource Planning Model

    SciTech Connect (OSTI)

    Mai, Trieu; Barrows, Clayton; Lopez, Anthony; Hale, Elaine; Dyson, Mark; Eurek, Kelly

    2015-04-23

    We examine how model investment decisions change under different model configurations and assumptions related to renewable capacity credit, the inclusion or exclusion of operating reserves, dispatch period sampling, transmission power flow modeling, renewable spur line costs, and the ability of a planning region to import and export power. For all modeled scenarios, we find that under market conditions where new renewable deployment is predominantly driven by renewable portfolio standards, model representations of wind and solar capacity credit and interactions between balancing areas are most influential in avoiding model investments in excess thermal capacity. We also compare computation time between configurations to evaluate tradeoffs between computational burden and model accuracy. From this analysis, we find that certain advanced dispatch representations (e.g., DC optimal power flow) can have dramatic adverse effects on computation time but can be largely inconsequential to model investment outcomes, at least at the renewable penetration levels modeled. Finally, we find that certain underappreciated aspects of new capacity investment decisions and model representations thereof, such as spur lines for new renewable capacity, can influence model outcomes particularly in the renewable technology and location chosen by the model. Though this analysis is not comprehensive and results are specific to the model region, input assumptions, and optimization-modeling framework employed, the findings are intended to provide a guide for model improvement opportunities.

  2. Cogeneration Assessment Methodology for Utilities 

    E-Print Network [OSTI]

    Sedlik, B.

    1983-01-01

    will cause the errors to vary in an unpredictable fashion. 312 ESL-IE-83-04-48 Proceedings from the Fifth Industrial Energy Conservation Technology Conference Volume 1, Houston, TX, April 17-20, 1983 MAIL SURVEY COGENERATION NEVER CONSIDERED COGENERATORS... Structure Figure 5 presents the overall Dames &. Moor l survey design. There are several salient features associated with this multistage approach. The thre~ principal stages are a preliminary mail questionnaire tq all large demand customers...

  3. Regional issue identification and assessment: study methodology. First annual report

    SciTech Connect (OSTI)

    Not Available

    1980-01-01

    The overall assessment methodologies and models utilized for the first project under the Regional Issue Identification and Assessment (RIIA) program are described. Detailed descriptions are given of the methodologies used by lead laboratories for the quantification of the impacts of an energy scenario on one or more media (e.g., air, water, land, human and ecology), and by all laboratories to assess the regional impacts on all media. The research and assessments reflected in this document were performed by the following national laboratories: Argonne National Laboratory; Brookhaven National Laboratory; Lawrence Berkeley Laboratory; Los Alamos Scientific Laboratory; Oak Ridge National Laboratory; and Pacific Northwest Laboratory. This report contains five chapters. Chapter 1 briefly describes the overall study methodology and introduces the technical participants. Chapter 2 is a summary of the energy policy scenario selected for the RIIA I study and Chapter 3 describes how this scenario was translated into a county-level siting pattern of energy development. The fourth chapter is a detailed description of the individual methodologies used to quantify the environmental and socioeconomic impacts of the scenario while Chapter 5 describes how these impacts were translated into comprehensive regional assessments for each Federal Region.

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

    SciTech Connect (OSTI)

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

    2009-07-06

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

  5. Flammability Assessment Methodology Program Phase I: Final Report

    SciTech Connect (OSTI)

    C. A. Loehr; S. M. Djordjevic; K. J. Liekhus; M. J. Connolly

    1997-09-01

    The Flammability Assessment Methodology Program (FAMP) was established to investigate the flammability of gas mixtures found in transuranic (TRU) waste containers. The FAMP results provide a basis for increasing the permissible concentrations of flammable volatile organic compounds (VOCs) in TRU waste containers. The FAMP results will be used to modify the ''Safety Analysis Report for the TRUPACT-II Shipping Package'' (TRUPACT-II SARP) upon acceptance of the methodology by the Nuclear Regulatory Commission. Implementation of the methodology would substantially increase the number of drums that can be shipped to the Waste Isolation Pilot Plant (WIPP) without repackaging or treatment. Central to the program was experimental testing and modeling to predict the gas mixture lower explosive limit (MLEL) of gases observed in TRU waste containers. The experimental data supported selection of an MLEL model that was used in constructing screening limits for flammable VOC and flammable gas concentrations. The MLEL values predicted by the model for individual drums will be utilized to assess flammability for drums that do not meet the screening criteria. Finally, the predicted MLEL values will be used to derive acceptable gas generation rates, decay heat limits, and aspiration time requirements for drums that do not pass the screening limits. The results of the program demonstrate that an increased number of waste containers can be shipped to WIPP within the flammability safety envelope established in the TRUPACT-II SARP.

  6. Modeling and fabrication of self-assembling micron-scale rollup structures

    E-Print Network [OSTI]

    Cybulski, James Stanley, 1979-

    2004-01-01

    Self-assembling micron-scale structures based on standard photolithographic and thin film deposition techniques are investigated. Differences in residual stress between successive thin film layers causes the structures to ...

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

    E-Print Network [OSTI]

    Mukherjee, Srayanta

    2011-12-31

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

  8. Modeling of the interaction of a volumetric metallic metamaterial structure with a relativistic electron beam

    E-Print Network [OSTI]

    Lu, Xueying

    We present the design of a volumetric metamaterial (MTM) structure and its interaction with a relativistic electron beam. This novel structure has promising applications in particle beam diagnostics, acceleration, and ...

  9. Staggered grid lagrangian method with local structured adaptive mesh refinement for modeling shock hydrodynamics

    SciTech Connect (OSTI)

    Anderson, R W; Pember, R B; Elliot, N S

    2000-09-26

    A new method for the solution of the unsteady Euler equations has been developed. The method combines staggered grid Lagrangian techniques with structured local adaptive mesh refinement (AMR). This method is a precursor to a more general adaptive arbitrary Lagrangian Eulerian (ALE-AMR) algorithm under development, which will facilitate the solution of problems currently at and beyond the boundary of soluble problems by traditional ALE methods by focusing computational resources where they are required. Many of the core issues involved in the development of the ALE-AMR method hinge upon the integration of AMR with a Lagrange step, which is the focus of the work described here. The novel components of the method are mainly driven by the need to reconcile traditional AMR techniques, which are typically employed on stationary meshes with cell-centered quantities, with the staggered grids and grid motion employed by Lagrangian methods. These new algorithmic components are first developed in one dimension and are then generalized to two dimensions. Solutions of several model problems involving shock hydrodynamics are presented and discussed.

  10. The fine structure of the entanglement entropy in the classical XY model

    E-Print Network [OSTI]

    Li-Ping Yang; Yuzhi Liu; Haiyuan Zou; Z. Y. Xie; Y. Meurice

    2015-07-13

    We compare two calculations of the particle density in the superfluid phase of the classical XY model with a chemical potential $\\mu$ in 1+1 dimensions.The first relies on exact blocking formulas from the Tensor Renormalization Group (TRG) formulation of the transfer matrix. The second is a worm algorithm. We show that the particle number distributions obtained with the two methods agree well. We use the TRG method to calculate the thermal entropy and the entanglement entropy. We describe the particle density, the two entropies and the topology of the world lines as we increase $\\mu$ to go across the superfluid phase between the first two Mott insulating phases. For a sufficiently large temporal size, this process reveals an interesting fine structure: the average particle number and the winding number of most of the world lines in the Euclidean time direction increase by one unit at a time. At each step, the thermal entropy develops a peak and the entanglement entropy increases until we reach half-filling and then decreases in a way that approximately mirror the ascent. This suggests an approximate fermionic picture.

  11. Phase structure and the gluon propagator of SU(2) gauge-Higgs model in two dimensions

    E-Print Network [OSTI]

    Shinya Gongyo; Daniel Zwanziger

    2015-01-26

    We study numerically the phase structure and the gluon propagator of the SU(2) gauge-Higgs model in two dimensions. First, we calculate gauge-invariant quantities, in particular the static potential from Wilson Loop, the W propagator, and the plaquette expectation value. Our results suggest that a confinement-like region and a Higgs-like region appear even in two dimensions. In the confinement-like region, the static potential rises linearly, with string breaking at large distances, while in the Higgs-like region, it is of Yukawa type, consistent with a Higgs-type mechanism. The correlation length obtained from the W propagator has a finite maximum between these regions. The plaquette expectation value shows a smooth cross-over consistent with the Fradkin-Shenker-Osterwalder-Seiler theorem. From these results, we suggest that there is no phase transition in two dimensions. We also calculate a gauge-dependent order parameter in Landau gauge. Unlike gauge invariant quantities, the gauge non-invariant order parameter has a line of discontinuity separating these two regions. Finally we calculate the gluon propagtor. We infer from its infrared behavior that the gluon propagator would vanish at zero momentum in the infinite-volume limit, consistent with an analytical study.

  12. Oxygen reduction by lithium on model carbon and oxidized carbon structures

    SciTech Connect (OSTI)

    Xu, Ye [ORNL; Shelton Jr, William Allison [ORNL

    2011-01-01

    Li-air batteries have attracted substantial interest for their high theoretical specific energies, but the oxygen reduction reaction by Li (Li-ORR) that occurs at the carbon cathode remains poorly understood. Periodic density functional theory calculations have been performed to examine the Li-ORR on several model carbon structures, including the graphite(0001) basal plane, the (8,0) single-wall nanotube, the armchair-type edge, and a di-vacancy in the basal plane. The inertness of the basal plane limits the reversible potential of O{sub 2} reduction to 1.1 V, and slightly higher to 1.2 V on the curved nanotube. The armchair edge and di-vacancy are highly reactive and significantly oxidized at ambient conditions to various CO{sub x} groups, which are reduced by Li via redox mechanisms at 1.2-1.4 V. These CO{sub x} groups can also catalyze O{sub 2} reduction at up to 2.3 V (an overpotential of 0.4 V vs. the calculated equilibrium potential for bulk Li{sub 2}O{sub 2} formation) by chelating and stabilizing the LiO{sub 2} intermediate. The Li-ORR on graphitic carbon, if via concerted Li{sup +}/e{sup -} transfer and involving carbon, lithium, and oxygen only, is therefore expected to initiate with the smallest overpotential at under-coordinated carbon centers that are oxidized at ambient conditions.

  13. Methodology comparison for canopy structure parameters extraction from digital hemispherical

    E-Print Network [OSTI]

    Nassar, Ray

    , Canada, Scandinavia and Alaska. This biome type is greatly affected by global warming, as it is limited). However, calibration of global LAI maps requires many more ground truth points than currently available. Introduction The boreal forest covers about one third of the global forested area and can be found in Russia

  14. Very short-term wind speed forecasting with Bayesian structural break model , Zhe Song a,*, Andrew Kusiak b

    E-Print Network [OSTI]

    Kusiak, Andrew

    of the wind industry, such as wind turbine predictive control [2,3], wind power grid integration and economic July 2012 Available online Keywords: Time series Forecasting Wind power Wind speed Bayesian structural applications, such as wind turbine predictive control, wind power scheduling. The proposed model is tested

  15. Structural Bioinformatics Today you will learn how to use the Sybyl molecular modeling package. You will learn

    E-Print Network [OSTI]

    Kerrigan, John, E.

    1 Structural Bioinformatics Today you will learn how to use the Sybyl molecular modeling package. Use Compute > Charges > MMFF94... > Change Formal Charges? Click No The atoms should now be labeled with partial atomic charges. To remove these labels, use the button to change the labels. You will see

  16. The Flow of Excitation Energy in LHCII Monomers: Implications for the Structural Model of the Major Plant Antenna

    E-Print Network [OSTI]

    van Stokkum, Ivo

    the ability to convert solar energy into chemical energy (stored in the form of ATP and NADPH), whichThe Flow of Excitation Energy in LHCII Monomers: Implications for the Structural Model of the Major Plant Antenna Claudiu C. Gradinaru,* Sevgi O¨ zdemir,# Demet Gu¨ len,# Ivo H.M. van Stokkum,* Rienk van

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

    E-Print Network [OSTI]

    Lin, C.-Y. Cynthia

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

  18. Methodology for Estimating Solar Potential on Multiple Building Rooftops for Photovoltaic Systems

    SciTech Connect (OSTI)

    Kodysh, Jeffrey B [ORNL; Omitaomu, Olufemi A [ORNL; Bhaduri, Budhendra L [ORNL; Neish, Bradley S [ORNL

    2013-01-01

    In this paper, a methodology for estimating solar potential on multiple building rooftops is presented. The objective of this methodology is to estimate the daily or monthly solar radiation potential on individual buildings in a city/region using Light Detection and Ranging (LiDAR) data and a geographic information system (GIS) approach. Conceptually, the methodology is based on the upward-looking hemispherical viewshed algorithm, but applied using an area-based modeling approach. The methodology considers input parameters, such as surface orientation, shadowing effect, elevation, and atmospheric conditions, that influence solar intensity on the earth s surface. The methodology has been implemented for some 212,000 buildings in Knox County, Tennessee, USA. Based on the results obtained, the methodology seems to be adequate for estimating solar radiation on multiple building rooftops. The use of LiDAR data improves the radiation potential estimates in terms of the model predictive error and the spatial pattern of the model outputs. This methodology could help cities/regions interested in sustainable projects to quickly identify buildings with higher potentials for roof-mounted photovoltaic systems.

  19. Geologic selection methodology for transportation corridor routing 

    E-Print Network [OSTI]

    Shultz, Karin Wilson

    2002-01-01

    A lack of planning techniques and processes on long, linear, cut and cover-tunneling route transportation systems has resulted because of the advancement of transportation systems into underground corridors. The proposed methodology is tested...

  20. Limitations with Activity Recognition Methodology & Data Sets

    E-Print Network [OSTI]

    Weiss, Gary

    raw AR sensor data, but the methodology used to build and evaluate AR systems. In this paper we focus, not just in metadata associated with the data sets. A key concern of this paper is not just the underlying

  1. A Monte Carlo Investigation of Three Different Estimation Methods in Multilevel Structural Equation Modeling Under Conditions of Data Nonnormality and Varied Sample Sizes 

    E-Print Network [OSTI]

    Byrd, Jimmy

    2010-01-14

    The purpose of the study was to examine multilevel regression models in the context of multilevel structural equation modeling (SEM) in terms of accuracy of parameter estimates, standard errors, and fit indices in normal ...

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

    E-Print Network [OSTI]

    Ilic, Marija

    1995-01-01

    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 ...

  3. Fracture of Thermosetting Polymers: Experiments and Modeling 

    E-Print Network [OSTI]

    Benzerga, Amine; Burgess, Brad

    2011-08-04

    of a resin known as epoxy E862, which is a polymer resin currently explored by NASA researchers, and then model this behavior using FEM. In the early 1990's, successful computational methodologies for modeling fracture of metal-matrix composites... of Aerospace Engineering Aircraft are becoming extremely complex in the modern age. Fueled by the advent of new technology, a modern plane?s makeup and structure are changing considerably. Recently the idea to utilize a greater amount of composite...

  4. Risk Assessment of Cascading Outages: Methodologies and Challenges

    SciTech Connect (OSTI)

    Vaiman, Marianna; Bell, Keith; Chen, Yousu; Chowdhury, Badrul; Dobson, Ian; Hines, Paul; Papic, Milorad; Miller, Stephen; Zhang, Pei

    2012-05-31

    Abstract- This paper is a result of ongoing activity carried out by Understanding, Prediction, Mitigation and Restoration of Cascading Failures Task Force under IEEE Computer Analytical Methods Subcommittee (CAMS). The task force's previous papers are focused on general aspects of cascading outages such as understanding, prediction, prevention and restoration from cascading failures. This is the first of two new papers, which extend this previous work to summarize the state of the art in cascading failure risk analysis methodologies and modeling tools. This paper is intended to be a reference document to summarize the state of the art in the methodologies for performing risk assessment of cascading outages caused by some initiating event(s). A risk assessment should cover the entire potential chain of cascades starting with the initiating event(s) and ending with some final condition(s). However, this is a difficult task and heuristic approaches and approximations have been suggested. This paper discusses different approaches to this and suggests directions for future development of methodologies. The second paper summarizes the state of the art in modeling tools for risk assessment of cascading outages.

  5. Aeroelastic Modeling of Offshore Turbines and Support Structures in Hurricane-Prone Regions (Poster)

    SciTech Connect (OSTI)

    Damiani, R.

    2014-03-01

    US offshore wind turbines (OWTs) will likely have to contend with hurricanes and the associated loading conditions. Current industry standards do not account for these design load cases (DLCs), thus a new approach is required to guarantee that the OWTs achieve an appropriate level of reliability. In this study, a sequentially coupled aero-hydro-servo-elastic modeling technique was used to address two design approaches: 1.) The ABS (American Bureau of Shipping) approach; and 2.) The Hazard Curve or API (American Petroleum Institute) approach. The former employs IEC partial load factors (PSFs) and 100-yr return-period (RP) metocean events. The latter allows setting PSFs and RP to a prescribed level of system reliability. The 500-yr RP robustness check (appearing in [2] and [3] upcoming editions) is a good indicator of the target reliability for L2 structures. CAE tools such as NREL's FAST and Bentley's' SACS (offshore analysis and design software) can be efficiently coupled to simulate system loads under hurricane DLCs. For this task, we augmented the latest FAST version (v. 8) to include tower aerodynamic drag that cannot be ignored in hurricane DLCs. In this project, a 6 MW turbine was simulated on a typical 4-legged jacket for a mid-Atlantic site. FAST-calculated tower base loads were fed to SACS at the interface level (transition piece); SACS added hydrodynamic and wind loads on the exposed substructure, and calculated mudline overturning moments, and member and joint utilization. Results show that CAE tools can be effectively used to compare design approaches for the design of OWTs in hurricane regions and to achieve a well-balanced design, where reliability levels and costs are optimized.

  6. Structural Model of the Basement in the Central Savannah River Area, South Carolina and Georgia

    SciTech Connect (OSTI)

    Stephenson, D. [Westinghouse Savannah River Company, AIKEN, SC (United States); Stieve, A.

    1992-03-01

    Interpretation of several generations of seismic reflection data and potential field data suggests the presence of several crustal blocks within the basement beneath the Coastal Plain in the Central Savannah River Area (CSRA). The seismic reflection and refraction data include a grid of profiles that capture shallow and deep reflection events and traverse the Savannah River Site and vicinity. Potential field data includes aeromagnetic, ground magnetic surveys, reconnaissance and detailed gravity surveys. Subsurface data from recovered core are used to constrain the model.Interpretation of these data characteristically indicate a southeast dipping basement surface with some minor highs and lows suggesting an erosional pre-Cretaceous unconformity. This surface is interrupted by several basement faults, most of which offset only early Cretaceous sedimentary horizons overlying the erosional surface. The oldest fault is perhaps late Paleozoic because it is truncated at the basement/Coastal Plain interface. This fault is related in timing and mechanism to the underlying Augusta fault. The youngest faults deform Coastal Plain sediments of at least Priabonian age (40-36.6 Ma). One of these young faults is the Pen Branch faults, identified as the southeast dipping master fault for the Triassic Dunbarton basin. All the Cenozoic faults are probably related in time and mechanism to the nearby, well studied Belair fault.The study area thus contains a set of structures evolved from the Alleghanian orogeny through Mesozoic extension to Cenozoic readjustment of the crust. There is a metamorphosed crystalline terrane with several reflector/fault packages, a reactivated Triassic basin, a mafic terrane separating the Dunbarton basin from the large South Georgia basin to the southeast, and an overprint of reverse faults, some reactivated, and some newly formed.

  7. Probabilistic Based Design Methodology for Solid Oxide Fuel Cell Stacks

    SciTech Connect (OSTI)

    Sun, Xin; Tartakovsky, Alexandre M.; Khaleel, Mohammad A.

    2009-05-01

    A probabilistic-based component design methodology is developed for solid oxide fuel cell (SOFC) stack. This method takes into account the randomness in SOFC material properties as well as the stresses arising from different manufacturing and operating conditions. The purpose of this work is to provide the SOFC designers a design methodology such that desired level of component reliability can be achieved with deterministic design functions using an equivalent safety factor to account for the uncertainties in material properties and structural stresses. Multi-physics-based finite element analyses were used to predict the electrochemical and thermal mechanical responses of SOFC stacks with different geometric variations and under different operating conditions. Failures in the anode and the seal were used as design examples. The predicted maximum principal stresses in the anode and the seal were compared with the experimentally determined strength characteristics for the anode and the seal respectively. Component failure probabilities for the current design were then calculated under different operating conditions. It was found that anode failure probability is very low under all conditions examined. The seal failure probability is relatively high, particularly for high fuel utilization rate under low average cell temperature. Next, the procedures for calculating the equivalent safety factors for anode and seal were demonstrated such that uniform failure probability of the anode and seal can be achieved. Analysis procedures were also included for non-normal distributed random variables such that more realistic distributions of strength and stress can be analyzed using the proposed design methodology.

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

    SciTech Connect (OSTI)

    Reinhold H. Dauskardt

    2005-08-30

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

  9. Motivation Methodology Conclusions A Fault Tolerance Bisimulation Proof for

    E-Print Network [OSTI]

    Francalanza, Adrian

    Motivation Methodology Conclusions A Fault Tolerance Bisimulation Proof for Consensus Adrian of Somewhere and Elsewhere A Fault Tolerance Bisimulation Proof for Consensus #12;Motivation Methodology Conclusions Outline 1 Motivation 2 Methodology 3 Conclusions Adrian Francalanza, Matthew Hennessy Universities

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

    E-Print Network [OSTI]

    Karplus, Kevin

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

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

    E-Print Network [OSTI]

    Boyer, Edmond

    strain can be valuable indicator of such changes. KEYWORDS : offshore support structure, wind turbine depth of 50 m. Bigger size wind turbines are now designed in order to produce more electrical power than. On the other hand the problems connected with structural health monitoring (SHM) of offshore wind turbines have

  12. New Methodologies for Analysis of Premixed Charge Compression...

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

    New Methodologies for Analysis of Premixed Charge Compression Ignition Engines New Methodologies for Analysis of Premixed Charge Compression Ignition Engines Presentation given at...

  13. Biopower Report Presents Methodology for Assessing the Value...

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

    Report Presents Methodology for Assessing the Value of Co-Firing Biomass in Pulverized Coal Plants Biopower Report Presents Methodology for Assessing the Value of Co-Firing...

  14. Methodology for Estimating Reductions of GHG Emissions from Mosaic...

    Open Energy Info (EERE)

    Methodology for Estimating Reductions of GHG Emissions from Mosaic Deforestation Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Methodology for Estimating Reductions of...

  15. Hydrogen Program Goal-Setting Methodologies Report to Congress...

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

    to Congress, published in August 2006, focuses on the methodologies used by the DOE Hydrogen Program for goal-setting. Hydrogen Program Goal-Setting Methodologies Report to...

  16. Barr Engineering Statement of Methodology Rosemount Wind Turbine...

    Energy Savers [EERE]

    Barr Engineering Statement of Methodology Rosemount Wind Turbine Simulations by Truescape Visual Reality, DOEEA-1791 (May 2010) Barr Engineering Statement of Methodology Rosemount...

  17. Methodology for Carbon Accounting of Grouped Mosaic and Landscape...

    Open Energy Info (EERE)

    Mosaic and Landscape-scale REDD Projects Screenshot References: Methodology for Carbon Accounting of Grouped Mosaic and Landscape-scale REDD Projects1 "This methodology sets...

  18. Validation of Hydrogen Exchange Methodology on Molecular Sieves...

    Office of Environmental Management (EM)

    Validation of Hydrogen Exchange Methodology on Molecular Sieves for Tritium Removal from Contaminated Water Validation of Hydrogen Exchange Methodology on Molecular Sieves for...

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

    E-Print Network [OSTI]

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

    2015-03-27

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

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

    E-Print Network [OSTI]

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

    2015-01-01

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

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

    E-Print Network [OSTI]

    Mieloszyk, Alexander James

    2012-01-01

    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 ...

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

    E-Print Network [OSTI]

    Li, Ke

    2012-02-14

    functions or any function of independent variables within the suggested frameworks. Also shown was that adopting suggested models could greatly increase predictive accuracy through simulations. In the second essay we generalized the suggested models...

  3. Childhood sexual abuse, body image, and disordered eating: a structural modeling analysis 

    E-Print Network [OSTI]

    Williams, Tara Lyn

    1998-01-01

    Based on previous literature, a model of the Micrographics. relationships between child sexual abuse (CSA), body image, dieting, bulimia, and ESD was proposed. The model specified that (a) child sexual abuse directly affects body image, (b) body...

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

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effect PhotovoltaicsStructure and Receptorsurvivor 8 Structure of theStructure

  5. Modifications to toxic CUG RNAs induce structural stability, rescue mis-splicing in a myotonic dystrophy cell model and reduce toxicity in a myotonic dystrophy zebrafish model

    SciTech Connect (OSTI)

    deLorimier, Elaine; Coonrod, Leslie A.; Copperman, Jeremy; Taber, Alex; Reister, Emily E.; Sharma, Kush; Todd, Peter K.; Guenza, Marina G.; Berglund, J. Andrew

    2014-10-10

    In this study, CUG repeat expansions in the 3' UTR of dystrophia myotonica protein kinase (DMPK) cause myotonic dystrophy type 1 (DM1). As RNA, these repeats elicit toxicity by sequestering splicing proteins, such as MBNL1, into protein–RNA aggregates. Structural studies demonstrate that CUG repeats can form A-form helices, suggesting that repeat secondary structure could be important in pathogenicity. To evaluate this hypothesis, we utilized structure-stabilizing RNA modifications pseudouridine (?) and 2'-O-methylation to determine if stabilization of CUG helical conformations affected toxicity. CUG repeats modified with ? or 2'-O-methyl groups exhibited enhanced structural stability and reduced affinity for MBNL1. Molecular dynamics and X-ray crystallography suggest a potential water-bridging mechanism for ?-mediated CUG repeat stabilization. ? modification of CUG repeats rescued mis-splicing in a DM1 cell model and prevented CUG repeat toxicity in zebrafish embryos. This study indicates that the structure of toxic RNAs has a significant role in controlling the onset of neuromuscular diseases.

  6. Modifications to toxic CUG RNAs induce structural stability, rescue mis-splicing in a myotonic dystrophy cell model and reduce toxicity in a myotonic dystrophy zebrafish model

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

    deLorimier, Elaine; Coonrod, Leslie A.; Copperman, Jeremy; Taber, Alex; Reister, Emily E.; Sharma, Kush; Todd, Peter K.; Guenza, Marina G.; Berglund, J. Andrew

    2014-10-10

    In this study, CUG repeat expansions in the 3' UTR of dystrophia myotonica protein kinase (DMPK) cause myotonic dystrophy type 1 (DM1). As RNA, these repeats elicit toxicity by sequestering splicing proteins, such as MBNL1, into protein–RNA aggregates. Structural studies demonstrate that CUG repeats can form A-form helices, suggesting that repeat secondary structure could be important in pathogenicity. To evaluate this hypothesis, we utilized structure-stabilizing RNA modifications pseudouridine (?) and 2'-O-methylation to determine if stabilization of CUG helical conformations affected toxicity. CUG repeats modified with ? or 2'-O-methyl groups exhibited enhanced structural stability and reduced affinity for MBNL1. Molecular dynamicsmore »and X-ray crystallography suggest a potential water-bridging mechanism for ?-mediated CUG repeat stabilization. ? modification of CUG repeats rescued mis-splicing in a DM1 cell model and prevented CUG repeat toxicity in zebrafish embryos. This study indicates that the structure of toxic RNAs has a significant role in controlling the onset of neuromuscular diseases.« less

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

    E-Print Network [OSTI]

    Thomas Buchert; Alvaro Dominguez

    1998-05-27

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

  8. Examining Commuting Times and Jobs-housing Imbalance in Seoul: An Empirical Analysis of Urban Spatial Structure 

    E-Print Network [OSTI]

    Jin, Sun Mi

    2012-10-19

    ......................................................................... 26 3.2 Methodology: Stratified Sampling and Multiple Regression Models ............................................................................... 28 4. RESULTS... and an additional fare is charged for each 5 km after an initial 10 km. The fare collection system for both the bus and subway has been through a smart card since 2009. Accordingly, the fare structure includes transfers, which guarantees free boarding within 30...

  9. Critical infrastructure systems of systems assessment methodology.

    SciTech Connect (OSTI)

    Sholander, Peter E.; Darby, John L.; Phelan, James M.; Smith, Bryan; Wyss, Gregory Dane; Walter, Andrew; Varnado, G. Bruce; Depoy, Jennifer Mae

    2006-10-01

    Assessing the risk of malevolent attacks against large-scale critical infrastructures requires modifications to existing methodologies that separately consider physical security and cyber security. This research has developed a risk assessment methodology that explicitly accounts for both physical and cyber security, while preserving the traditional security paradigm of detect, delay, and respond. This methodology also accounts for the condition that a facility may be able to recover from or mitigate the impact of a successful attack before serious consequences occur. The methodology uses evidence-based techniques (which are a generalization of probability theory) to evaluate the security posture of the cyber protection systems. Cyber threats are compared against cyber security posture using a category-based approach nested within a path-based analysis to determine the most vulnerable cyber attack path. The methodology summarizes the impact of a blended cyber/physical adversary attack in a conditional risk estimate where the consequence term is scaled by a ''willingness to pay'' avoidance approach.

  10. Discovering Block-Structured Process Models From Event Logs Containing Infrequent Behaviour

    E-Print Network [OSTI]

    van der Aalst, Wil

    behaviour, process discovery aims to find a process model that `best' describes this behaviour. A large and bottlenecks [17,15,4]. e d a b c f Figure 1: Unsound process model. The challenge in process discovery infrequent behaviour and challenge discovery algorithms, as a process model scoring well on all quality

  11. Structure of AgI-doped Ge-In-S glasses: Experiment, reverse Monte Carlo modelling, and density functional calculations

    SciTech Connect (OSTI)

    Chrissanthopoulos, A.; Jovari, P.; Kaban, I.; Gruner, S.; Kavetskyy, T.; Borc, J.; Wang, W.; Ren, J.; Chen, G.; Yannopoulos, S.N.

    2012-08-15

    We report an investigation of the structure and vibrational modes of Ge-In-S-AgI bulk glasses using X-ray diffraction, EXAFS spectroscopy, Reverse Monte-Carlo (RMC) modelling, Raman spectroscopy, and density functional theoretical (DFT) calculations. The combination of these techniques made it possible to elucidate the short- and medium-range structural order of these glasses. Data interpretation revealed that the AgI-free glass structure is composed of a network where GeS{sub 4/2} tetrahedra are linked with trigonal InS{sub 3/2} units; S{sub 3/2}Ge-GeS{sub 3/2} ethane-like species linked with InS{sub 4/2}{sup -} tetrahedra form sub-structures which are dispersed in the network structure. The addition of AgI into the Ge-In-S glassy matrix causes appreciable structural changes, enriching the Indium species with Iodine terminal atoms. The existence of trigonal species InS{sub 2/2}I and tetrahedral units InS{sub 3/2}I{sup -} and InS{sub 2/2}I{sub 2}{sup -} is compatible with the EXAFS and RMC analysis. Their vibrational properties (harmonic frequencies and Raman activities) calculated by DFT are in very good agreement with the experimental values determined by Raman spectroscopy. - Graphical abstract: Experiment (XRD, EXAFS, RMC, Raman scattering) and density functional calculations are employed to study the structure of AgI-doped Ge-In-S glasses. The role of mixed structural units as illustrated in the figure is elucidated. Highlights: Black-Right-Pointing-Pointer Doping Ge-In-S glasses with AgI causes significant changes in glass structure. Black-Right-Pointing-Pointer Experiment and DFT are combined to elucidate short- and medium-range structural order. Black-Right-Pointing-Pointer Indium atoms form both (InS{sub 4/2}){sup -} tetrahedra and InS{sub 3/2} planar triangles. Black-Right-Pointing-Pointer (InS{sub 4/2}){sup -} tetrahedra bond to (S{sub 3/2}Ge-GeS{sub 3/2}){sup 2+} ethane-like units forming neutral sub-structures. Black-Right-Pointing-Pointer Mixed chalcohalide species (InS{sub 3/2}I){sup -} offer vulnerable sites for the uptake of Ag{sup +}.

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    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

  13. A Structure-Controlled Model For Hot Spring Exploration In Taiwan...

    Open Energy Info (EERE)

    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...

  14. Evaluation of the Structure of Levee Transitions on Wave Runup and Overtopping by Physical Modeling 

    E-Print Network [OSTI]

    Oaks, Drake Benjamin

    2011-08-08

    Coastal regions are continually plagued by high water levels induced by river flooding or hurricane induced storm surges. As with any protective structure, it is essential to understand potential problematic regions which ...

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

    E-Print Network [OSTI]

    Menke, Matthew Ewald, 1978-

    2009-01-01

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

  16. Rapid Loss Modeling of Death and Downtime Caused By Earthquake Induced Damage to Structures 

    E-Print Network [OSTI]

    Ghorawat, Sandeep

    2012-07-16

    , a similar quantitative risk assessment technique is used to examine the indirect loss associated with death and downtime. The four-step approach is subdivided into four distinct tasks: (a) Hazard analysis, (b) Structural analysis, (c) Loss analysis...

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

    E-Print Network [OSTI]

    Joshi, Praveen Sudhakar

    1999-01-01

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

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

    E-Print Network [OSTI]

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

    2007-01-01

    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 ...

  19. Urban slum structure: integrating socioeconomic and land cover data to model slum evolution in Salvador, Brazil

    E-Print Network [OSTI]

    2013-01-01

    Cite this article as: Hacker et al. : Urban slum structure:Place 2009, 15:107–116. Hacker et al. International JournalHacker et al. International Journal of Health Geographics

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

    E-Print Network [OSTI]

    Pan, Keyao

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

  1. Soil Liquefaction–Induced Uplift of Underground Structures: Physical and Numerical Modeling

    E-Print Network [OSTI]

    Chian, Siau Chen; Tokimatsu, Kohji; M.ASCE; Madabhushi, Santana Phani Gopal

    2014-07-11

    in the liquefiable soil deposit. These consistencies with field observations clearly demonstrate and pave the prospects of applying numerical and/or experimental analyses for geotechnical problems associated with the floatation of underground structures...

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

    Open Energy Info (EERE)

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

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

    E-Print Network [OSTI]

    Lo, Cynthia

    2005-01-01

    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 ...

  4. A Model of Electrodiffusion and Osmotic Water Flow and its Energetic Structure

    E-Print Network [OSTI]

    Mori, Yoichiro; Eisenberg, Robert S

    2011-01-01

    We introduce a model for ionic electrodiffusion and osmotic water flow through cells and tissues. The model consists of a system of partial differential equations for ionic concentration and fluid flow with interface conditions at deforming membrane boundaries. The model satisfies a natural energy equality, in which the sum of the entropic, elastic and electrostatic free energies are dissipated through viscous, electrodiffusive and osmotic flows. We discuss limiting models when certain dimensionless parameters are small. Finally, we develop a numerical scheme for the one-dimensional case and present some simple applications of our model to cell volume control.

  5. A Model of Electrodiffusion and Osmotic Water Flow and its Energetic Structure

    E-Print Network [OSTI]

    Yoichiro Mori; Chun Liu; Robert S. Eisenberg

    2011-01-27

    We introduce a model for ionic electrodiffusion and osmotic water flow through cells and tissues. The model consists of a system of partial differential equations for ionic concentration and fluid flow with interface conditions at deforming membrane boundaries. The model satisfies a natural energy equality, in which the sum of the entropic, elastic and electrostatic free energies are dissipated through viscous, electrodiffusive and osmotic flows. We discuss limiting models when certain dimensionless parameters are small. Finally, we develop a numerical scheme for the one-dimensional case and present some simple applications of our model to cell volume control.

  6. Restricted N-glycan Conformational Space in the PDB and Its Implication in Glycan Structure Modeling

    E-Print Network [OSTI]

    Jo, Sunhwan; Lee, Hui Sun; Skolnick, Jeffrey; Im, Wonpil

    2013-03-14

    including their orientations with respect to the protein is discussed separately below. Figure 2 shows the RMSD distributions of the N-glycan structure pairs in the PDB and random conformation pool. Note that the RMSD is only measured between glycan... background glycan structures (see Methods for details). By deriving the statistical significance using the random background having the identical N-glycan sequence, the length dependence is effectively removed. The generalized extreme value distribution (Eq...

  7. The National Energy Modeling System: An overview 1998

    SciTech Connect (OSTI)

    1998-02-01

    The National Energy Modeling System (NEMS) is a computer-based, energy-economy modeling system of US energy markets for the midterm period through 2020. NEMS projects the production, imports, conversion, consumption, and prices of energy, subject to assumptions on macroeconomic and financial factors world energy markets, resource availability and costs, behavior and technological choice criteria, cost and performance characteristics of energy technologies, and demographics. This report presents an overview of the structure and methodology of NEMS and each of its components. The first chapter provides a description of the design and objectives of the system, followed by a chapter on the overall modeling structure and solution algorithm. The remainder of the report summarizes the methodology and scope of the component modules of NEMS. The model descriptions are intended for readers familiar with terminology from economics, operations research, and energy modeling. 21 figs.

  8. Development of a statistically based access delay timeline methodology.

    SciTech Connect (OSTI)

    Rivera, W. Gary; Robinson, David Gerald; Wyss, Gregory Dane; Hendrickson, Stacey M. Langfitt

    2013-02-01

    The charter for adversarial delay is to hinder access to critical resources through the use of physical systems increasing an adversary's task time. The traditional method for characterizing access delay has been a simple model focused on accumulating times required to complete each task with little regard to uncertainty, complexity, or decreased efficiency associated with multiple sequential tasks or stress. The delay associated with any given barrier or path is further discounted to worst-case, and often unrealistic, times based on a high-level adversary, resulting in a highly conservative calculation of total delay. This leads to delay systems that require significant funding and personnel resources in order to defend against the assumed threat, which for many sites and applications becomes cost prohibitive. A new methodology has been developed that considers the uncertainties inherent in the problem to develop a realistic timeline distribution for a given adversary path. This new methodology incorporates advanced Bayesian statistical theory and methodologies, taking into account small sample size, expert judgment, human factors and threat uncertainty. The result is an algorithm that can calculate a probability distribution function of delay times directly related to system risk. Through further analysis, the access delay analyst or end user can use the results in making informed decisions while weighing benefits against risks, ultimately resulting in greater system effectiveness with lower cost.

  9. Risk Assessment of Cascading Outages: Part I - Overview of Methodologies

    SciTech Connect (OSTI)

    Vaiman, Marianna; Bell, Keith; Chen, Yousu; Chowdhury, Badrul; Dobson, Ian; Hines, Paul; Papic, Milorad; Miller, Stephen; Zhang, Pei

    2011-07-31

    This paper is a result of ongoing activity carried out by Understanding, Prediction, Mitigation and Restoration of Cascading Failures Task Force under IEEE Computer Analytical Methods Subcommittee (CAMS). The task force's previous papers are focused on general aspects of cascading outages such as understanding, prediction, prevention and restoration from cascading failures. This is the first of two new papers, which will extend this previous work to summarize the state of the art in cascading failure risk analysis methodologies and modeling tools. This paper is intended to be a reference document to summarize the state of the art in the methodologies for performing risk assessment of cascading outages caused by some initiating event(s). A risk assessment should cover the entire potential chain of cascades starting with the initiating event(s) and ending with some final condition(s). However, this is a difficult task and heuristic approaches and approximations have been suggested. This paper discusses diffeent approaches to this and suggests directions for future development of methodologies.

  10. Feature Detection, Characterization and Confirmation Methodology: Final Report

    SciTech Connect (OSTI)

    Karasaki, Kenzi; Apps, John; Doughty, Christine; Gwatney, Hope; Onishi, Celia Tiemi; Trautz, Robert; Tsang, Chin-Fu

    2007-03-01

    This is the final report of the NUMO-LBNL collaborative project: Feature Detection, Characterization and Confirmation Methodology under NUMO-DOE/LBNL collaboration agreement, the task description of which can be found in the Appendix. We examine site characterization projects from several sites in the world. The list includes Yucca Mountain in the USA, Tono and Horonobe in Japan, AECL in Canada, sites in Sweden, and Olkiluoto in Finland. We identify important geologic features and parameters common to most (or all) sites to provide useful information for future repository siting activity. At first glance, one could question whether there was any commonality among the sites, which are in different rock types at different locations. For example, the planned Yucca Mountain site is a dry repository in unsaturated tuff, whereas the Swedish sites are situated in saturated granite. However, the study concludes that indeed there are a number of important common features and parameters among all the sites--namely, (1) fault properties, (2) fracture-matrix interaction (3) groundwater flux, (4) boundary conditions, and (5) the permeability and porosity of the materials. We list the lessons learned from the Yucca Mountain Project and other site characterization programs. Most programs have by and large been quite successful. Nonetheless, there are definitely 'should-haves' and 'could-haves', or lessons to be learned, in all these programs. Although each site characterization program has some unique aspects, we believe that these crosscutting lessons can be very useful for future site investigations to be conducted in Japan. One of the most common lessons learned is that a repository program should allow for flexibility, in both schedule and approach. We examine field investigation technologies used to collect site characterization data in the field. An extensive list of existing field technologies is presented, with some discussion on usage and limitations. Many of the technologies on the list were in fact used during the characterization of Yucca Mountain and elsewhere by LBNL personnel. The study also includes emerging technologies and identifies the need to develop better estimation of important parameters for repository siting. Notable emerging technologies include 3-D seismic and satellite-based remote sensing and wireless micro electro mechanical systems (MEMS) sensors. They enable cost-effective and ubiquitous monitoring to be applied for site characterization. We list and classify the types of uncertainties involved in site characterization. Uncertainties can exist in all aspects of site characterization: data, interpretation, conceptualization, and modeling. We use the Swedish program to exemplify such uncertainties. We also devote a chapter on geochemical issues regarding the interaction between groundwater and natural and engineered barrier materials. A recommendation has been made to take advantage of the recent advancement in geochemical modeling capabilities in natural systems. Although it is not of immediate relevance at the preliminary investigation stage, it serves as a good reminder that geochemical investigation efforts should not be overlooked at any stage in the repository program. We construct a synthetic preliminary-investigation site based on an extensive data set available from a geoscientific project in Japan, which we use as a 'real' site to evaluate uncertainties resulting from hydrogeological modeling and examine strategies for characterizing a new site. We plan various preliminary-investigation configurations and conduct preliminary numerical investigations at the synthetic site. We construct a model of the 'real' site for each PI configuration, make predictions of particle travel times, and compare against the 'real' data obtained from the 'real' model. We conclude that drilling as many as nine boreholes does not necessarily improve the understanding of the site compared to drilling as few as three boreholes, unless there is an underlying structure that is larger than the spacing of the boreholes. The

  11. A New Project Execution Methodology; Integrating Project Management Principles with Quality Project Execution Methodologies

    E-Print Network [OSTI]

    Schriner, Jesse J.

    2008-07-25

    Approach ........................................................................................3 The ITIL Approach ..................................................................................................5 Quality Project Methodologies Summary.... 2006. Six Sigma for IT Management. Van Haren Publishing. The main purpose of this book is to both introduce Six Sigma and Information Technology Infrastructure Library (ITIL) and then integrate the two methodologies for application...

  12. Systematic Comparison of Operating Reserve Methodologies: Preprint

    SciTech Connect (OSTI)

    Ibanez, E.; Krad, I.; Ela, E.

    2014-04-01

    Operating reserve requirements are a key component of modern power systems, and they contribute to maintaining reliable operations with minimum economic impact. No universal method exists for determining reserve requirements, thus there is a need for a thorough study and performance comparison of the different existing methodologies. Increasing penetrations of variable generation (VG) on electric power systems are posed to increase system uncertainty and variability, thus the need for additional reserve also increases. This paper presents background information on operating reserve and its relationship to VG. A consistent comparison of three methodologies to calculate regulating and flexibility reserve in systems with VG is performed.

  13. STRUCTURAL VALIDATION OF SYSTEM DYNAMICS AND AGENT-BASED SIMULATION MODELS

    E-Print Network [OSTI]

    Tesfatsion, Leigh

    , population dynamics, energy systems, and urban planning. The usefulness of these models is predicated including global warming, population dynamics, energy systems, and urban planning simply defy a face

  14. Structural analysis of three global land models on carbon cycle simulations using a traceability framework

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

    Rafique, R.; Xia, J.; Hararuk, O.; Luo, Y.

    2014-06-27

    Modeled carbon (C) storage capacity is largely determined by the C residence time and net primary productivity (NPP). Extensive research has been done on NPP dynamics but the residence time and their relationships with C storage are much less studied. In this study, we implemented a traceability analysis to understand the modeled C storage and residence time in three land surface models: CSIRO's Atmosphere Biosphere Land Exchange (CABLE) with 9 C pools, Community Land Model (version 3.5) combined with Carnegie-Ames-Stanford Approach (CLM3.5-CASA) with 12 C pools and Community Land Model (version 4) (CLM4) with 26 C pools. The globally averagedmore »C storage and residence time was computed at both individual pool and total ecosystem levels. The spatial distribution of total ecosystem C storage and residence time differ greatly among the three models. The CABLE model showed a closer agreement with measured C storage and residence time in plant and soil pools than CLM3.5-CASA and CLM4. However, CLM3.5-CASA and CLM4 were close to each other in modeled C storage but not with measured data. CABLE stores more C in root whereas CLM3.5-CASA and CLM4 store more C in woody pools, partly due to differential NPP allocation in respective pools. The C residence time in individual C pools is greatly different among models, largely because of different transfer coefficient values among pools. CABLE had higher bulk residence time for soil C pools than the other two models. Overall, the traceability analysis used in this study can help fully characterizes the behavior of complex land models.« less

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

    SciTech Connect (OSTI)

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

    2007-02-15

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

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

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantityBonneville Power AdministrationRobust,Field-effect PhotovoltaicsStructure and Receptorsurvivor 8 Structure of the

  17. Methodology Water Harvesting Measurements with Biomimetic

    E-Print Network [OSTI]

    Barthelat, Francois

    Methodology Water Harvesting Measurements with Biomimetic Surfaces Zi Jun Wang and Prof. Anne parameters that affect the water harvesting efficiencies of different surfaces · Optimize the experimental Objectives Water is one of the most essential natural resources. The easy accessibility of water

  18. Response Surface Methodology Its application to automotive

    E-Print Network [OSTI]

    Awtar, Shorya

    . Introduction & Basis of RSM 1. History of RSM 2. What's RSM 3. Why is RSM 4. Least square method 5. Design Of Experiment (DOE) II. Its application to automotive suspension designs 1. Size optimization for beam stiffens and Basis of Response surface Methodology (RSM) #12;Toyota Central R&D Labs., Inc 4 History of RSM 1951 Box

  19. Methodology for Prototyping Increased Levels of Automation

    E-Print Network [OSTI]

    Valasek, John

    Methodology for Prototyping Increased Levels of Automation for Spacecraft Rendezvous Functions of automation than previous NASA vehicles, due to program requirements for automation, including Automated Ren authority between humans and computers (i.e. automation) as a prime driver for cost, safety, and mission

  20. New Methodology for Natural Gas Production Estimates

    Reports and Publications (EIA)

    2010-01-01

    A new methodology is implemented with the monthly natural gas production estimates from the EIA-914 survey this month. The estimates, to be released April 29, 2010, include revisions for all of 2009. The fundamental changes in the new process include the timeliness of the historical data used for estimation and the frequency of sample updates, both of which are improved.

  1. Microbiomic Signatures of Psoriasis: Feasibility and Methodology

    E-Print Network [OSTI]

    Statnikov, Alexander

    Microbiomic Signatures of Psoriasis: Feasibility and Methodology Comparison Alexander Statnikov1 York. Psoriasis is a common chronic inflammatory disease of the skin. We sought to use bacterial of psoriasis result in significant accuracy ranging from 0.75 to 0.89 AUC, depending on the classification task

  2. GROUNDWATER ASSESSMENT METHODOLOGY C. P. Kumar

    E-Print Network [OSTI]

    Kumar, C.P.

    1 GROUNDWATER ASSESSMENT METHODOLOGY C. P. Kumar Scientist `F', National Institute of Hydrology is groundwater resources. Due to uneven distribution of rainfall both in time and space, the surface water on development of groundwater resources. The simultaneous development of groundwater, specially through dug wells

  3. Methodological Review Data integration and genomic medicine

    E-Print Network [OSTI]

    Petropoulos, Michalis

    Methodological Review Data integration and genomic medicine Brenton Louie a,*, Peter Mork b 2006 Abstract Genomic medicine aims to revolutionize health care by applying our growing understanding the opportunities of genomic medicine as well as identify the informatics challenges in this domain. We also review

  4. Methodology to remediate a mixed waste site

    SciTech Connect (OSTI)

    Berry, J.B.

    1994-08-01

    In response to the need for a comprehensive and consistent approach to the complex issue of mixed waste management, a generalized methodology for remediation of a mixed waste site has been developed. The methodology is based on requirements set forth in the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) and the Resource Conservation and Recovery Act (RCRA) and incorporates ``lessons learned`` from process design, remediation methodologies, and remediation projects. The methodology is applied to the treatment of 32,000 drums of mixed waste sludge at the Oak Ridge K-25 Site. Process technology options are developed and evaluated, first with regard to meeting system requirements and then with regard to CERCLA performance criteria. The following process technology options are investigated: (1) no action, (2) separation of hazardous and radioactive species, (3) dewatering, (4) drying, and (5) solidification/stabilization. The first two options were eliminated from detailed consideration because they did not meet the system requirements. A quantitative evaluation clearly showed that, based on system constraints and project objectives, either dewatering or drying the mixed waste sludge was superior to the solidification/stabilization process option. The ultimate choice between the drying and the dewatering options will be made on the basis of a technical evaluation of the relative merits of proposals submitted by potential subcontractors.

  5. Interaction between surface structures and tunnelling in sand: centrifuge and computational modelling

    E-Print Network [OSTI]

    Giardina, Giorgia; DeJong, Matthew J.; Mair, Robert J.

    2015-07-30

    historische Geba¨ude am Beispiel einer neuen U-Bahnlinie in Rom, Geomechanics and Tunnelling 5 (3) (2012) 275–299. [36] G. Giardina, M. A. N. Hendriks, J. G. Rots, Sensitivity study on tunnelling induced damage to a masonry fac¸ade, Engineering Structures 89...

  6. Steady-state chemical process models. A structural point of view

    E-Print Network [OSTI]

    Neumaier, Arnold

    of mixing . . . . . . . . . . . . . . . . . . . . . . . . 13 6.3 Heat exchanger . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 2 Process streams 5 3 Sources and sinks 5 4 Atomic units 6 4.1 Structural types of the atomic units . . . . . . . . . . . . . . . . 6 5 Equations 7 5.1 Type of equations

  7. proteinsSTRUCTURE O FUNCTION O BIOINFORMATICS Graphical models of proteinprotein

    E-Print Network [OSTI]

    Ramakrishnan, Naren

    in a protein family provide evidence for con- straints on choices of amino acids. Some residues may be strictly con- served, allowing only a single amino acid type in order to preserve proper structure and function coupling from correlation--if a pair of (cross-family) residues has correlated amino acid types

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

    E-Print Network [OSTI]

    Kim, Sewon

    2012-10-19

    , 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...

  9. Protein structure prediction, fold recognition, homology modeling and design rely mainly on statistical effective energy

    E-Print Network [OSTI]

    Lazaridis, Themis

    on statistical effective energy functions. Although the theoretical foundation of such functions is not clear physical effective energy function SEEF statistical effective energy function Introduction Approaches augmented by implicit solvation models, provide physical effective energy functions that are beginning

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

    Broader source: Energy.gov [DOE]

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

  11. A unifying model for the structure of animal groups on the move

    E-Print Network [OSTI]

    Cristiani, Emiliano

    2009-01-01

    In this paper we present an agent-based model for the simulation of animal groups on the move in two and three dimensions. The model takes into account only two forces: a long-range cohesion and a short-range repulsion. We also consider the visual field of the animals and the different zones where cohesion and repulsion are active. Interactions between animals are both metric and topological. Unlike most of the existing models, we do not take into account the alignment of the velocities. The main result is that, despite the simplicity of the model, we can obtain almost all known patterns commonly seen in nature for animal groups (globular, extended and front clusters, columns, Vees, Jays, echelons) without adding extra animal-specific features, disclosing the basic causes of pattern formation.

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

    E-Print Network [OSTI]

    Dmitry Panchenko

    2015-02-25

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

  13. Structural and functional alterations associated with transformation in rat ovarian cell model systems 

    E-Print Network [OSTI]

    Echols, Jana Elizabeth

    1995-01-01

    In vitro cell model systems derived from rat granuloma cells were developed for the study of multistep ovarian carcinogenesis. Spontaneously immortalized rat granuloma cells (SIGC) were transfected with either the pSV3neo plasmid which contains...

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

    E-Print Network [OSTI]

    Nilsson, Henrik

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

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

    SciTech Connect (OSTI)

    1995-08-01

    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.

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

    E-Print Network [OSTI]

    Collins, Melissa

    2012-02-14

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

  17. Accepted by IEEE TRANSACTIONS ON CYBERNETICS, 2014 Abstract--Hyper-heuristics are search methodologies that

    E-Print Network [OSTI]

    Qu, Rong

    structures of different problem instances, the high level strategy plays an important role in the design generate the acceptance criterion for each problem instance, instead of using human designed criteria. Two methodologies that aim to provide high quality solutions across a wide variety of problem domains, rather than

  18. Dynamic modeling of injection-induced fault reactivation and ground motion and impact on surface structures and human perception

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

    Rutqvist, Jonny; Cappa, Frederic; Rinaldi, Antonio P.; Godano, Maxime

    2014-12-31

    We summarize recent modeling studies of injection-induced fault reactivation, seismicity, and its potential impact on surface structures and nuisance to the local human population. We used coupled multiphase fluid flow and geomechanical numerical modeling, dynamic wave propagation modeling, seismology theories, and empirical vibration criteria from mining and construction industries. We first simulated injection-induced fault reactivation, including dynamic fault slip, seismic source, wave propagation, and ground vibrations. From co-seismic average shear displacement and rupture area, we determined the moment magnitude to about Mw = 3 for an injection-induced fault reactivation at a depth of about 1000 m. We then analyzed themore »ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV), and frequency content, with comparison to the U.S. Bureau of Mines’ vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. For the considered synthetic Mw = 3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, and would not cause, in this particular case, upward CO2 leakage, but would certainly be felt by the local population.« less

  19. Dynamic modeling of injection-induced fault reactivation and ground motion and impact on surface structures and human perception

    SciTech Connect (OSTI)

    Rutqvist, Jonny [Lawrence Berkeley National Lab., CA (United States); Cappa, Frederic [Lawrence Berkeley National Lab., CA (United States); Rinaldi, Antonio P. [Lawrence Berkeley National Lab., CA (United States); Godano, Maxime [Univ. of Nice Sophia-Antipolis (France)

    2014-12-31

    We summarize recent modeling studies of injection-induced fault reactivation, seismicity, and its potential impact on surface structures and nuisance to the local human population. We used coupled multiphase fluid flow and geomechanical numerical modeling, dynamic wave propagation modeling, seismology theories, and empirical vibration criteria from mining and construction industries. We first simulated injection-induced fault reactivation, including dynamic fault slip, seismic source, wave propagation, and ground vibrations. From co-seismic average shear displacement and rupture area, we determined the moment magnitude to about Mw = 3 for an injection-induced fault reactivation at a depth of about 1000 m. We then analyzed the ground vibration results in terms of peak ground acceleration (PGA), peak ground velocity (PGV), and frequency content, with comparison to the U.S. Bureau of Mines’ vibration criteria for cosmetic damage to buildings, as well as human-perception vibration limits. For the considered synthetic Mw = 3 event, our analysis showed that the short duration, high frequency ground motion may not cause any significant damage to surface structures, and would not cause, in this particular case, upward CO2 leakage, but would certainly be felt by the local population.

  20. Description and assessment of structural and temperature models in the FRAP-T6 code. [PWR; BWR

    SciTech Connect (OSTI)

    Siefken, L.J.

    1983-01-01

    The FRAP-T6 code was developed at the Idaho National Engineering Laboratory (INEL) for the purpose of calculating the transient performance of light water reactor fuel rods during reactor transients ranging from mild operational transients to severe hypothetical loss-of-coolant accidents. An important application of the FRAP-T6 code is to calculate the structural performance of fuel rod cladding. The capabilities of the FRAP-T6 code are assessed by comparisons of code calculations with the measurements of several hundred in-pile experiments on fuel rods. The results of the assessments show that the code accurately and efficiently models the structural and thermal response of fuel rods.