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Sample records for dynamics model redyn

  1. Regional Dynamics Model (REDYN) | Open Energy Information

    Open Energy Info (EERE)

    use the REDYN model to estimate the effects of actions and policies on people and the economy. The REDYN model powers the unique Regional Dynamics Economic Service, an...

  2. Property:Implementation Phase | Open Energy Information

    Open Energy Info (EERE)

    Deployment Analysis System L Lessons Learned: NREL Village Power Program N Natural Gas Vehicle Cost Calculator P PERI Green Economics R Regional Dynamics Model (REDYN) T The...

  3. Dynamic cable analysis models

    SciTech Connect (OSTI)

    Palo, P.A.; Meggitt, D.J.; Nordell, W.J.

    1983-05-01

    This paper presents a summary of the development and validation of undersea cable dynamics computer models by the Naval Civil Engineering Laboratory (NCEL) under the sponsorship of the Naval Facilities Engineering Command. These models allow for the analysis of both small displacement (strumming) and large displacement (static and dynamic) deformations of arbitrarily configured cable structures. All of the large displacement models described in this paper are available to the public. This paper does not emphasize the theoretical development of the models (this information is available in other references) but emphasizes the various features of the models, the comparisons between model output and experimental data, and applications for which the models have been used.

  4. System Dynamics Model | NISAC

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

    Dynamics Model content top Chemical Supply Chain Analysis Posted by Admin on Mar 1, 2012 in | Comments 0 comments Chemical Supply Chain Analysis NISAC has developed a range of...

  5. Development of a Dynamic DOE Calibration Model

    Broader source: Energy.gov [DOE]

    A dynamic heavy duty diesel engine model was developed. The model can be applied for calibration and control system optimization.

  6. Global/Local Dynamic Models

    SciTech Connect (OSTI)

    Pfeffer, A; Das, S; Lawless, D; Ng, B

    2006-10-10

    Many dynamic systems involve a number of entities that are largely independent of each other but interact with each other via a subset of state variables. We present global/local dynamic models (GLDMs) to capture these kinds of systems. In a GLDM, the state of an entity is decomposed into a globally influenced state that depends on other entities, and a locally influenced state that depends only on the entity itself. We present an inference algorithm for GLDMs called global/local particle filtering, that introduces the principle of reasoning globally about global dynamics and locally about local dynamics. We have applied GLDMs to an asymmetric urban warfare environment, in which enemy units form teams to attack important targets, and the task is to detect such teams as they form. Experimental results for this application show that global/local particle filtering outperforms ordinary particle filtering and factored particle filtering.

  7. Quantitative Modeling of High Temperature Magnetization Dynamics

    SciTech Connect (OSTI)

    Zhang, Shufeng

    2009-03-01

    Final Technical Report Project title: Quantitative Modeling of High Temperature Magnetization Dynamics DOE/Office of Science Program Manager Contact: Dr. James Davenport

  8. The Challenges to Coupling Dynamic Geospatial Models

    SciTech Connect (OSTI)

    Goldstein, N

    2006-06-23

    Many applications of modeling spatial dynamic systems focus on a single system and a single process, ignoring the geographic and systemic context of the processes being modeled. A solution to this problem is the coupled modeling of spatial dynamic systems. Coupled modeling is challenging for both technical reasons, as well as conceptual reasons. This paper explores the benefits and challenges to coupling or linking spatial dynamic models, from loose coupling, where information transfer between models is done by hand, to tight coupling, where two (or more) models are merged as one. To illustrate the challenges, a coupled model of Urbanization and Wildfire Risk is presented. This model, called Vesta, was applied to the Santa Barbara, California region (using real geospatial data), where Urbanization and Wildfires occur and recur, respectively. The preliminary results of the model coupling illustrate that coupled modeling can lead to insight into the consequences of processes acting on their own.

  9. Very Large System Dynamics Models - Lessons Learned

    SciTech Connect (OSTI)

    Jacob J. Jacobson; Leonard Malczynski

    2008-10-01

    This paper provides lessons learned from developing several large system dynamics (SD) models. System dynamics modeling practice emphasize the need to keep models small so that they are manageable and understandable. This practice is generally reasonable and prudent; however, there are times that large SD models are necessary. This paper outlines two large SD projects that were done at two Department of Energy National Laboratories, the Idaho National Laboratory and Sandia National Laboratories. This paper summarizes the models and then discusses some of the valuable lessons learned during these two modeling efforts.

  10. Dynamics Modelling of Biolistic Gene Guns

    SciTech Connect (OSTI)

    Zhang, M.; Tao, W.; Pianetta, P.A.

    2009-06-04

    The gene transfer process using biolistic gene guns is a highly dynamic process. To achieve good performance, the process needs to be well understood and controlled. Unfortunately, no dynamic model is available in the open literature for analysing and controlling the process. This paper proposes such a model. Relationships of the penetration depth with the helium pressure, the penetration depth with the acceleration distance, and the penetration depth with the micro-carrier radius are presented. Simulations have also been conducted. The results agree well with experimental results in the open literature. The contribution of this paper includes a dynamic model for improving and manipulating performance of the biolistic gene gun.

  11. Simple Dynamic Gasifier Model That Runs in Aspen Dynamics

    SciTech Connect (OSTI)

    Robinson, P.J.; Luyben, W.L.

    2008-10-15

    Gasification (or partial oxidation) is a vital component of 'clean coal' technology. Sulfur and nitrogen emissions can be reduced, overall energy efficiency is increased, and carbon dioxide recovery and sequestration are facilitated. Gasification units in an electric power generation plant produce a fuel for driving combustion turbines. Gasification units in a chemical plant generate gas, which can be used to produce a wide spectrum of chemical products. Future plants are predicted to be hybrid power/chemical plants with gasification as the key unit operation. The widely used process simulator Aspen Plus provides a library of models that can be used to develop an overall gasifier model that handles solids. So steady-state design and optimization studies of processes with gasifiers can be undertaken. This paper presents a simple approximate method for achieving the objective of having a gasifier model that can be exported into Aspen Dynamics. The basic idea is to use a high molecular weight hydrocarbon that is present in the Aspen library as a pseudofuel. This component should have the same 1:1 hydrogen-to-carbon ratio that is found in coal and biomass. For many plantwide dynamic studies, a rigorous high-fidelity dynamic model of the gasifier is not needed because its dynamics are very fast and the gasifier gas volume is a relatively small fraction of the total volume of the entire plant. The proposed approximate model captures the essential macroscale thermal, flow, composition, and pressure dynamics. This paper does not attempt to optimize the design or control of gasifiers but merely presents an idea of how to dynamically simulate coal gasification in an approximate way.

  12. Swarm Intelligence for Urban Dynamics Modelling

    SciTech Connect (OSTI)

    Ghnemat, Rawan; Bertelle, Cyrille; Duchamp, Gerard H. E.

    2009-04-16

    In this paper, we propose swarm intelligence algorithms to deal with dynamical and spatial organization emergence. The goal is to model and simulate the developement of spatial centers using multi-criteria. We combine a decentralized approach based on emergent clustering mixed with spatial constraints or attractions. We propose an extension of the ant nest building algorithm with multi-center and adaptive process. Typically, this model is suitable to analyse and simulate urban dynamics like gentrification or the dynamics of the cultural equipment in urban area.

  13. Computational Fluid Dynamics Modeling of Diesel Engine Combustion...

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

    Computational Fluid Dynamics Modeling of Diesel Engine Combustion and Emissions Computational Fluid Dynamics Modeling of Diesel Engine Combustion and Emissions 2005 Diesel Engine ...

  14. Modeling of Reactor Kinetics and Dynamics

    SciTech Connect (OSTI)

    Matthew Johnson; Scott Lucas; Pavel Tsvetkov

    2010-09-01

    In order to model a full fuel cycle in a nuclear reactor, it is necessary to simulate the short time-scale kinetic behavior of the reactor as well as the long time-scale dynamics that occur with fuel burnup. The former is modeled using the point kinetics equations, while the latter is modeled by coupling fuel burnup equations with the kinetics equations. When the equations are solved simultaneously with a nonlinear equation solver, the end result is a code with the unique capability of modeling transients at any time during a fuel cycle.

  15. Structural system identification: Structural dynamics model validation

    SciTech Connect (OSTI)

    Red-Horse, J.R.

    1997-04-01

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

  16. Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

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

    Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

    2015-04-01

    The phase behavior of multi-component metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamic aspects of such a model ternary metallic liquid Cu40Zr51Al9 using molecular dynamics simulation with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (diffusion coefficient, relaxation times, and shear viscosity) bordered at Tx ~1300K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs in the equilibrium liquid state well above the melting temperature of the system (Tm ~ 900K), and the crossover temperature ismore » roughly twice of the glass-transition temperature (Tg). Below Tx, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a non-parametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below Tx and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter and the four-point correlation function.« less

  17. DYNAMICAL MODELING OF GALAXY MERGERS USING IDENTIKIT

    SciTech Connect (OSTI)

    Privon, G. C.; Evans, A. S.; Barnes, J. E.; Hibbard, J. E.; Yun, M. S.; Mazzarella, J. M.; Armus, L.; Surace, J.

    2013-07-10

    We present dynamical models of four interacting systems: NGC 5257/8, The Mice, the Antennae, and NGC 2623. The parameter space of the encounters are constrained using the Identikit model-matching and visualization tool. Identikit utilizes hybrid N-body and test particle simulations to enable rapid exploration of the parameter space of galaxy mergers. The Identikit-derived matches of these systems are reproduced with self-consistent collisionless simulations which show very similar results. The models generally reproduce the observed morphology and H I kinematics of the tidal tails in these systems with reasonable properties inferred for the progenitor galaxies. The models presented here are the first to appear in the literature for NGC 5257/8 and NGC 2623, and The Mice and the Antennae are compared with previously published models. Based on the assumed mass model and our derived initial conditions, the models indicate that the four systems are currently being viewed 175-260 Myr after first passage and cover a wide range of merger stages. In some instances there are mismatches between the models and the data (e.g., in the length of a tail); these are likely due to our adoption of a single mass model for all galaxies. Despite the use of a single mass model, these results demonstrate the utility of Identikit in constraining the parameter space for galaxy mergers when applied to real data.

  18. Restoration of the Potosi Dynamic Model 2010

    SciTech Connect (OSTI)

    Adushita, Yasmin; Leetaru, Hannes

    2014-09-30

    In topical Report DOE/FE0002068-1 [2] technical performance evaluations on the Cambrian Potosi Formation were performed through reservoir modeling. The data included formation tops from mud logs, well logs from the VW1 and the CCS1 wells, structural and stratigraphic formation from three dimensional (3D) seismic data, and field data from several waste water injection wells for Potosi Formation. Intention was for two million tons per annum (MTPA) of CO2 to be injected for 20 years. In this Task the 2010 Potosi heterogeneous model (referred to as the "Potosi Dynamic Model 2010" in this report) was re-run using a new injection scenario; 3.2 MTPA for 30 years. The extent of the Potosi Dynamic Model 2010, however, appeared too small for the new injection target. It was not sufficiently large enough to accommodate the evolution of the plume. Also, it might have overestimated the injection capacity by enhancing too much the pressure relief due to the relatively close proximity between the injector and the infinite acting boundaries. The new model, Potosi Dynamic Model 2013a, was built by extending the Potosi Dynamic Model 2010 grid to 30 miles x 30 miles (48 km by 48 km), while preserving all property modeling workflows and layering. This model was retained as the base case. Potosi Dynamic Model 2013.a gives an average CO2 injection rate of 1.4 MTPA and cumulative injection of 43 Mt in 30 years, which corresponds to 45% of the injection target. This implies that according to this preliminary model, a minimum of three (3) wells could be required to achieve the injection target. The injectivity evaluation of the Potosi formation will be revisited in topical Report 15 during which more data will be integrated in the modeling exercise. A vertical flow performance evaluation could be considered for the succeeding task to determine the appropriate tubing size, the required injection tubing head pressure (THP) and to investigate whether the corresponding well injection rate

  19. Dynamical model for light composite fermions

    SciTech Connect (OSTI)

    Derman, E.

    1981-04-01

    A simple dynamical model for the internal structure of the three light lepton and quark generations (..nu../sub e/,e,u,d), (..nu../sub ..mu../,..mu..,c,s), and (..nu../sub tau/,tau,t,b) is proposed. Each generation is constructed of only one fundamental massive generation F=(L-italic/sup 0/,L/sup -/,U,D) with the same (SU/sub 3/)/sub c/ x SU/sub 2/ x U/sub 1/ quantum numbers as the light generations, bound to a core of one or more massive Higgs bosons H, where H is the single physical Higgs boson necessary for spontaneous symmetry breaking in the standard model. For example, e/sup -/=L/sup -/H), ..mu../sup -/=L/sup -/HH), tau/sup -/=L/sup -/HHH). It is shown that the known binding force due to H exchange is attractive and strong enough to produce light bound states. Dynamical calculations for the bound-state composite fermions using the Bethe-Salpeter equation, together with some phenomenological imput, suggest M/sub H/approx.16 TeV and M/sub F/approx.100 GeV. It is likely that such bound states can have properties compatible with the up to now apparently elementary appearance of known fermions, for example, their Dirac magnetic moments and absence of intergeneration radiative decays (such as ..mu -->..e..gamma..). Phenomenological consequences and tests of the model are discussed.

  20. Particle model for skyrmions in metallic chiral magnets: Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Particle model for skyrmions in metallic chiral magnets: Dynamics, pinning, and creep Citation Details In-Document Search Title: Particle model for skyrmions in metallic chiral ...

  1. Computational social dynamic modeling of group recruitment.

    SciTech Connect (OSTI)

    Berry, Nina M.; Lee, Marinna; Pickett, Marc; Turnley, Jessica Glicken; Smrcka, Julianne D.; Ko, Teresa H.; Moy, Timothy David; Wu, Benjamin C.

    2004-01-01

    The Seldon software toolkit combines concepts from agent-based modeling and social science to create a computationally social dynamic model for group recruitment. The underlying recruitment model is based on a unique three-level hybrid agent-based architecture that contains simple agents (level one), abstract agents (level two), and cognitive agents (level three). This uniqueness of this architecture begins with abstract agents that permit the model to include social concepts (gang) or institutional concepts (school) into a typical software simulation environment. The future addition of cognitive agents to the recruitment model will provide a unique entity that does not exist in any agent-based modeling toolkits to date. We use social networks to provide an integrated mesh within and between the different levels. This Java based toolkit is used to analyze different social concepts based on initialization input from the user. The input alters a set of parameters used to influence the values associated with the simple agents, abstract agents, and the interactions (simple agent-simple agent or simple agent-abstract agent) between these entities. The results of phase-1 Seldon toolkit provide insight into how certain social concepts apply to different scenario development for inner city gang recruitment.

  2. Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

    SciTech Connect (OSTI)

    Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

    2015-04-01

    The phase behavior of multi-component metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamic aspects of such a model ternary metallic liquid Cu40Zr51Al9 using molecular dynamics simulation with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (diffusion coefficient, relaxation times, and shear viscosity) bordered at Tx ~1300K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs in the equilibrium liquid state well above the melting temperature of the system (Tm ~ 900K), and the crossover temperature is roughly twice of the glass-transition temperature (Tg). Below Tx, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a non-parametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below Tx and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter and the four-point correlation function.

  3. LDRD final report : mesoscale modeling of dynamic loading of heterogeneous

    Office of Scientific and Technical Information (OSTI)

    materials. (Technical Report) | SciTech Connect LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials. Citation Details In-Document Search Title: LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials. Material response to dynamic loading is often dominated by microstructure (grain structure, porosity, inclusions, defects). An example critically important to Sandia's mission is dynamic strength of polycrystalline metals where

  4. Lessons Learned from Alternative Transportation Fuels: Modeling Transition Dynamics

    SciTech Connect (OSTI)

    Welch, C.

    2006-02-01

    Report focuses on understanding how analytical system modeling and data from AFV experiences could improve our understanding of the dynamic forces governing the transition to a hydrogen future.

  5. Dynamic force matching: A method for constructing dynamical coarse-grained models with realistic time dependence

    SciTech Connect (OSTI)

    Davtyan, Aram; Dama, James F.; Voth, Gregory A.; Andersen, Hans C.

    2015-04-21

    Coarse-grained (CG) models of molecular systems, with fewer mechanical degrees of freedom than an all-atom model, are used extensively in chemical physics. It is generally accepted that a coarse-grained model that accurately describes equilibrium structural properties (as a result of having a well constructed CG potential energy function) does not necessarily exhibit appropriate dynamical behavior when simulated using conservative Hamiltonian dynamics for the CG degrees of freedom on the CG potential energy surface. Attempts to develop accurate CG dynamic models usually focus on replacing Hamiltonian motion by stochastic but Markovian dynamics on that surface, such as Langevin or Brownian dynamics. However, depending on the nature of the system and the extent of the coarse-graining, a Markovian dynamics for the CG degrees of freedom may not be appropriate. In this paper, we consider the problem of constructing dynamic CG models within the context of the Multi-Scale Coarse-graining (MS-CG) method of Voth and coworkers. We propose a method of converting a MS-CG model into a dynamic CG model by adding degrees of freedom to it in the form of a small number of fictitious particles that interact with the CG degrees of freedom in simple ways and that are subject to Langevin forces. The dynamic models are members of a class of nonlinear systems interacting with special heat baths that were studied by Zwanzig [J. Stat. Phys. 9, 215 (1973)]. The properties of the fictitious particles can be inferred from analysis of the dynamics of all-atom simulations of the system of interest. This is analogous to the fact that the MS-CG method generates the CG potential from analysis of equilibrium structures observed in all-atom simulation data. The dynamic models generate a non-Markovian dynamics for the CG degrees of freedom, but they can be easily simulated using standard molecular dynamics programs. We present tests of this method on a series of simple examples that demonstrate that

  6. Dynamic Model Validation with Governor Deadband on the Eastern Interconnection

    SciTech Connect (OSTI)

    Kou, Gefei; Hadley, Stanton W; Liu, Yilu

    2014-04-01

    This report documents the efforts to perform dynamic model validation on the Eastern Interconnection (EI) by modeling governor deadband. An on-peak EI dynamic model is modified to represent governor deadband characteristics. Simulation results are compared with synchrophasor measurements collected by the Frequency Monitoring Network (FNET/GridEye). The comparison shows that by modeling governor deadband the simulated frequency response can closely align with the actual system response.

  7. Dynamic Modeling in Solid-Oxide Fuel Cells Controller Design

    SciTech Connect (OSTI)

    Lu, Ning; Li, Qinghe; Sun, Xin; Khaleel, Mohammad A.

    2007-06-28

    In this paper, a dynamic model of the solid-oxide fuel cell (SOFC) power unit is developed for the purpose of designing a controller to regulate fuel flow rate, fuel temperature, air flow rate, and air temperature to maintain the SOFC stack temperature, fuel utilization rate, and voltage within operation limits. A lumped model is used to consider the thermal dynamics and the electro-chemial dynamics inside an SOFC power unit. The fluid dynamics at the fuel and air inlets are considered by using the in-flow ramp-rates.

  8. Developing a Dynamic Pharmacophore Model for HIV-1 Integrase

    SciTech Connect (OSTI)

    Carlson, Heather A.; Masukawa, Keven M.; Rubins, Kathleen; Bushman, Frederic; Jorgensen, William L.; Lins, Roberto; Briggs, James; Mccammon, Andy

    2000-05-11

    We present the first receptor-based pharmacophore model for HIV-1 integrase. The development of ''dynamic'' pharmacophore models is a new method that accounts for the inherent flexibility of the active site and aims to reduce the entropic penalties associated with binding a ligand. Furthermore, this new drug discovery method overcomes the limitation of an incomplete crystal structure of the target protein. A molecular dynamics (MD) simulation describes the flexibility of the uncomplexed protein. Many conformational models of the protein are saved from the MD simulations and used in a series of multi-unit search for interacting conformers (MUSIC) simulations. MUSIC is a multiple-copy minimization method, available in the BOSS program; it is used to determine binding regions for probe molecules containing functional groups that complement the active site. All protein conformations from the MD are overlaid, and conserved binding regions for the probe molecules are identified. Those conserved binding regions define the dynamic pharmacophore model. Here, the dynamic model is compared to known inhibitors of the integrase as well as a three-point, ligand-based pharmacophore model from the literature. Also, a ''static'' pharmacophore model was determined in the standard fashion, using a single crystal structure. Inhibitors thought to bind in the active site of HIV-1 integrase fit the dynamic model but not the static model. Finally, we have identified a set of compounds from the Available Chemicals Directory that fit the dynamic pharmacophore model, and experimental testing of the compounds has confirmed several new inhibitors.

  9. Dynamic model predicts well bore surge and swab pressures

    SciTech Connect (OSTI)

    Bing, Z.; Kaiji, Z.

    1996-12-30

    A dynamic well control model predicts surge and swab pressures more accurately than a steady-state model, thereby providing better estimates of pressure fluctuations when pipe is tripped. Pressure fluctuations from tripping pipe into a well can contribute to lost circulation, kicks,and well control problems. This dynamic method of predicting surge and swab pressures was verified in a full-scale test well in the Zhong Yuan oil field in China. Both the dynamic model and steady state model were verified through the test data. The test data showed the dynamic model can correctly predict downhole pressures from running or pulling pipe in a well; steady state models may result in relatively large prediction errors, especially in deeper wells.

  10. Computational Fluid Dynamics Modeling of Diesel Engine Combustion and

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

    Emissions | Department of Energy Computational Fluid Dynamics Modeling of Diesel Engine Combustion and Emissions Computational Fluid Dynamics Modeling of Diesel Engine Combustion and Emissions 2005 Diesel Engine Emissions Reduction (DEER) Conference Presentations and Posters 2005_deer_reitz.pdf (682.47 KB) More Documents & Publications Experiments and Modeling of Two-Stage Combustion in Low-Emissions Diesel Engines Comparison of Conventional Diesel and Reactivity Controlled Compression

  11. Model based control of dynamic atomic force microscope

    SciTech Connect (OSTI)

    Lee, Chibum; Salapaka, Srinivasa M.

    2015-04-15

    A model-based robust control approach is proposed that significantly improves imaging bandwidth for the dynamic mode atomic force microscopy. A model for cantilever oscillation amplitude and phase dynamics is derived and used for the control design. In particular, the control design is based on a linearized model and robust H{sub ∞} control theory. This design yields a significant improvement when compared to the conventional proportional-integral designs and verified by experiments.

  12. Generic solar photovoltaic system dynamic simulation model specification.

    SciTech Connect (OSTI)

    Ellis, Abraham; Behnke, Michael Robert; Elliott, Ryan Thomas

    2013-10-01

    This document is intended to serve as a specification for generic solar photovoltaic (PV) system positive-sequence dynamic models to be implemented by software developers and approved by the WECC MVWG for use in bulk system dynamic simulations in accordance with NERC MOD standards. Two specific dynamic models are included in the scope of this document. The first, a Central Station PV System model, is intended to capture the most important dynamic characteristics of large scale (> 10 MW) PV systems with a central Point of Interconnection (POI) at the transmission level. The second, a Distributed PV System model, is intended to represent an aggregation of smaller, distribution-connected systems that comprise a portion of a composite load that might be modeled at a transmission load bus.

  13. Dynamical Models of the Excitations of Nucleon Resonances

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

    T. Sato; Lee, T.-S. H.

    2009-05-01

    The development of a dynamical model for investigating the nucleon resonances using the reactions of meson production frommore » $$\\pi N$$, $$\\gamma N$$, $N(e,e')$, and $$N(\

  14. Developing Generic Dynamic Models for the 2030 Eastern Interconnection Grid

    SciTech Connect (OSTI)

    Kou, Gefei; Hadley, Stanton W; Markham, Penn N; Liu, Yilu

    2013-12-01

    The Eastern Interconnection Planning Collaborative (EIPC) has built three major power flow cases for the 2030 Eastern Interconnection (EI) based on various levels of energy/environmental policy conditions, technology advances, and load growth. Using the power flow cases, this report documents the process of developing the generic 2030 dynamic models using typical dynamic parameters. The constructed model was validated indirectly using the synchronized phasor measurements by removing the wind generation temporarily.

  15. Approximate Bisimulation-Based Reduction of Power System Dynamic Models

    SciTech Connect (OSTI)

    Stankovic, AM; Dukic, SD; Saric, AT

    2015-05-01

    In this paper we propose approximate bisimulation relations and functions for reduction of power system dynamic models in differential- algebraic (descriptor) form. The full-size dynamic model is obtained by linearization of the nonlinear transient stability model. We generalize theoretical results on approximate bisimulation relations and bisimulation functions, originally derived for a class of constrained linear systems, to linear systems in descriptor form. An algorithm for transient stability assessment is proposed and used to determine whether the power system is able to maintain the synchronism after a large disturbance. Two benchmark power systems are used to illustrate the proposed algorithm and to evaluate the applicability of approximate bisimulation relations and bisimulation functions for reduction of the power system dynamic models.

  16. Modeling and simulation of consumer response to dynamic pricing.

    SciTech Connect (OSTI)

    Valenzuela, J.; Thimmapuram, P.; Kim, J

    2012-08-01

    Assessing the impacts of dynamic-pricing under the smart grid concept is becoming extremely important for deciding its full deployment. In this paper, we develop a model that represents the response of consumers to dynamic pricing. In the model, consumers use forecasted day-ahead prices to shift daily energy consumption from hours when the price is expected to be high to hours when the price is expected to be low while maintaining the total energy consumption as unchanged. We integrate the consumer response model into the Electricity Market Complex Adaptive System (EMCAS). EMCAS is an agent-based model that simulates restructured electricity markets. We explore the impacts of dynamic-pricing on price spikes, peak demand, consumer energy bills, power supplier profits, and congestion costs. A simulation of an 11-node test network that includes eight generation companies and five aggregated consumers is performed for a period of 1 month. In addition, we simulate the Korean power system.

  17. Modeling of Endothelial Glyccalyx via Dissipative Particle Dynamics |

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

    Argonne Leadership Computing Facility Modeling of Endothelial Glyccalyx via Dissipative Particle Dynamics Authors: Mingge, D., Haojun, L., Karniadakis, G We employ Dissipative Particle Dynamics (DPD) to simulate flow in small vessels with the endothelial glycocalyx attached to the wall. Of particular interest is the quantification of the slip velocity at the edge of glycocalyx and of the increased pressure drop at different crafting densities, stiffness and height of the glycocalyx. Results

  18. Lessons Learned from Alternative Transportation Fuels: Modeling Transition Dynamics

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Lessons Learned from Alternative Transportation Fuels: Modeling Transition Dynamics C. Welch Technical Report NREL/TP-540-39446 February 2006 Lessons Learned from Alternative Transportation Fuels: Modeling Transition Dynamics C. Welch Prepared under Task Nos. HS04.2000 and HS06.1002 Technical Report NREL/TP-540-39446 February 2006 National Renewable Energy Laboratory 1617 Cole Boulevard, Golden, Colorado 80401-3393 303-275-3000 * www.nrel.gov Operated for the U.S. Department of Energy Office of

  19. Dynamic crack initiation toughness : experiments and peridynamic modeling.

    SciTech Connect (OSTI)

    Foster, John T.

    2009-10-01

    This is a dissertation on research conducted studying the dynamic crack initiation toughness of a 4340 steel. Researchers have been conducting experimental testing of dynamic crack initiation toughness, K{sub Ic}, for many years, using many experimental techniques with vastly different trends in the results when reporting K{sub Ic} as a function of loading rate. The dissertation describes a novel experimental technique for measuring K{sub Ic} in metals using the Kolsky bar. The method borrows from improvements made in recent years in traditional Kolsky bar testing by using pulse shaping techniques to ensure a constant loading rate applied to the sample before crack initiation. Dynamic crack initiation measurements were reported on a 4340 steel at two different loading rates. The steel was shown to exhibit a rate dependence, with the recorded values of K{sub Ic} being much higher at the higher loading rate. Using the knowledge of this rate dependence as a motivation in attempting to model the fracture events, a viscoplastic constitutive model was implemented into a peridynamic computational mechanics code. Peridynamics is a newly developed theory in solid mechanics that replaces the classical partial differential equations of motion with integral-differential equations which do not require the existence of spatial derivatives in the displacement field. This allows for the straightforward modeling of unguided crack initiation and growth. To date, peridynamic implementations have used severely restricted constitutive models. This research represents the first implementation of a complex material model and its validation. After showing results comparing deformations to experimental Taylor anvil impact for the viscoplastic material model, a novel failure criterion is introduced to model the dynamic crack initiation toughness experiments. The failure model is based on an energy criterion and uses the K{sub Ic} values recorded experimentally as an input. The failure model

  20. Integrated dynamic modeling and management system mission analysis

    SciTech Connect (OSTI)

    Lee, A.K.

    1994-12-28

    This document summarizes the mission analysis performed on the Integrated Dynamic Modeling and Management System (IDMMS). The IDMMS will be developed to provide the modeling and analysis capability required to understand the TWRS system behavior in terms of the identified TWRS performance measures. The IDMMS will be used to demonstrate in a verified and validated manner the satisfactory performance of the TWRS system configuration and assurance that the requirements have been satisfied.

  1. Dynamic Metabolic Modeling of Denitrifying Bacterial Growth: The Cybernetic Approach

    SciTech Connect (OSTI)

    Song, Hyun-Seob; Liu, Chongxuan

    2015-06-29

    Denitrification is a multistage reduction process converting nitrate ultimately to nitrogen gas, carried out mostly by facultative bacteria. Modeling of the denitrification process is challenging due to the complex metabolic regulation that modulates sequential formation and consumption of a series of nitrogen oxide intermediates, which serve as the final electron acceptors for denitrifying bacteria. In this work, we examined the effectiveness and accuracy of the cybernetic modeling framework in simulating the growth dynamics of denitrifying bacteria in comparison with kinetic models. In four different case studies using the literature data, we successfully simulated diauxic and triauxic growth patterns observed in anoxic and aerobic conditions, only by tuning two or three parameters. In order to understand the regulatory structure of the cybernetic model, we systematically analyzed the effect of cybernetic control variables on simulation accuracy. The results showed that the consideration of both enzyme synthesis and activity control through u- and v-variables is necessary and relevant and that uvariables are of greater importance in comparison to v-variables. In contrast, simple kinetic models were unable to accurately capture dynamic metabolic shifts across alternative electron acceptors, unless an inhibition term was additionally incorporated. Therefore, the denitrification process represents a reasonable example highlighting the criticality of considering dynamic regulation for successful metabolic modeling.

  2. Gauge turbulence, topological defect dynamics, and condensation in Higgs models

    SciTech Connect (OSTI)

    Gasenzer, Thomas; McLerran, Larry; Pawlowski, Jan M.; Sexty, Dénes

    2014-07-28

    The real-time dynamics of topological defects and turbulent configurations of gauge fields for electric and magnetic confinement are studied numerically within a 2+1D Abelian Higgs model. It is shown that confinement is appearing in such systems equilibrating after a strong initial quench such as the overpopulation of the infrared modes. While the final equilibrium state does not support confinement, metastable vortex defect configurations appearing in the gauge field are found to be closely related to the appearance of physically observable confined electric and magnetic charges. These phenomena are seen to be intimately related to the approach of a non-thermal fixed point of the far-from-equilibrium dynamical evolution, signaled by universal scaling in the gauge-invariant correlation function of the Higgs field. Even when the parameters of the Higgs action do not support condensate formation in the vacuum, during this approach, transient Higgs condensation is observed. We discuss implications of these results for the far-from-equilibrium dynamics of Yang–Mills fields and potential mechanisms of how confinement and condensation in non-Abelian gauge fields can be understood in terms of the dynamics of Higgs models. These suggest that there is an interesting new class of dynamics of strong coherent turbulent gauge fields with condensates.

  3. Gauge turbulence, topological defect dynamics, and condensation in Higgs models

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

    Gasenzer, Thomas; McLerran, Larry; Pawlowski, Jan M.; Sexty, Dénes

    2014-07-28

    The real-time dynamics of topological defects and turbulent configurations of gauge fields for electric and magnetic confinement are studied numerically within a 2+1D Abelian Higgs model. It is shown that confinement is appearing in such systems equilibrating after a strong initial quench such as the overpopulation of the infrared modes. While the final equilibrium state does not support confinement, metastable vortex defect configurations appearing in the gauge field are found to be closely related to the appearance of physically observable confined electric and magnetic charges. These phenomena are seen to be intimately related to the approach of a non-thermal fixedmore » point of the far-from-equilibrium dynamical evolution, signaled by universal scaling in the gauge-invariant correlation function of the Higgs field. Even when the parameters of the Higgs action do not support condensate formation in the vacuum, during this approach, transient Higgs condensation is observed. We discuss implications of these results for the far-from-equilibrium dynamics of Yang–Mills fields and potential mechanisms of how confinement and condensation in non-Abelian gauge fields can be understood in terms of the dynamics of Higgs models. These suggest that there is an interesting new class of dynamics of strong coherent turbulent gauge fields with condensates.« less

  4. Dynamic simulation models and performance of an OTEC power plant

    SciTech Connect (OSTI)

    Wormley, D.N.; Carmichael, D.A.; Umans, S.

    1983-08-01

    In this study, the aspects of plant performance which influence the potential for integration of an OTEC plant into a utility grid are considered. A set of simulation models have been developed for the evaluation of OTEC dynamic plant performance. A detailed nonlinear dynamic model has been forumlated which is useful for the assessment of component performance including heat exchangers, turbines, pumps and control systems. A reduced order linear model has been developed which is useful for studies of plant stability, control system development and transient performance of the plant connected to a utility grid. This model is particularly suitable for transient dynamic studies of an OTEC plant as a unit in a utility grid. A quasi-steady power availability model has also been developed which is useful to determine plant ouput power as a function of ocean thermal gradients so that the influence of daily and seasonal temperature variations may be easily computed. The study has found no fundamental technical barriers which would prohibit the interconnection of an OTEC plant into a utility grid. It has also shown that detailed consideration of turbine nozzle angle control is merited and such a control has the potential to provide superior performance in comparison to turbine bypass valve control.

  5. 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.

  6. Preparatory steps for a robust dynamic model for organically bound tritium dynamics in agricultural crops

    SciTech Connect (OSTI)

    Melintescu, A.; Galeriu, D.; Diabate, S.; Strack, S.

    2015-03-15

    The processes involved in tritium transfer in crops are complex and regulated by many feedback mechanisms. A full mechanistic model is difficult to develop due to the complexity of the processes involved in tritium transfer and environmental conditions. First, a review of existing models (ORYZA2000, CROPTRIT and WOFOST) presenting their features and limits, is made. Secondly, the preparatory steps for a robust model are discussed, considering the role of dry matter and photosynthesis contribution to the OBT (Organically Bound Tritium) dynamics in crops.

  7. Office Of Nuclear Energy Annual Review Meeting Dynamic Simulation Modeling Tool

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

    Annual Review Meeting Dynamic Simulation Modeling Tool Lou Qualls ORNL September 16-18, 2014 2 Work Package SR-14OR130108 - Modeling Tools for Dynamic Behavior Simulations of SMRs 2 ü FY14 molten salt cooled model deliverable due. n FY15 web application deliverable due. n FY15 model repository establishment due. n FY15 working collaboration with University partners. n Simplified Dynamic Modeling for Advanced SMRs - Numerous dynamic models are needed to simulate plant behavior

  8. Model of a deterministic detector and dynamical decoherence

    SciTech Connect (OSTI)

    Lee, Jae Weon; Shepelyansky, Dima L. [Laboratoire de Physique Theorique, UMR 5152 du CNRS, Univ. P. Sabatier, 31062 Toulouse Cedex 4 (France); Averin, Dmitri V. [Department of Physics, University of Stony Brook, SUNY, Stony Brook, New York 11794 (United States); Benenti, Giuliano [Center for Nonlinear and Complex Systems, Universita degli Studi dell'Insubria and Istituto Nazionale per la Fisica della Materia, Unita di Como, Via Valleggio 11, 22100 Como (Italy)

    2005-07-15

    We discuss a deterministic model of detector coupled to a two-level system (a qubit). The detector is a quasiclassical object whose dynamics is described by the kicked rotator Hamiltonian. We show that in the regime of quantum chaos the detector acts as a chaotic bath and induces decoherence of the qubit. We discuss the dephasing and relaxation rates and demonstrate that the main features of single-qubit decoherence due to a heat bath can be reproduced by our fully deterministic dynamical model. Moreover, we show that, for strong enough qubit-detector coupling, the dephasing rate is given by the rate of exponential instability of the detector's dynamics, that is, by the Lyapunov exponent of classical motion. Finally, we discuss the measurement in the regimes of strong and weak qubit-detector coupling. For the case of strong coupling the detector performs a measurement of the up/down state of the qubit. In the case of weak coupling, due to chaos, the dynamical evolution of the detector is strongly sensitive to the state of the qubit. However, in this case it is unclear how to extract a signal from any measurement with a coarse-graining in the phase space on a size much larger than the Planck cell.

  9. Modeling Crabbing Dynamics in an Electron-Ion Collider

    SciTech Connect (OSTI)

    Castilla, Alejandro; Morozov, Vasiliy S.; Satogata, Todd J.; Delayen, Jean R.

    2015-09-01

    A local crabbing scheme requires ?/2 (mod ?) horizontal betatron phase advances from an interaction point (IP) to the crab cavities on each side of it. However, realistic phase advances generated by sets of quadrupoles, or Final Focusing Blocks (FFB), between the crab cavities located in the expanded beam regions and the IP differ slightly from ?/2. To understand the effect of crabbing on the beam dynamics in this case, a simple model of the optics of the Medium Energy Electron-Ion Collider (MEIC) including local crabbing was developed using linear matrices and then studied numerically over multiple turns (1000 passes) of both electron and proton bunches. The same model was applied to both local and global crabbing schemes to determine the linear-order dynamical effects of the synchro-betatron coupling induced by crabbing.

  10. Modeling the dynamic crush of impact mitigating materials

    SciTech Connect (OSTI)

    Logan, R.W.; McMichael, L.D.

    1995-05-12

    Crushable materials are commonly utilized in the design of structural components to absorb energy and mitigate shock during the dynamic impact of a complex structure, such as an automobile chassis or drum-type shipping container. The development and application of several finite-element material models which have been developed at various times at LLNL for DYNA3D will be discussed. Between the models, they are able to account for several of the predominant mechanisms which typically influence the dynamic mechanical behavior of crushable materials. One issue we addressed was that no single existing model would account for the entire gambit of constitutive features which are important for crushable materials. Thus, we describe the implementation and use of an additional material model which attempts to provide a more comprehensive model of the mechanics of crushable material behavior. This model combines features of the pre-existing DYNA models and incorporates some new features as well in an invariant large-strain formulation. In addition to examining the behavior of a unit cell in uniaxial compression, two cases were chosen to evaluate the capabilities and accuracy of the various material models in DYNA. In the first case, a model for foam filled box beams was developed and compared to test data from a 4-point bend test. The model was subsequently used to study its effectiveness in energy absorption in an aluminum extrusion, spaceframe, vehicle chassis. The second case examined the response of the AT-400A shipping container and the performance of the overpack material during accident environments selected from 10CFR71 and IAEA regulations.

  11. Nuclear Hybrid Energy System Modeling: RELAP5 Dynamic Coupling Capabilities

    SciTech Connect (OSTI)

    Piyush Sabharwall; Nolan Anderson; Haihua Zhao; Shannon Bragg-Sitton; George Mesina

    2012-09-01

    The nuclear hybrid energy systems (NHES) research team is currently developing a dynamic simulation of an integrated hybrid energy system. A detailed simulation of proposed NHES architectures will allow initial computational demonstration of a tightly coupled NHES to identify key reactor subsystem requirements, identify candidate reactor technologies for a hybrid system, and identify key challenges to operation of the coupled system. This work will provide a baseline for later coupling of design-specific reactor models through industry collaboration. The modeling capability addressed in this report focuses on the reactor subsystem simulation.

  12. An opinion-driven behavioral dynamics model for addictive behaviors

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

    Moore, Thomas W.; Finley, Patrick D.; Apelberg, Benjamin J.; Ambrose, Bridget K.; Brodsky, Nancy S.; Brown, Theresa J.; Husten, Corinne; Glass, Robert J.

    2015-04-08

    We present a model of behavioral dynamics that combines a social network-based opinion dynamics model with behavioral mapping. The behavioral component is discrete and history-dependent to represent situations in which an individual’s behavior is initially driven by opinion and later constrained by physiological or psychological conditions that serve to maintain the behavior. Additionally, individuals are modeled as nodes in a social network connected by directed edges. Parameter sweeps illustrate model behavior and the effects of individual parameters and parameter interactions on model results. Mapping a continuous opinion variable into a discrete behavioral space induces clustering on directed networks. Clusters providemore » targets of opportunity for influencing the network state; however, the smaller the network the greater the stochasticity and potential variability in outcomes. Furthermore, this has implications both for behaviors that are influenced by close relationships verses those influenced by societal norms and for the effectiveness of strategies for influencing those behaviors.« less

  13. Use dynamic simulation to model HPU reactor depressuring

    SciTech Connect (OSTI)

    Ernest, J.B.; Depew, C.A. )

    1995-01-01

    Dynamic simulation is the best available method for the analysis of hydroprocessing unit (HPU) depressuring. Depressuring is crucial for the safe operation of hydrocracking and other HPUs with catalysts that have hydrocracking activity. Effective design for depressuring is valuable for all types of HPUs, both grass-roots and revamps. Reactor loop depressuring can set design temperatures and pressures for the reactor effluent cooling train and other equipment and piping in an HPU. Unfortunately, usual methods for determining equipment and piping design conditions during depressuring leave much room for improvement because they poorly account for time-dependent temperature and pressure changes. Dynamic simulation makes it practical to more accurately estimate these transient conditions. The paper discusses depressuring design, including the nature of depressuring, the impact of depressuring on design, and depressuring calculation methods. The author then describes modeling of hydroprocessing unit depressuring by discussing the general and particular correspondence of simulation modules to physical equipment using the base case of total electrical power failure. The special data that is required for dynamic simulation is described and typical simulation results are given. Lastly, the advantages of dynamic simulation are summarized.

  14. Eulerian hydrocode modeling of a dynamic tensile extrusion experiment (u)

    SciTech Connect (OSTI)

    Burkett, Michael W; Clancy, Sean P

    2009-01-01

    Eulerian hydrocode simulations utilizing the Mechanical Threshold Stress flow stress model were performed to provide insight into a dynamic extrusion experiment. The dynamic extrusion response of copper (three different grain sizes) and tantalum spheres were simulated with MESA, an explicit, 2-D Eulerian continuum mechanics hydrocode and compared with experimental data. The experimental data consisted of high-speed images of the extrusion process, recovered extruded samples, and post test metallography. The hydrocode was developed to predict large-strain and high-strain-rate loading problems. Some of the features of the features of MESA include a high-order advection algorithm, a material interface tracking scheme and a van Leer monotonic advection-limiting. The Mechanical Threshold Stress (MTS) model was utilized to evolve the flow stress as a function of strain, strain rate and temperature for copper and tantalum. Plastic strains exceeding 300% were predicted in the extrusion of copper at 400 m/s, while plastic strains exceeding 800% were predicted for Ta. Quantitative comparisons between the predicted and measured deformation topologies and extrusion rate were made. Additionally, predictions of the texture evolution (based upon the deformation rate history and the rigid body rotations experienced by the copper during the extrusion process) were compared with the orientation imaging microscopy measurements. Finally, comparisons between the calculated and measured influence of the initial texture on the dynamic extrusion response of tantalum was performed.

  15. Dynamic mesoscale model of dipolar fluids via fluctuating hydrodynamics

    SciTech Connect (OSTI)

    Persson, Rasmus A. X.; Chu, Jhih-Wei, E-mail: jwchu@nctu.edu.tw [Institute of Bioinformatics and Systems Biology, National Chiao Tung University, Hsinchu 30068, Taiwan (China); Department of Biological Science and Technology, National Chiao Tung University, Hsinchu 30068, Taiwan (China); Voulgarakis, Nikolaos K. [Department of Mathematics, Washington State University, Richland, Washington 99372 (United States)

    2014-11-07

    Fluctuating hydrodynamics (FHD) is a general framework of mesoscopic modeling and simulation based on conservational laws and constitutive equations of linear and nonlinear responses. However, explicit representation of electrical forces in FHD has yet to appear. In this work, we devised an Ansatz for the dynamics of dipole moment densities that is linked with the Poisson equation of the electrical potential ? in coupling to the other equations of FHD. The resulting ?-FHD equations then serve as a platform for integrating the essential forces, including electrostatics in addition to hydrodynamics, pressure-volume equation of state, surface tension, and solvent-particle interactions that govern the emergent behaviors of molecular systems at an intermediate scale. This unique merit of ?-FHD is illustrated by showing that the water dielectric function and ion hydration free energies in homogeneous and heterogenous systems can be captured accurately via the mesoscopic simulation. Furthermore, we show that the field variables of ?-FHD can be mapped from the trajectory of an all-atom molecular dynamics simulation such that model development and parametrization can be based on the information obtained at a finer-grained scale. With the aforementioned multiscale capabilities and a spatial resolution as high as 5 , the ?-FHD equations represent a useful semi-explicit solvent model for the modeling and simulation of complex systems, such as biomolecular machines and nanofluidics.

  16. Computational fluid dynamic modeling of fluidized-bed polymerization reactors

    SciTech Connect (OSTI)

    Rokkam, Ram

    2012-01-01

    Polyethylene is one of the most widely used plastics, and over 60 million tons are produced worldwide every year. Polyethylene is obtained by the catalytic polymerization of ethylene in gas and liquid phase reactors. The gas phase processes are more advantageous, and use fluidized-bed reactors for production of polyethylene. Since they operate so close to the melting point of the polymer, agglomeration is an operational concern in all slurry and gas polymerization processes. Electrostatics and hot spot formation are the main factors that contribute to agglomeration in gas-phase processes. Electrostatic charges in gas phase polymerization fluidized bed reactors are known to influence the bed hydrodynamics, particle elutriation, bubble size, bubble shape etc. Accumulation of electrostatic charges in the fluidized-bed can lead to operational issues. In this work a first-principles electrostatic model is developed and coupled with a multi-fluid computational fluid dynamic (CFD) model to understand the effect of electrostatics on the dynamics of a fluidized-bed. The multi-fluid CFD model for gas-particle flow is based on the kinetic theory of granular flows closures. The electrostatic model is developed based on a fixed, size-dependent charge for each type of particle (catalyst, polymer, polymer fines) phase. The combined CFD model is first verified using simple test cases, validated with experiments and applied to a pilot-scale polymerization fluidized-bed reactor. The CFD model reproduced qualitative trends in particle segregation and entrainment due to electrostatic charges observed in experiments. For the scale up of fluidized bed reactor, filtered models are developed and implemented on pilot scale reactor.

  17. Best practices for system dynamics model design and construction with powersim studio.

    SciTech Connect (OSTI)

    Malczynski, Leonard A.

    2011-06-01

    This guide addresses software quality in the construction of Powersim{reg_sign} Studio 8 system dynamics simulation models. It is the result of almost ten years of experience with the Powersim suite of system dynamics modeling tools (Constructor and earlier Studio versions). It is a guide that proposes a common look and feel for the construction of Powersim Studio system dynamics models.

  18. Model for Aggregated Water Heater Load Using Dynamic Bayesian Networks

    SciTech Connect (OSTI)

    Vlachopoulou, Maria; Chin, George; Fuller, Jason C.; Lu, Shuai; Kalsi, Karanjit

    2012-07-19

    The transition to the new generation power grid, or smart grid, requires novel ways of using and analyzing data collected from the grid infrastructure. Fundamental functionalities like demand response (DR), that the smart grid needs, rely heavily on the ability of the energy providers and distributors to forecast the load behavior of appliances under different DR strategies. This paper presents a new model of aggregated water heater load, based on dynamic Bayesian networks (DBNs). The model has been validated against simulated data from an open source distribution simulation software (GridLAB-D). The results presented in this paper demonstrate that the DBN model accurately tracks the load profile curves of aggregated water heaters under different testing scenarios.

  19. Modeling nanoscale hydrodynamics by smoothed dissipative particle dynamics

    SciTech Connect (OSTI)

    Lei, Huan; Mundy, Christopher J.; Schenter, Gregory K.; Voulgarakis, Nikolaos

    2015-05-21

    Thermal fluctuation and hydrophobicity are two hallmarks of fluid hydrodynamics on the nano-scale. It is a challenge to consistently couple the small length and time scale phenomena associated with molecular interaction with larger scale phenomena. The development of this consistency is the essence of mesoscale science. In this study, we develop a nanoscale fluid model based on smoothed dissipative particle dynamics that accounts for the phenomena of associated with density fluctuations and hydrophobicity. We show consistency in the fluctuation spectrum across scales. In doing so, it is necessary to account for finite fluid particle size. Furthermore, we demonstrate that the present model can capture of the void probability and solvation free energy of apolar particles of different sizes. The present fluid model is well suited for a understanding emergent phenomena in nano-scale fluid systems.

  20. Aggregated Residential Load Modeling Using Dynamic Bayesian Networks

    SciTech Connect (OSTI)

    Vlachopoulou, Maria; Chin, George; Fuller, Jason C.; Lu, Shuai

    2014-09-28

    AbstractIt is already obvious that the future power grid will have to address higher demand for power and energy, and to incorporate renewable resources of different energy generation patterns. Demand response (DR) schemes could successfully be used to manage and balance power supply and demand under operating conditions of the future power grid. To achieve that, more advanced tools for DR management of operations and planning are necessary that can estimate the available capacity from DR resources. In this research, a Dynamic Bayesian Network (DBN) is derived, trained, and tested that can model aggregated load of Heating, Ventilation, and Air Conditioning (HVAC) systems. DBNs can provide flexible and powerful tools for both operations and planing, due to their unique analytical capabilities. The DBN model accuracy and flexibility of use is demonstrated by testing the model under different operational scenarios.

  1. Critical dynamics of cluster algorithms in the dilute Ising model

    SciTech Connect (OSTI)

    Hennecke, M. Universitaet Karlsruhe ); Heyken, U. )

    1993-08-01

    Autocorrelation times for thermodynamic quantities at [Tc] are calculated from Monte Carlo simulations of the site-diluted simple cubic Ising model, using the Swendsen-Wand and Wolff cluster algorithms. The results show that for these algorithms the autocorrelation times decrease when reducing the concentration of magnetic sites from 100% down to 40%. This is of crucial importance when estimating static properties of the model, since the variances of these estimators increase with autocorrelation time. The dynamical critical exponents are calculated for both algorithms, observing pronounced finite-size effects in the energy autocorrelation data for the algorithm of Wolff. It is concluded that, when applied to the dilute Ising model, cluster algorithms become even more effective than local algorithms, for which increasing autocorrelation times are expected. 33 refs., 5 figs., 2 tabs.

  2. A Dynamic Approach to Modeling Dependence Between Human Failure Events

    SciTech Connect (OSTI)

    Boring, Ronald Laurids

    2015-09-01

    In practice, most HRA methods use direct dependence from THERP—the notion that error be- gets error, and one human failure event (HFE) may increase the likelihood of subsequent HFEs. In this paper, we approach dependence from a simulation perspective in which the effects of human errors are dynamically modeled. There are three key concepts that play into this modeling: (1) Errors are driven by performance shaping factors (PSFs). In this context, the error propagation is not a result of the presence of an HFE yielding overall increases in subsequent HFEs. Rather, it is shared PSFs that cause dependence. (2) PSFs have qualities of lag and latency. These two qualities are not currently considered in HRA methods that use PSFs. Yet, to model the effects of PSFs, it is not simply a matter of identifying the discrete effects of a particular PSF on performance. The effects of PSFs must be considered temporally, as the PSFs will have a range of effects across the event sequence. (3) Finally, there is the concept of error spilling. When PSFs are activated, they not only have temporal effects but also lateral effects on other PSFs, leading to emergent errors. This paper presents the framework for tying together these dynamic dependence concepts.

  3. User Guide for PV Dynamic Model Simulation Written on PSCAD Platform

    SciTech Connect (OSTI)

    Muljadi, E.; Singh, M.; Gevorgian, V.

    2014-11-01

    This document describes the dynamic photovoltaic model developed by the National Renewable Energy Laboratory and is intended as a guide for users of these models.

  4. Model Studies of the Dynamics of Bacterial Flagellar Motors

    SciTech Connect (OSTI)

    Bai, F; Lo, C; Berry, R; Xing, J

    2009-03-19

    The Bacterial Flagellar Motor is a rotary molecular machine that rotates the helical filaments which propel swimming bacteria. Extensive experimental and theoretical studies exist on the structure, assembly, energy input, power generation and switching mechanism of the motor. In our previous paper, we explained the general physics underneath the observed torque-speed curves with a simple two-state Fokker-Planck model. Here we further analyze this model. In this paper we show (1) the model predicts that the two components of the ion motive force can affect the motor dynamics differently, in agreement with the latest experiment by Lo et al.; (2) with explicit consideration of the stator spring, the model also explains the lack of dependence of the zero-load speed on stator number in the proton motor, recently observed by Yuan and Berg; (3) the model reproduces the stepping behavior of the motor even with the existence of the stator springs and predicts the dwelling time distribution. Predicted stepping behavior of motors with two stators is discussed, and we suggest future experimental verification.

  5. Modeling Temporal Behavior in Large Networks: A Dynamic Mixed-Membership Model

    SciTech Connect (OSTI)

    Rossi, R; Gallagher, B; Neville, J; Henderson, K

    2011-11-11

    Given a large time-evolving network, how can we model and characterize the temporal behaviors of individual nodes (and network states)? How can we model the behavioral transition patterns of nodes? We propose a temporal behavior model that captures the 'roles' of nodes in the graph and how they evolve over time. The proposed dynamic behavioral mixed-membership model (DBMM) is scalable, fully automatic (no user-defined parameters), non-parametric/data-driven (no specific functional form or parameterization), interpretable (identifies explainable patterns), and flexible (applicable to dynamic and streaming networks). Moreover, the interpretable behavioral roles are generalizable, computationally efficient, and natively supports attributes. We applied our model for (a) identifying patterns and trends of nodes and network states based on the temporal behavior, (b) predicting future structural changes, and (c) detecting unusual temporal behavior transitions. We use eight large real-world datasets from different time-evolving settings (dynamic and streaming). In particular, we model the evolving mixed-memberships and the corresponding behavioral transitions of Twitter, Facebook, IP-Traces, Email (University), Internet AS, Enron, Reality, and IMDB. The experiments demonstrate the scalability, flexibility, and effectiveness of our model for identifying interesting patterns, detecting unusual structural transitions, and predicting the future structural changes of the network and individual nodes.

  6. Toward a mechanistic modeling of nitrogen limitation on vegetation dynamics

    SciTech Connect (OSTI)

    Xu, Chonggang [Los Alamos National Laboratory (LANL); Fisher, Rosie [National Center for Atmospheric Research (NCAR); Wullschleger, Stan D [ORNL; Wilson, Cathy [Los Alamos National Laboratory (LANL); Cai, Michael [Los Alamos National Laboratory (LANL); McDowell, Nathan [Los Alamos National Laboratory (LANL)

    2012-01-01

    Nitrogen is a dominant regulator of vegetation dynamics, net primary production, and terrestrial carbon cycles; however, most ecosystem models use a rather simplistic relationship between leaf nitrogen content and photosynthetic capacity. Such an approach does not consider how patterns of nitrogen allocation may change with differences in light intensity, growing-season temperature and CO{sub 2} concentration. To account for this known variability in nitrogen-photosynthesis relationships, we develop a mechanistic nitrogen allocation model based on a trade-off of nitrogen allocated between growth and storage, and an optimization of nitrogen allocated among light capture, electron transport, carboxylation, and respiration. The developed model is able to predict the acclimation of photosynthetic capacity to changes in CO{sub 2} concentration, temperature, and radiation when evaluated against published data of V{sub c,max} (maximum carboxylation rate) and J{sub max} (maximum electron transport rate). A sensitivity analysis of the model for herbaceous plants, deciduous and evergreen trees implies that elevated CO{sub 2} concentrations lead to lower allocation of nitrogen to carboxylation but higher allocation to storage. Higher growing-season temperatures cause lower allocation of nitrogen to carboxylation, due to higher nitrogen requirements for light capture pigments and for storage. Lower levels of radiation have a much stronger effect on allocation of nitrogen to carboxylation for herbaceous plants than for trees, resulting from higher nitrogen requirements for light capture for herbaceous plants. As far as we know, this is the first model of complete nitrogen allocation that simultaneously considers nitrogen allocation to light capture, electron transport, carboxylation, respiration and storage, and the responses of each to altered environmental conditions. We expect this model could potentially improve our confidence in simulations of carbon-nitrogen interactions

  7. VISION -- A Dynamic Model of the Nuclear Fuel Cycle

    SciTech Connect (OSTI)

    J. J. Jacobson; A. M. Yacout; S. J. Piet; D. E. Shropshire; G. E. Matthern

    2006-02-01

    The Advanced Fuel Cycle Initiative’s (AFCI) fundamental objective is to provide technology options that – if implemented – would enable long-term growth of nuclear power while improving sustainability and energy security. The AFCI organization structure consists of four areas; Systems Analysis, Fuels, Separations and Transmutations. The Systems Analysis Working Group is tasked with bridging the program technical areas and providing the models, tools, and analyses required to assess the feasibility of design and deploy¬ment options and inform key decision makers. An integral part of the Systems Analysis tool set is the development of a system level model that can be used to examine the implications of the different mixes of reactors, implications of fuel reprocessing, impact of deployment technologies, as well as potential “exit” or “off ramp” approaches to phase out technologies, waste management issues and long-term repository needs. The Verifiable Fuel Cycle Simulation Model (VISION) is a computer-based simulation model that allows performing dynamic simulations of fuel cycles to quantify infrastructure requirements and identify key trade-offs between alternatives. VISION is intended to serve as a broad systems analysis and study tool applicable to work conducted as part of the AFCI (including costs estimates) and Generation IV reactor development studies.

  8. Computational fluid dynamics modeling of proton exchange membrane fuel cells

    SciTech Connect (OSTI)

    UM,SUKKEE; WANG,C.Y.; CHEN,KEN S.

    2000-02-11

    A transient, multi-dimensional model has been developed to simulate proton exchange membrane (PEM) fuel cells. The model accounts simultaneously for electrochemical kinetics, current distribution, hydrodynamics and multi-component transport. A single set of conservation equations valid for flow channels, gas-diffusion electrodes, catalyst layers and the membrane region are developed and numerically solved using a finite-volume-based computational fluid dynamics (CFD) technique. The numerical model is validated against published experimental data with good agreement. Subsequently, the model is applied to explore hydrogen dilution effects in the anode feed. The predicted polarization cubes under hydrogen dilution conditions are found to be in qualitative agreement with recent experiments reported in the literature. The detailed two-dimensional electrochemical and flow/transport simulations further reveal that in the presence of hydrogen dilution in the fuel stream, hydrogen is depleted at the reaction surface resulting in substantial kinetic polarization and hence a lower current density that is limited by hydrogen transport from the fuel stream to the reaction site.

  9. Fluid dynamic modeling of nano-thermite reactions

    SciTech Connect (OSTI)

    Martirosyan, Karen S.; Zyskin, Maxim; Jenkins, Charles M.; Horie, Yasuyuki

    2014-03-14

    This paper presents a direct numerical method based on gas dynamic equations to predict pressure evolution during the discharge of nanoenergetic materials. The direct numerical method provides for modeling reflections of the shock waves from the reactor walls that generates pressure-time fluctuations. The results of gas pressure prediction are consistent with the experimental evidence and estimates based on the self-similar solution. Artificial viscosity provides sufficient smoothing of shock wave discontinuity for the numerical procedure. The direct numerical method is more computationally demanding and flexible than self-similar solution, in particular it allows study of a shock wave in its early stage of reaction and allows the investigation of “slower” reactions, which may produce weaker shock waves. Moreover, numerical results indicate that peak pressure is not very sensitive to initial density and reaction time, providing that all the material reacts well before the shock wave arrives at the end of the reactor.

  10. Description of waste pretreatment and interfacing systems dynamic simulation model

    SciTech Connect (OSTI)

    Garbrick, D.J.; Zimmerman, B.D.

    1995-05-01

    The Waste Pretreatment and Interfacing Systems Dynamic Simulation Model was created to investigate the required pretreatment facility processing rates for both high level and low level waste so that the vitrification of tank waste can be completed according to the milestones defined in the Tri-Party Agreement (TPA). In order to achieve this objective, the processes upstream and downstream of the pretreatment facilities must also be included. The simulation model starts with retrieval of tank waste and ends with vitrification for both low level and high level wastes. This report describes the results of three simulation cases: one based on suggested average facility processing rates, one with facility rates determined so that approximately 6 new DSTs are required, and one with facility rates determined so that approximately no new DSTs are required. It appears, based on the simulation results, that reasonable facility processing rates can be selected so that no new DSTs are required by the TWRS program. However, this conclusion must be viewed with respect to the modeling assumptions, described in detail in the report. Also included in the report, in an appendix, are results of two sensitivity cases: one with glass plant water recycle steams recycled versus not recycled, and one employing the TPA SST retrieval schedule versus a more uniform SST retrieval schedule. Both recycling and retrieval schedule appear to have a significant impact on overall tank usage.

  11. Creating dynamic equivalent PV circuit models with impedance spectroscopy for arc-fault modeling.

    SciTech Connect (OSTI)

    Johnson, Jay Dean; Kuszmaul, Scott S.; Strauch, Jason E.; Schoenwald, David Alan

    2011-06-01

    Article 690.11 in the 2011 National Electrical Code{reg_sign} (NEC{reg_sign}) requires new photovoltaic (PV) systems on or penetrating a building to include a listed arc fault protection device. Currently there is little experimental or empirical research into the behavior of the arcing frequencies through PV components despite the potential for modules and other PV components to filter or attenuate arcing signatures that could render the arc detector ineffective. To model AC arcing signal propagation along PV strings, the well-studied DC diode models were found to inadequately capture the behavior of high frequency arcing signals. Instead dynamic equivalent circuit models of PV modules were required to describe the impedance for alternating currents in modules. The nonlinearities present in PV cells resulting from irradiance, temperature, frequency, and bias voltage variations make modeling these systems challenging. Linearized dynamic equivalent circuits were created for multiple PV module manufacturers and module technologies. The equivalent resistances and capacitances for the modules were determined using impedance spectroscopy with no bias voltage and no irradiance. The equivalent circuit model was employed to evaluate modules having irradiance conditions that could not be measured directly with the instrumentation. Although there was a wide range of circuit component values, the complex impedance model does not predict filtering of arc fault frequencies in PV strings for any irradiance level. Experimental results with no irradiance agree with the model and show nearly no attenuation for 1 Hz to 100 kHz input frequencies.

  12. The challenges of modelling antibody repertoire dynamics in HIV infection

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

    Luo, Shishi; Perelson, Alan S.

    2015-07-20

    Antibody affinity maturation by somatic hypermutation of B-cell immunoglobulin variable region genes has been studied for decades in various model systems using well-defined antigens. While much is known about the molecular details of the process, our understanding of the selective forces that generate affinity maturation are less well developed, particularly in the case of a co-evolving pathogen such as HIV. Despite this gap in understanding, high-throughput antibody sequence data are increasingly being collected to investigate the evolutionary trajectories of antibody lineages in HIV-infected individuals. Here, we review what is known in controlled experimental systems about the mechanisms underlying antibody selectionmore » and compare this to the observed temporal patterns of antibody evolution in HIV infection. In addition, we describe how our current understanding of antibody selection mechanisms leaves questions about antibody dynamics in HIV infection unanswered. Without a mechanistic understanding of antibody selection in the context of a co-evolving viral population, modelling and analysis of antibody sequences in HIV-infected individuals will be limited in their interpretation and predictive ability.« less

  13. 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 molecules 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 molecules 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

  14. Dynamical dipole gamma radiation in heavy-ion collisions on the basis of a quantum molecular dynamics model

    SciTech Connect (OSTI)

    Wu, H. L.; Tian, W. D.; Ma, Y. G.; Cai, X. Z.; Chen, J. G.; Fang, D. Q.; Guo, W.; Wang, H. W.

    2010-04-15

    Dynamical dipole gamma-ray emission in heavy-ion collisions is explored in the framework of the quantum molecular dynamics model. The studies are focused on systems of {sup 40}Ca bombarding {sup 48}Ca and its isotopes at different incident energies and impact parameters. Yields of gamma rays are calculated and the centroid energy and dynamical dipole emission width of the gamma spectra are extracted to investigate the properties of gamma emission. In addition, sensitivities of dynamical dipole gamma-ray emission to the isospin and the symmetry energy coefficient of the equation of state are studied. The results show that detailed study of dynamical dipole gamma radiation can provide information on the equation of state and the symmetry energy around the normal nuclear density.

  15. Dynamics Modeling and Loads Analysis of an Offshore Floating Wind Turbine

    SciTech Connect (OSTI)

    Jonkman, J. M.

    2007-12-01

    This report describes the development, verification, and application of a comprehensive simulation tool for modeling coupled dynamic responses of offshore floating wind turbines.

  16. MATHEMATICAL MODELS OF HYSTERESIS (DYNAMIC PROBLEMS IN HYSTERESIS)

    SciTech Connect (OSTI)

    Professor Isaak Mayergoyz

    2006-08-21

    This research has further advanced the current state of the art in the areas of dynamic aspects of hysteresis and nonlinear large scale magnetization dynamics. The results of this research will find important engineering applications in the areas of magnetic data storage technology and the emerging technology of “spintronics”. Our research efforts have been focused on the following tasks: • Study of fast (pulse) precessional switching of magnetization in magnetic materials. • Analysis of critical fields and critical angles for precessional switching of magnetization. • Development of inverse problem approach to the design of magnetic field pulses for precessional switching of magnetization. • Study of magnetization dynamics induced by spin polarized current injection. • Construction of complete stability diagrams for spin polarized current induced magnetization dynamics. • Development of the averaging technique for the analysis of the slow time scale magnetization dynamics. • Study of thermal effects on magnetization dynamics by using the theory of stochastic processes on graphs.

  17. Integrated dynamic landscape analysis and modeling system (IDLAMS) : installation manual.

    SciTech Connect (OSTI)

    Li, Z.; Majerus, K. A.; Sundell, R. C.; Sydelko, P. J.; Vogt, M. C.

    1999-02-24

    The Integrated Dynamic Landscape Analysis and Modeling System (IDLAMS) is a prototype, integrated land management technology developed through a joint effort between Argonne National Laboratory (ANL) and the US Army Corps of Engineers Construction Engineering Research Laboratories (USACERL). Dr. Ronald C. Sundell, Ms. Pamela J. Sydelko, and Ms. Kimberly A. Majerus were the principal investigators (PIs) for this project. Dr. Zhian Li was the primary software developer. Dr. Jeffrey M. Keisler, Mr. Christopher M. Klaus, and Mr. Michael C. Vogt developed the decision analysis component of this project. It was developed with funding support from the Strategic Environmental Research and Development Program (SERDP), a land/environmental stewardship research program with participation from the US Department of Defense (DoD), the US Department of Energy (DOE), and the US Environmental Protection Agency (EPA). IDLAMS predicts land conditions (e.g., vegetation, wildlife habitats, and erosion status) by simulating changes in military land ecosystems for given training intensities and land management practices. It can be used by military land managers to help predict the future ecological condition for a given land use based on land management scenarios of various levels of training intensity. It also can be used as a tool to help land managers compare different land management practices and further determine a set of land management activities and prescriptions that best suit the needs of a specific military installation.

  18. Emulating a System Dynamics Model with Agent-Based Models: A Methodological Case Study in Simulation of Diabetes Progression

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

    Schryver, Jack; Nutaro, James; Shankar, Mallikarjun

    2015-10-30

    An agent-based simulation model hierarchy emulating disease states and behaviors critical to progression of diabetes type 2 was designed and implemented in the DEVS framework. The models are translations of basic elements of an established system dynamics model of diabetes. In this model hierarchy, which mimics diabetes progression over an aggregated U.S. population, was dis-aggregated and reconstructed bottom-up at the individual (agent) level. Four levels of model complexity were defined in order to systematically evaluate which parameters are needed to mimic outputs of the system dynamics model. Moreover, the four estimated models attempted to replicate stock counts representing disease statesmore » in the system dynamics model, while estimating impacts of an elderliness factor, obesity factor and health-related behavioral parameters. Health-related behavior was modeled as a simple realization of the Theory of Planned Behavior, a joint function of individual attitude and diffusion of social norms that spread over each agent s social network. Although the most complex agent-based simulation model contained 31 adjustable parameters, all models were considerably less complex than the system dynamics model which required numerous time series inputs to make its predictions. In all three elaborations of the baseline model provided significantly improved fits to the output of the system dynamics model. The performances of the baseline agent-based model and its extensions illustrate a promising approach to translate complex system dynamics models into agent-based model alternatives that are both conceptually simpler and capable of capturing main effects of complex local agent-agent interactions.« less

  19. COMPUTATIONAL FLUID DYNAMICS MODELING OF SCALED HANFORD DOUBLE SHELL TANK MIXING - CFD MODELING SENSITIVITY STUDY RESULTS

    SciTech Connect (OSTI)

    JACKSON VL

    2011-08-31

    The primary purpose of the tank mixing and sampling demonstration program is to mitigate the technical risks associated with the ability of the Hanford tank farm delivery and celtification systems to measure and deliver a uniformly mixed high-level waste (HLW) feed to the Waste Treatment and Immobilization Plant (WTP) Uniform feed to the WTP is a requirement of 24590-WTP-ICD-MG-01-019, ICD-19 - Interface Control Document for Waste Feed, although the exact definition of uniform is evolving in this context. Computational Fluid Dynamics (CFD) modeling has been used to assist in evaluating scaleup issues, study operational parameters, and predict mixing performance at full-scale.

  20. Dynamic Models for Wind Turbines and Wind Power Plants

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

    ... Each of these models includes representations of general turbine aerodynamics, the ... 9 1.1.2 Wind power integration and wind turbine modeling ......

  1. Dynamic modelling of a double-pendulum gantry crane system incorporating payload

    SciTech Connect (OSTI)

    Ismail, R. M. T. Raja; Ahmad, M. A.; Ramli, M. S.; Ishak, R.; Zawawi, M. A.

    2011-06-20

    The natural sway of crane payloads is detrimental to safe and efficient operation. Under certain conditions, the problem is complicated when the payloads create a double pendulum effect. This paper presents dynamic modelling of a double-pendulum gantry crane system based on closed-form equations of motion. The Lagrangian method is used to derive the dynamic model of the system. A dynamic model of the system incorporating payload is developed and the effects of payload on the response of the system are discussed. Extensive results that validate the theoretical derivation are presented in the time and frequency domains.

  2. A dynamic model for underbalanced drilling with coiled tubing

    SciTech Connect (OSTI)

    Rommetveit, R.; Vefring, E.H.; Wang, Z.; Bieseman, T.; Faure, A.M.

    1995-11-01

    A model for underbalanced drilling with coiled tubing has been developed which takes into account all important factors contributing to the process. This model is a unique tool to plan and execute underbalanced or near balance drilling operations. It is a transient, one-dimensional multi-phase flow model with the following components: Lift gas system model, multiphase hydraulics model, reservoir-wellbore interaction model, drilling model, models for multiphase fluids (lift gas, produced gas, mud, foam, produced gas, oil, water and cuttings). Various alternative geometries for gas injection are modeled as well as all important operations during underbalanced drilling with coiled tubing. The model as well as some simulation results for its use are presented in this paper.

  3. Dynamic

    Office of Legacy Management (LM)

    Dynamic , and Static , Res.ponse of the Government Oil Shale Mine at ' , . , Rifle, ... AND STATIC RESPONSE 'OF THE GOVERNMENT OIL SHALE MINE A T RIFLE, COLORADO, T O THE, ...

  4. Modelling vegetation dynamics at global scale due to climate changes: Comparison of two approaches

    SciTech Connect (OSTI)

    Belotelov, N.V.; Bogatyrev, B.G.; Lobanov, A.I.

    1996-12-31

    Climate changes will influence vegetation dynamics. One of the ways of forecasting these changes is the creation of mathematical models describing vegetation dynamics. Computer experiments can then be conducted under climate change scenarios. Two main approaches are used to create such models. The first approach is based on a bioclimatic dynamic approach. The second approach is based on modelling the main eco-physiological processes. The bioclimatic dynamic approach consists of hypotheses about vegetation types or biomes, and their interrelationships with climate. In the eco-physiological approach, a detailed description of the processes, such as production, mortality, plants migration and their competition is presented. A number of computer experiments has been conducted for several climatic scenario for Russia and the whole world. A qualitative comparison of the results with the results of an earlier bioclimatic model has been done.

  5. A Mechanical Fluid-Dynamical Model For Ground Movements At Campi...

    Open Energy Info (EERE)

    Mechanical Fluid-Dynamical Model For Ground Movements At Campi Flegrei Caldera Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: A Mechanical...

  6. Dynamical Model for Meson Production off Nucleon and Application to Neutrino-Nucleus Reactions

    SciTech Connect (OSTI)

    Nakamura, Satoshi X.

    2011-11-23

    I explain the Sato-Lee (SL) model and its extension to the neutrino-induced pion production off the nucleon. Then I discuss applications of the SL model to incoherent and coherent pion productions in the neutrino-nucleus scattering. I mention a further extension of this approach with a dynamical coupled-channels model developed in Excited Baryon Analysis Center of JLab.

  7. Dynamic-Feature Extraction, Attribution and Reconstruction (DEAR) Method for Power System Model Reduction

    SciTech Connect (OSTI)

    Wang, Shaobu; Lu, Shuai; Zhou, Ning; Lin, Guang; Elizondo, Marcelo A.; Pai, M. A.

    2014-09-04

    In interconnected power systems, dynamic model reduction can be applied on generators outside the area of interest to mitigate the computational cost with transient stability studies. This paper presents an approach of deriving the reduced dynamic model of the external area based on dynamic response measurements, which comprises of three steps, dynamic-feature extraction, attribution and reconstruction (DEAR). In the DEAR approach, a feature extraction technique, such as singular value decomposition (SVD), is applied to the measured generator dynamics after a disturbance. Characteristic generators are then identified in the feature attribution step for matching the extracted dynamic features with the highest similarity, forming a suboptimal basis of system dynamics. In the reconstruction step, generator state variables such as rotor angles and voltage magnitudes are approximated with a linear combination of the characteristic generators, resulting in a quasi-nonlinear reduced model of the original external system. Network model is un-changed in the DEAR method. Tests on several IEEE standard systems show that the proposed method gets better reduction ratio and response errors than the traditional coherency aggregation methods.

  8. Chapter 18: Understanding the Developing Cellulosic Biofuels Industry through Dynamic Modeling

    SciTech Connect (OSTI)

    Newes, E.; Inman, D.; Bush, B.

    2011-01-01

    The purpose of this chapter is to discuss a system dynamics model called the Biomass Scenario Model (BSM), which is being developed by the U.S. Department of Energy as a tool to better understand the interaction of complex policies and their potential effects on the burgeoning cellulosic biofuels industry in the United States. The model has also recently been expanded to include advanced conversion technologies and biofuels (i.e., conversion pathways that yield biomass-based gasoline, diesel, jet fuel, and butanol), but we focus on cellulosic ethanol conversion pathways here. The BSM uses a system dynamics modeling approach (Bush et al., 2008) built on the STELLA software platform.

  9. Representation of Dormant and Active Microbial Dynamics for Ecosystem Modeling

    SciTech Connect (OSTI)

    Wang, Gangsheng; Mayes, Melanie; Gu, Lianhong; Schadt, Christopher Warren

    2014-01-01

    Dormancy is an essential strategy for microorganisms to cope with environmental stress. However, global ecosystem models typically ignore microbial dormancy, resulting in notable model uncertainties. To facilitate the consideration of dormancy in these large-scale models, we propose a new microbial physiology component that works for a wide range of substrate availabilities. This new model is based on microbial physiological states and the major parameters are the maximum specific growth and maintenance rates of active microbes and the ratio of dormant to active maintenance rates. A major improvement of our model over extant models is that it can explain the low active microbial fractions commonly observed in undisturbed soils. Our new model shows that the exponentially-increasing respiration from substrate-induced respiration experiments can only be used to determine the maximum specific growth rate and initial active microbial biomass, while the respiration data representing both exponentially-increasing and non-exponentially-increasing phases can robustly determine a range of key parameters including the initial total live biomass, initial active fraction, the maximum specific growth and maintenance rates, and the half-saturation constant. Our new model can be incorporated into existing ecosystem models to account for dormancy in microbially-driven processes and to provide improved estimates of microbial activities.

  10. Applied Dynamic Analysis of the Global Economy (ADAGE) Model...

    Open Energy Info (EERE)

    model capable of examining many types of economic, energy, environmental, climate change mitigation, and trade policies at the international, national, U.S. regional, and U.S....

  11. Modeling icesheets dynamics: forward and inverse problems. (Conference...

    Office of Scientific and Technical Information (OSTI)

    for Modeling and Scientific Computing MOX Seminar held September 9, 2013 in Milano, Italy. ... Country of Publication: United States Language: English Word Cloud More Like This Full ...

  12. Dynamic Models for Wind Turbines and Wind Power Plants

    SciTech Connect (OSTI)

    Singh, M.; Santoso, S.

    2011-10-01

    The primary objective of this report was to develop universal manufacturer-independent wind turbine and wind power plant models that can be shared, used, and improved without any restrictions by project developers, manufacturers, and engineers. Manufacturer-specific models of wind turbines are favored for use in wind power interconnection studies. While they are detailed and accurate, their usages are limited to the terms of the non-disclosure agreement, thus stifling model sharing. The primary objective of the work proposed is to develop universal manufacturer-independent wind power plant models that can be shared, used, and improved without any restrictions by project developers, manufacturers, and engineers. Each of these models includes representations of general turbine aerodynamics, the mechanical drive-train, and the electrical characteristics of the generator and converter, as well as the control systems typically used. To determine how realistic model performance is, the performance of one of the models (doubly-fed induction generator model) has been validated using real-world wind power plant data. This work also documents selected applications of these models.

  13. Dynamic Model Validation of PV Inverters Under Short-Circuit Conditions: Preprint

    SciTech Connect (OSTI)

    Muljadi, E.; Singh, M.; Bravo, R.; Gevorgian, V.

    2013-03-01

    Photovoltaic (PV) modules have dramatically decreased in price in the past few years, spurring the expansion of photovoltaic deployment. Residential and commercial rooftop installations are connected to the distribution network; large-scale installation PV power plants (PVPs) have benefited from tax incentives and the low cost of PV modules. As the level penetration of PV generation increases, the impact on power system reliability will also be greater. Utility power system planners must consider the role of PV generation in power systems more realistically by representing PV generation in dynamic stability analyses. Dynamic models of PV inverters have been developed in the positive sequence representation. NREL has developed a PV inverter dynamic model in PSCAD/EMTDC. This paper validates the dynamic model with an actual hardware bench test conducted by Southern California Edison's Distributed Energy Resources laboratory. All the fault combinations -- symmetrical and unsymmetrical -- were performed in the laboratory. We compare the simulation results with the bench test results.

  14. Dynamics of pentaquarks in constituent quark models: recent developments

    SciTech Connect (OSTI)

    Stancu, Fl.

    2005-06-14

    Some recent developments in the study of light and heavy pentaquarks are reviewed, mainly within constituent quark models. Emphasis is made on results obtained in the flavor-spin model where a nearly ideal octet-antidecuplet mixing is obtained. The charmed antisextet is reviewed in the context of an SU(4) classification.

  15. A dynamic process model of a natural gas combined cycle -- Model development with startup and shutdown simulations

    SciTech Connect (OSTI)

    Liese, Eric; Zitney, Stephen E.

    2013-01-01

    Research in dynamic process simulation for integrated gasification combined cycles (IGCC) with carbon capture has been ongoing at the National Energy Technology Laboratory (NETL), culminating in a full operator training simulator (OTS) and immersive training simulator (ITS) for use in both operator training and research. A derivative work of the IGCC dynamic simulator has been a modification of the combined cycle section to more closely represent a typical natural gas fired combined cycle (NGCC). This paper describes the NGCC dynamic process model and highlights some of the simulator’s current capabilities through a particular startup and shutdown scenario.

  16. Human Performance Modeling for Dynamic Human Reliability Analysis

    SciTech Connect (OSTI)

    Boring, Ronald Laurids; Joe, Jeffrey Clark; Mandelli, Diego

    2015-08-01

    Part of the U.S. Department of Energy’s (DOE’s) Light Water Reac- tor Sustainability (LWRS) Program, the Risk-Informed Safety Margin Charac- terization (RISMC) Pathway develops approaches to estimating and managing safety margins. RISMC simulations pair deterministic plant physics models with probabilistic risk models. As human interactions are an essential element of plant risk, it is necessary to integrate human actions into the RISMC risk framework. In this paper, we review simulation based and non simulation based human reliability analysis (HRA) methods. This paper summarizes the founda- tional information needed to develop a feasible approach to modeling human in- teractions in RISMC simulations.

  17. Advanced Modeling of Renewable Energy Market Dynamics: May 2006

    SciTech Connect (OSTI)

    Evans, M.; Little, R.; Lloyd, K.; Malikov, G.; Passolt, G.; Arent, D.; Swezey, B.; Mosey, G.

    2007-08-01

    This report documents a year-long academic project, presenting selected techniques for analysis of market growth, penetration, and forecasting applicable to renewable energy technologies. Existing mathematical models were modified to incorporate the effects of fiscal policies and were evaluated using available data. The modifications were made based on research and classification of current mathematical models used for predicting market penetration. An analysis of the results was carried out, based on available data. MATLAB versions of existing and new models were developed for research and policy analysis.

  18. Coupled Dynamic Modeling of Floating Wind Turbine Systems: Preprint

    SciTech Connect (OSTI)

    Wayman, E. N.; Sclavounos, P. D.; Butterfield, S.; Jonkman, J.; Musial, W.

    2006-03-01

    This article presents a collaborative research program that the Massachusetts Institute of Technology (MIT) and the National Renewable Energy Laboratory (NREL) have undertaken to develop innovative and cost-effective floating and mooring systems for offshore wind turbines in water depths of 10-200 m. Methods for the coupled structural, hydrodynamic, and aerodynamic analysis of floating wind turbine systems are presented in the frequency domain. This analysis was conducted by coupling the aerodynamics and structural dynamics code FAST [4] developed at NREL with the wave load and response simulation code WAMIT (Wave Analysis at MIT) [15] developed at MIT. Analysis tools were developed to consider coupled interactions between the wind turbine and the floating system. These include the gyroscopic loads of the wind turbine rotor on the tower and floater, the aerodynamic damping introduced by the wind turbine rotor, the hydrodynamic damping introduced by wave-body interactions, and the hydrodynamic forces caused by wave excitation. Analyses were conducted for two floater concepts coupled with the NREL 5-MW Offshore Baseline wind turbine in water depths of 10-200 m: the MIT/NREL Shallow Drafted Barge (SDB) and the MIT/NREL Tension Leg Platform (TLP). These concepts were chosen to represent two different methods of achieving stability to identify differences in performance and cost of the different stability methods. The static and dynamic analyses of these structures evaluate the systems' responses to wave excitation at a range of frequencies, the systems' natural frequencies, and the standard deviations of the systems' motions in each degree of freedom in various wind and wave environments. This article in various wind and wave environments. This article explores the effects of coupling the wind turbine with the floating platform, the effects of water depth, and the effects of wind speed on the systems' performance. An economic feasibility analysis of the two concepts

  19. Modeling Dynamic Ductility: An Equation of State for Porous Metals...

    Office of Scientific and Technical Information (OSTI)

    with material elastic-plastic response in a 2D hydrocode, and then discuss the modeling of ... Country of Publication: United States Language: English Subject: 36 MATERIALS SCIENCE; 75 ...

  20. Dynamics of holographic vacuum energy in the DGP model

    SciTech Connect (OSTI)

    Wu Xing; Zhu Zonghong; Cai Ronggen

    2008-02-15

    We consider the evolution of the vacuum energy in the Dvali-Gabadadze-Porrati (DGP) model according to the holographic principle under the assumption that the relation linking the IR and UV cutoffs still holds in this scenario. The model is studied when the IR cutoff is chosen to be the Hubble scale H{sup -1}, the particle horizon R{sub ph}, and the future event horizon R{sub eh}, respectively. The two branches of the DGP model are also taken into account. Through numerical analysis, we find that in the cases of H{sup -1} in the (+) branch and R{sub eh} in both branches, the vacuum energy can play the role of dark energy. Moreover, when considering the combination of the vacuum energy and the 5D gravity effect in both branches, the equation of state of the effective dark energy may cross -1, which may lead to the big rip singularity. Besides, we constrain the model with the Type Ia supernovae and baryon oscillation data and find that our model is consistent with current data within 1{sigma}, and that the observations prefer either a pure holographic dark energy or a pure DGP model.

  1. A comparison of simulation models for predicting soil water dynamics in bare and vegetated lysimeters

    SciTech Connect (OSTI)

    Link, S.O.; Kickert, R.N.; Fayer, M.J.; Gee, G.W.

    1993-06-01

    This report describes the results of simulation models used to predict soil water storage dynamics at the Field Lysimeter Test Facility (FLTF) weighing lysimeters. The objectives of this research is to develop the capability to predict soil water storage dynamics with plants in support of water infiltration control studies for the Hanford Permanent Isolation Barrier Development Program. It is important to gain confidence in one`s ability to simulate soil water dynamics over long time periods to assess the barrier`s ability to prevent drainage. Two models were compared for their ability to simulate soil water storage dynamics with and without plants in weighing lysimeters, the soil water infiltration and movement (SWIM) and the simulation of production and utilization of rangelands (SPUR-91) models. These models adequately simulated soil water storage dynamics for the weighing lysimeters. The range of root mean square error values for the two models was 7.0 to 19.8. This compares well with the range reported by Fayer et al. (1992) for the bare soil data sets of 8.1 to 22.1. Future research will test the predictive capability of these models for longer term lysimeter data sets and for historical data sets collected in various plant community types.

  2. Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics

    SciTech Connect (OSTI)

    Jackson, Bret; Nattino, Francesco; Kroes, Geert-Jan

    2014-08-07

    The dissociative chemisorption of methane on metal surfaces is of great practical and fundamental importance. Not only is it the rate-limiting step in the steam reforming of natural gas, the reaction exhibits interesting mode-selective behavior and a strong dependence on the temperature of the metal. We present a quantum model for this reaction on Ni(100) and Ni(111) surfaces based on the reaction path Hamiltonian. The dissociative sticking probabilities computed using this model agree well with available experimental data with regard to variation with incident energy, substrate temperature, and the vibrational state of the incident molecule. We significantly expand the vibrational basis set relative to earlier studies, which allows reaction probabilities to be calculated for doubly excited initial vibrational states, though it does not lead to appreciable changes in the reaction probabilities for singly excited initial states. Sudden models used to treat the center of mass motion parallel to the surface are compared with results from ab initio molecular dynamics and found to be reasonable. Similar comparisons for molecular rotation suggest that our rotationally adiabatic model is incorrect, and that sudden behavior is closer to reality. Such a model is proposed and tested. A model for predicting mode-selective behavior is tested, with mixed results, though we find it is consistent with experimental studies of normal vs. total (kinetic) energy scaling. Models for energy transfer into lattice vibrations are also examined.

  3. Data Driven Approach for High Resolution Population Distribution and Dynamics Models

    SciTech Connect (OSTI)

    Bhaduri, Budhendra L; Bright, Eddie A; Rose, Amy N; Liu, Cheng; Urban, Marie L; Stewart, Robert N

    2014-01-01

    High resolution population distribution data are vital for successfully addressing critical issues ranging from energy and socio-environmental research to public health to human security. Commonly available population data from Census is constrained both in space and time and does not capture population dynamics as functions of space and time. This imposes a significant limitation on the fidelity of event-based simulation models with sensitive space-time resolution. This paper describes ongoing development of high-resolution population distribution and dynamics models, at Oak Ridge National Laboratory, through spatial data integration and modeling with behavioral or activity-based mobility datasets for representing temporal dynamics of population. The model is resolved at 1 km resolution globally and describes the U.S. population for nighttime and daytime at 90m. Integration of such population data provides the opportunity to develop simulations and applications in critical infrastructure management from local to global scales.

  4. Modeling microbial dynamics in heterogeneous environments: Growth on soil carbon sources

    SciTech Connect (OSTI)

    Resat, Haluk; Bailey, Vanessa L.; McCue, Lee Ann; Konopka, Allan

    2012-01-01

    We have developed a new hybrid model to study how microbial dynamics are affected by the heterogeneity in the physical structure of the environment. The modeling framework can represent porous media such as soil. The individual based biological model can explicitly simulate microbial diversity, and cell metabolism is regulated via optimal allocation of cellular resources to enzyme synthesis, control of growth rate by protein synthesis capacity, and shifts to dormancy. This model was developed to study how microbial community functioning is influenced by local environmental conditions and by the functional attributes of individual microbes. Different strategies for acquisition of carbon from polymeric cellulose were investigated. Bacteria that express membrane-associated hydrolase had different growth and survival dynamics in soil pores than bacteria that release extracellular hydrolases. The kinetic differences may suggest different functional roles for these two classes of microbes in cellulose utilization. Our model predicted an emergent behavior in which co-existence led to higher cellulose utilization efficiency and reduced stochasticity. Microbial community dynamics were simulated at two spatial scales: micro-pores that resemble 6-20 {micro}m size portions of the soil physical structure and in 111 {micro}m size soil aggregates with a random pore structure. Trends in dynamic properties were very similar at these two scales, implying that micro-scale studies can be useful approximations to aggregate scale studies when local effects on microbial dynamics are studied.

  5. Dynamic (G2) Model Design Document, 24590-WTP-MDD-PR-01-002, Rev. 12

    SciTech Connect (OSTI)

    Deng, Yueying; Kruger, Albert A.

    2013-12-16

    The Hanford Tank Waste Treatment and Immobilization Plant (WTP) Statement of Work (Department of Energy Contract DE-AC27-01RV14136, Section C) requires the contractor to develop and use process models for flowsheet analyses and pre-operational planning assessments. The Dynamic (G2) Flowsheet is a discrete-time process model that enables the project to evaluate impacts to throughput from eventdriven activities such as pumping, sampling, storage, recycle, separation, and chemical reactions. The model is developed by the Process Engineering (PE) department, and is based on the Flowsheet Bases, Assumptions, and Requirements Document (24590-WTP-RPT-PT-02-005), commonly called the BARD. The terminologies of Dynamic (G2) Flowsheet and Dynamic (G2) Model are interchangeable in this document. The foundation of this model is a dynamic material balance governed by prescribed initial conditions, boundary conditions, and operating logic. The dynamic material balance is achieved by tracking the storage and material flows within the plant as time increments. The initial conditions include a feed vector that represents the waste compositions and delivery sequence of the Tank Farm batches, and volumes and concentrations of solutions in process equipment before startup. The boundary conditions are the physical limits of the flowsheet design, such as piping, volumes, flowrates, operation efficiencies, and physical and chemical environments that impact separations, phase equilibriums, and reaction extents. The operating logic represents the rules and strategies of running the plant.

  6. Development of microbial-enzyme-mediated decomposition model parameters through steady-state and dynamic analyses

    SciTech Connect (OSTI)

    Wang, Gangsheng; Post, Wilfred M; Mayes, Melanie

    2013-01-01

    We developed a Microbial-ENzyme-mediated Decomposition (MEND) model, based on the Michaelis-Menten kinetics, that describes the dynamics of physically defined pools of soil organic matter (SOC). These include particulate, mineral-associated, dissolved organic matter (POC, MOC, and DOC, respectively), microbial biomass, and associated exoenzymes. The ranges and/or distributions of parameters were determined by both analytical steady-state and dynamic analyses with SOC data from the literature. We used an improved multi-objective parameter sensitivity analysis (MOPSA) to identify the most important parameters for the full model: maintenance of microbial biomass, turnover and synthesis of enzymes, and carbon use efficiency (CUE). The model predicted an increase of 2 C (baseline temperature =12 C) caused the pools of POC-Cellulose, MOC, and total SOC to increase with dynamic CUE and decrease with constant CUE, as indicated by the 50% confidence intervals. Regardless of dynamic or constant CUE, the pool sizes of POC, MOC, and total SOC varied from 8% to 8% under +2 C. The scenario analysis using a single parameter set indicates that higher temperature with dynamic CUE might result in greater net increases in both POC-Cellulose and MOC pools. Different dynamics of various SOC pools reflected the catalytic functions of specific enzymes targeting specific substrates and the interactions between microbes, enzymes, and SOC. With the feasible parameter values estimated in this study, models incorporating fundamental principles of microbial-enzyme dynamics can lead to simulation results qualitatively different from traditional models with fast/slow/passive pools.

  7. Parameter Estimation and Model Validation of Nonlinear Dynamical Networks

    SciTech Connect (OSTI)

    Abarbanel, Henry; Gill, Philip

    2015-03-31

    In the performance period of this work under a DOE contract, the co-PIs, Philip Gill and Henry Abarbanel, developed new methods for statistical data assimilation for problems of DOE interest, including geophysical and biological problems. This included numerical optimization algorithms for variational principles, new parallel processing Monte Carlo routines for performing the path integrals of statistical data assimilation. These results have been summarized in the monograph: “Predicting the Future: Completing Models of Observed Complex Systems” by Henry Abarbanel, published by Spring-Verlag in June 2013. Additional results and details have appeared in the peer reviewed literature.

  8. Multiple dynamical resonances in a discrete neuronal model

    SciTech Connect (OSTI)

    Jiang Yu

    2005-05-01

    The conditions for the occurrence of different multiple resonances in an excitable neuron model are analyzed numerically. It is shown that the excitable system may display both stochastic and coherence resonance, in response to periodic stimuli in the presence of different intensities of additive and parametric noises. It is found that double coherence resonances may take place in the low-amplitude oscillation regimes, and coherence resonance may persists even in the weak oscillatory regimes for control parameters slightly larger than the Hopf bifurcation point, where the system is in the incipient stage of large-amplitude excitation regime.

  9. Modeling aspects of the dynamic response of heterogeneous materials

    SciTech Connect (OSTI)

    Ionita, Axinte; Clements, Brad; Mas, Eric

    2009-01-01

    In numerical simulations of engineering applications involving heterogeneous materials capturing the local response coming from a distribution of heterogeneities can lead to a very large model thus making simulations difficult. The use of homogenization techniques can reduce the size of the problem but will miss the local effects. Homogenization can also be difficult if the constituents obey different types of constitutive laws. Additional complications arise if inelastic deformation. In such cases a two-scale approach is prefened and tills work addresses these issues in the context of a two-scale Finite Element Method (FEM). Examples of using two-scale FEM approaches are presented.

  10. Advanced Neutron Source Dynamic Model (ANSDM) code description and user guide

    SciTech Connect (OSTI)

    March-Leuba, J.

    1995-08-01

    A mathematical model is designed that simulates the dynamic behavior of the Advanced Neutron Source (ANS) reactor. Its main objective is to model important characteristics of the ANS systems as they are being designed, updated, and employed; its primary design goal, to aid in the development of safety and control features. During the simulations the model is also found to aid in making design decisions for thermal-hydraulic systems. Model components, empirical correlations, and model parameters are discussed; sample procedures are also given. Modifications are cited, and significant development and application efforts are noted focusing on examination of instrumentation required during and after accidents to ensure adequate monitoring during transient conditions.

  11. Update on Small Modular Reactors Dynamics System Modeling Tool -- Molten Salt Cooled Architecture

    SciTech Connect (OSTI)

    Hale, Richard Edward; Cetiner, Sacit M.; Fugate, David L.; Qualls, A L.; Borum, Robert C.; Chaleff, Ethan S.; Rogerson, Doug W.; Batteh, John J.; Tiller, Michael M.

    2014-08-01

    The Small Modular Reactor (SMR) Dynamic System Modeling Tool project is in the third year of development. The project is designed to support collaborative modeling and study of various advanced SMR (non-light water cooled) concepts, including the use of multiple coupled reactors at a single site. The objective of the project is to provide a common simulation environment and baseline modeling resources to facilitate rapid development of dynamic advanced reactor SMR models, ensure consistency among research products within the Instrumentation, Controls, and Human-Machine Interface (ICHMI) technical area, and leverage cross-cutting capabilities while minimizing duplication of effort. The combined simulation environment and suite of models are identified as the Modular Dynamic SIMulation (MoDSIM) tool. The critical elements of this effort include (1) defining a standardized, common simulation environment that can be applied throughout the program, (2) developing a library of baseline component modules that can be assembled into full plant models using existing geometry and thermal-hydraulic data, (3) defining modeling conventions for interconnecting component models, and (4) establishing user interfaces and support tools to facilitate simulation development (i.e., configuration and parameterization), execution, and results display and capture.

  12. A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems

    SciTech Connect (OSTI)

    Smith, Kyle K. G.; Poulsen, Jens Aage Nyman, Gunnar; Rossky, Peter J.

    2015-06-28

    We develop two classes of quasi-classical dynamics that are shown to conserve the initial quantum ensemble when used in combination with the Feynman-Kleinert approximation of the density operator. These dynamics are used to improve the Feynman-Kleinert implementation of the classical Wigner approximation for the evaluation of quantum time correlation functions known as Feynman-Kleinert linearized path-integral. As shown, both classes of dynamics are able to recover the exact classical and high temperature limits of the quantum time correlation function, while a subset is able to recover the exact harmonic limit. A comparison of the approximate quantum time correlation functions obtained from both classes of dynamics is made with the exact results for the challenging model problems of the quartic and double-well potentials. It is found that these dynamics provide a great improvement over the classical Wigner approximation, in which purely classical dynamics are used. In a special case, our first method becomes identical to centroid molecular dynamics.

  13. Modeling ramp compression experiments using large-scale molecular dynamics simulation.

    SciTech Connect (OSTI)

    Mattsson, Thomas Kjell Rene; Desjarlais, Michael Paul; Grest, Gary Stephen; Templeton, Jeremy Alan; Thompson, Aidan Patrick; Jones, Reese E.; Zimmerman, Jonathan A.; Baskes, Michael I.; Winey, J. Michael; Gupta, Yogendra Mohan; Lane, J. Matthew D.; Ditmire, Todd; Quevedo, Hernan J.

    2011-10-01

    Molecular dynamics simulation (MD) is an invaluable tool for studying problems sensitive to atomscale physics such as structural transitions, discontinuous interfaces, non-equilibrium dynamics, and elastic-plastic deformation. In order to apply this method to modeling of ramp-compression experiments, several challenges must be overcome: accuracy of interatomic potentials, length- and time-scales, and extraction of continuum quantities. We have completed a 3 year LDRD project with the goal of developing molecular dynamics simulation capabilities for modeling the response of materials to ramp compression. The techniques we have developed fall in to three categories (i) molecular dynamics methods (ii) interatomic potentials (iii) calculation of continuum variables. Highlights include the development of an accurate interatomic potential describing shock-melting of Beryllium, a scaling technique for modeling slow ramp compression experiments using fast ramp MD simulations, and a technique for extracting plastic strain from MD simulations. All of these methods have been implemented in Sandia's LAMMPS MD code, ensuring their widespread availability to dynamic materials research at Sandia and elsewhere.

  14. Dynamic Modeling of Adjustable-Speed Pumped Storage Hydropower Plant: Preprint

    SciTech Connect (OSTI)

    Muljadi, E.; Singh, M.; Gevorgian, V.; Mohanpurkar, M.; Havsapian, R.; Koritarov, V.

    2015-04-06

    Hydropower is the largest producer of renewable energy in the U.S. More than 60% of the total renewable generation comes from hydropower. There is also approximately 22 GW of pumped storage hydropower (PSH). Conventional PSH uses a synchronous generator, and thus the rotational speed is constant at synchronous speed. This work details a hydrodynamic model and generator/power converter dynamic model. The optimization of the hydrodynamic model is executed by the hydro-turbine controller, and the electrical output real/reactive power is controlled by the power converter. All essential controllers to perform grid-interface functions and provide ancillary services are included in the model.

  15. The Widom line and dynamical crossover in supercritical water: Popular water models versus experiments

    SciTech Connect (OSTI)

    Corradini, D.; Rovere, M.; Gallo, P.

    2015-09-21

    In a previous study [Gallo et al., Nat. Commun. 5, 5806 (2014)], we have shown an important connection between thermodynamic and dynamical properties of water in the supercritical region. In particular, by analyzing the experimental viscosity and the diffusion coefficient obtained in simulations performed using the TIP4P/2005 model, we have found that the line of response function maxima in the one phase region, the Widom line, is connected to a crossover from a liquid-like to a gas-like behavior of the transport coefficients. This is in agreement with recent experiments concerning the dynamics of supercritical simple fluids. We here show how different popular water models (TIP4P/2005, TIP4P, SPC/E, TIP5P, and TIP3P) perform in reproducing thermodynamic and dynamic experimental properties in the supercritical region. In particular, the comparison with experiments shows that all the analyzed models are able to qualitatively predict the dynamical crossover from a liquid-like to a gas-like behavior upon crossing the Widom line. Some of the models perform better in reproducing the pressure-temperature slope of the Widom line of supercritical water once a rigid shift of the phase diagram is applied to bring the critical points to coincide with the experimental ones.

  16. Overview of the synergia 3-D multi-particle dynamics modeling framework

    SciTech Connect (OSTI)

    Spentzouris, P.; Amundson, J.F.; Dechow, D.R.; /Tech-X, Boulder

    2005-05-01

    High precision modeling of space-charge effects is essential for designing future accelerators as well as optimizing the performance of existing machines. Synergia is a high-fidelity parallel beam dynamics simulation package with fully three dimensional space-charge capabilities and a higher-order optics implementation. We describe the Synergia framework and model benchmarks we obtained by comparing to semi-analytic results and other codes. We also present Synergia simulations of the Fermilab Booster accelerator and comparisons with experiment.

  17. Dynamical Coupled-Channel Model of Meson Production Reactions in the Nucleon Resonance Region

    SciTech Connect (OSTI)

    T.-S. H. Lee; A. Matsuyama; T. Sato

    2006-11-15

    A dynamical coupled-channel model is presented for investigating the nucleon resonances (N*) in the meson production reactions induced by pions and photons. Our objective is to extract the N* parameters and to investigate the meson production reaction mechanisms for mapping out the quark-gluon substructure of N* from the data. The model is based on an energy-independent Hamiltonian which is derived from a set of Lagrangians by using a unitary transformation method.

  18. Experimental estimation of dynamic plastic bending moments by plastic hinge models

    SciTech Connect (OSTI)

    Sogo, T.; Ujihashi, S.; Matsumoto, H.; Adachi, T.

    1995-12-31

    In the present paper, the experimental estimation of dynamic plastic bending moments for metallic materials is investigated. The three-point bending, test under impact and static loads is applied to aluminum alloy (JIS A6063S) and mild steel (JIS SS400). It is confirmed that tile dynamic bending deformations in three-point bending test can be modeled as a plastic hinge, tile experimental results show that the consumed energies of the specimens are proportional to the bending angles. The ratio of the consumed energy to the bending angle is approximately equal to the plastic bending moment. In the case of aluminum alloy, the dynamic plastic bending moments for the different average bending angular velocities coincide with the static plastic bending moments. On the other hand, in the case of mild steel, the dynamic plastic bending moments are proportional to the average bending angular velocities. As a result, we confirm that the present method based on the plastic hinge model and the consumed energy is efficient for determining tile dynamic plastic bending moment.

  19. Technical Review of the CENWP Computational Fluid Dynamics Model of the John Day Dam Forebay

    SciTech Connect (OSTI)

    Rakowski, Cynthia L.; Serkowski, John A.; Richmond, Marshall C.

    2010-12-01

    The US Army Corps of Engineers Portland District (CENWP) has developed a computational fluid dynamics (CFD) model of the John Day forebay on the Columbia River to aid in the development and design of alternatives to improve juvenile salmon passage at the John Day Project. At the request of CENWP, Pacific Northwest National Laboratory (PNNL) Hydrology Group has conducted a technical review of CENWP's CFD model run in CFD solver software, STAR-CD. PNNL has extensive experience developing and applying 3D CFD models run in STAR-CD for Columbia River hydroelectric projects. The John Day forebay model developed by CENWP is adequately configured and validated. The model is ready for use simulating forebay hydraulics for structural and operational alternatives. The approach and method are sound, however CENWP has identified some improvements that need to be made for future models and for modifications to this existing model.

  20. DYNAMIC MODELING STRATEGY FOR FLOW REGIME TRANSITION IN GAS-LIQUID TWO-PHASE FLOWS

    SciTech Connect (OSTI)

    X. Wang; X. Sun; H. Zhao

    2011-09-01

    In modeling gas-liquid two-phase flows, the concept of flow regime has been used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are often flow regime dependent. Currently, the determination of the flow regimes is primarily based on flow regime maps or transition criteria, which are developed for steady-state, fully-developed flows and widely applied in nuclear reactor system safety analysis codes, such as RELAP5. As two-phase flows are observed to be dynamic in nature (fully-developed two-phase flows generally do not exist in real applications), it is of importance to model the flow regime transition dynamically for more accurate predictions of two-phase flows. The present work aims to develop a dynamic modeling strategy for determining flow regimes in gas-liquid two-phase flows through the introduction of interfacial area transport equations (IATEs) within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation and destruction of the interfacial area, such as the fluid particle (bubble or liquid droplet) disintegration, boiling and evaporation; and fluid particle coalescence and condensation, respectively. For the flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shape (which are correlated), namely small bubbles and large bubbles. A preliminary approach to dynamically identifying the flow regimes is provided, in which discriminators are based on the predicted information, such as the void fraction and interfacial area concentration of small bubble and large bubble groups. This method is expected to be applied to computer codes to improve their predictive capabilities of gas-liquid two-phase flows, in particular for the applications in

  1. Dynamic Modeling Strategy for Flow Regime Transition in Gas-Liquid Two-Phase Flows

    SciTech Connect (OSTI)

    Xia Wang; Xiaodong Sun; Benjamin Doup; Haihua Zhao

    2012-12-01

    In modeling gas-liquid two-phase flows, the concept of flow regimes has been widely used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are flow regime dependent. Current nuclear reactor safety analysis codes, such as RELAP5, classify flow regimes using flow regime maps or transition criteria that were developed for steady-state, fully-developed flows. As twophase flows are dynamic in nature, it is important to model the flow regime transitions dynamically to more accurately predict the two-phase flows. The present work aims to develop a dynamic modeling strategy to determine flow regimes in gas-liquid two-phase flows through introduction of interfacial area transport equations (IATEs) within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation of the interfacial area, fluid particle (bubble or liquid droplet) disintegration, boiling and evaporation, and the destruction of the interfacial area, fluid particle coalescence and condensation. For flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shapes, namely group-1 and group-2 bubbles. A preliminary approach to dynamically identify the flow regimes is discussed, in which discriminator s are based on the predicted information, such as the void fraction and interfacial area concentration. The flow regime predicted with this method shows good agreement with the experimental observations.

  2. Environmental patterns from free trade: Implications from dynamic NAFTA models of Mexico

    SciTech Connect (OSTI)

    Gale, L.R.

    1994-12-31

    Studies of the economic impact on Mexico from joining the North American Free Trade Agreement (NAFTA) point to significant dynamic gains from trade. Few studies, however, have effectively related these changes in economic variables to changes in environmental variables. Using sector-share relationships and projections of income growth from dynamic computable general equilibrium models of Mexico, several possible time paths for carbon dioxide emissions are derived. Various scenarios of trade and investment liberalization and increased fuel efficiency under NAFTA result in simulated pollution paths of carbon dioxide that show a reduction in not only the amount of emissions but also in rate of growth of emissions.

  3. On the characteristics of aerosol indirect effect based on dynamic regimes in global climate models

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

    Zhang, S.; Wang, M.; Ghan, S. J.; Ding, A.; Wang, H.; Zhang, K.; Neubauer, D.; Lohmann, U.; Ferrachat, S.; Takeamura, T.; et al

    2015-09-02

    Aerosol-cloud interactions continue to constitute a major source of uncertainty for the estimate of climate radiative forcing. The variation of aerosol indirect effects (AIE) in climate models is investigated across different dynamical regimes, determined by monthly mean 500 hPa vertical pressure velocity (?500), lower-tropospheric stability (LTS) and large-scale surface precipitation rate derived from several global climate models (GCMs), with a focus on liquid water path (LWP) response to cloud condensation nuclei (CCN) concentrations. The LWP sensitivity to aerosol perturbation within dynamic regimes is found to exhibit a large spread among these GCMs. It is in regimes of strong large-scale ascendmore(?500 ?1) and low clouds (stratocumulus and trade wind cumulus) where the models differ most. Shortwave aerosol indirect forcing is also found to differ significantly among different regimes. Shortwave aerosol indirect forcing in ascending regimes is as large as that in stratocumulus regimes, which indicates that regimes with strong large-scale ascend are as important as stratocumulus regimes in studying AIE. It is further shown that shortwave aerosol indirect forcing over regions with high monthly large-scale surface precipitation rate (> 0.1 mm d?1) contributes the most to the total aerosol indirect forcing (from 64 to nearly 100 %). Results show that the uncertainty in AIE is even larger within specific dynamical regimes than that globally, pointing to the need to reduce the uncertainty in AIE in different dynamical regimes.less

  4. Comparison of bifurcation dynamics of turbulent transport models for the L-H transition

    SciTech Connect (OSTI)

    Weymiens, W. Blank, H. J. de; Hogeweij, G. M. D.; Paquay, S.

    2014-05-15

    In more than three decades, a large amount of models and mechanisms have been proposed to describe a very beneficial feature of magnetically confined fusion plasmas: the L-H transition. Bifurcation theory can be used to compare these different models based on their dynamical transition structure. In this paper, we employ bifurcation theory to distinguish two fundamentally different descriptions of the interaction between turbulence levels and sheared flows. The analytic bifurcation analysis characterises the parameter space structure of the transition dynamics. Herewith, in these models three dynamically different types of transitions are characterised, sharp transitions, oscillatory transitions, and smooth transitions. One of the two models has a very robust transition structure and is therefore likely to be more accurate for such a robust phenomenon as the L-H transition. The other model needs more fine-tuning to get non-oscillatory transitions. These conclusions from the analytic bifurcation analysis are confirmed by dedicated numerical simulations, with the newly developed code Bifurcator.

  5. Using a dynamic point-source percolation model to simulate bubble growth.

    SciTech Connect (OSTI)

    Zimmerman, Jonathan A.; Zeigler, David A.; Cowgill, Donald F.

    2004-05-01

    Accurate modeling of nucleation, growth and clustering of helium bubbles within metal tritide alloys is of high scientific and technological importance. Of interest is the ability to predict both the distribution of these bubbles and the manner in which these bubbles interact at a critical concentration of helium-to-metal atoms to produce an accelerated release of helium gas. One technique that has been used in the past to model these materials, and again revisited in this research, is percolation theory. Previous efforts have used classical percolation theory to qualitatively and quantitatively model the behavior of interstitial helium atoms in a metal tritide lattice; however, higher fidelity models are needed to predict the distribution of helium bubbles and include features that capture the underlying physical mechanisms present in these materials. In this work, we enhance classical percolation theory by developing the dynamic point-source percolation model. This model alters the traditionally binary character of site occupation probabilities by enabling them to vary depending on proximity to existing occupied sites, i.e. nucleated bubbles. This revised model produces characteristics for one and two dimensional systems that are extremely comparable with measurements from three dimensional physical samples. Future directions for continued development of the dynamic model are also outlined.

  6. Dynamic model based on voltage transfer curve for pattern formation in dielectric barrier glow discharge

    SciTech Connect (OSTI)

    Li, Ben; He, Feng; Ouyang, Jiting; Duan, Xiaoxi

    2015-12-15

    Simulation work is very important for understanding the formation of self-organized discharge patterns. Previous works have witnessed different models derived from other systems for simulation of discharge pattern, but most of these models are complicated and time-consuming. In this paper, we introduce a convenient phenomenological dynamic model based on the basic dynamic process of glow discharge and the voltage transfer curve (VTC) to study the dielectric barrier glow discharge (DBGD) pattern. VTC is an important characteristic of DBGD, which plots the change of wall voltage after a discharge as a function of the initial total gap voltage. In the modeling, the combined effect of the discharge conditions is included in VTC, and the activation-inhibition effect is expressed by a spatial interaction term. Besides, the model reduces the dimensionality of the system by just considering the integration effect of current flow. All these greatly facilitate the construction of this model. Numerical simulations turn out to be in good accordance with our previous fluid modeling and experimental result.

  7. Modeling dynamic stall on wind turbine blades under rotationally augmented flow fields

    SciTech Connect (OSTI)

    Guntur, S.; Schreck, S.; Sorensen, N. N.; Bergami, L.

    2015-04-22

    It is well known that airfoils under unsteady flow conditions with a periodically varying angle of attack exhibit aerodynamic characteristics different from those under steady flow conditions, a phenomenon commonly known as dynamic stall. It is also well known that the steady aerodynamic characteristics of airfoils in the inboard region of a rotating blade differ from those under steady two-dimensional (2D) flow conditions, a phenomenon commonly known as rotational augmentation. This paper presents an investigation of these two phenomena together in the inboard parts of wind turbine blades. This analysis is carried out using data from three sources: (1) the National Renewable Energy Laboratory’s Unsteady Aerodynamics Experiment Phase VI experimental data, including constant as well as continuously pitching blade conditions during axial operation, (2) data from unsteady Delayed Detached Eddy Simulations (DDES) carried out using the Technical University of Denmark’s in-house flow solver Ellipsys3D, and (3) data from a simplified model based on the blade element momentum method with a dynamic stall subroutine that uses rotationally augmented steady-state polars obtained from steady Phase VI experimental sequences, instead of the traditional 2D nonrotating data. The aim of this work is twofold. First, the blade loads estimated by the DDES simulations are compared to three select cases of the N sequence experimental data, which serves as a validation of the DDES method. Results show reasonable agreement between the two data in two out of three cases studied. Second, the dynamic time series of the lift and the moment polars obtained from the experiments are compared to those from the dynamic stall subroutine that uses the rotationally augmented steady polars. This allowed the differences between the stall phenomenon on the inboard parts of harmonically pitching blades on a rotating wind turbine and the classic dynamic stall representation in 2D flow to be

  8. Three-Phase Unbalanced Transient Dynamics and Powerflow for Modeling Distribution Systems With Synchronous Machines

    SciTech Connect (OSTI)

    Elizondo, Marcelo A.; Tuffner, Francis K.; Schneider, Kevin P.

    2016-01-01

    Unlike transmission systems, distribution feeders in North America operate under unbalanced conditions at all times, and generally have a single strong voltage source. When a distribution feeder is connected to a strong substation source, the system is dynamically very stable, even for large transients. However if a distribution feeder, or part of the feeder, is separated from the substation and begins to operate as an islanded microgrid, transient dynamics become more of an issue. To assess the impact of transient dynamics at the distribution level, it is not appropriate to use traditional transmission solvers, which generally assume transposed lines and balanced loads. Full electromagnetic solvers capture a high level of detail, but it is difficult to model large systems because of the required detail. This paper proposes an electromechanical transient model of synchronous machine for distribution-level modeling and microgrids. This approach includes not only the machine model, but also its interface with an unbalanced network solver, and a powerflow method to solve unbalanced conditions without a strong reference bus. The presented method is validated against a full electromagnetic transient simulation.

  9. Geometric phase effects in low-energy dynamics near conical intersections: A study of the multidimensional linear vibronic coupling model

    SciTech Connect (OSTI)

    Joubert-Doriol, Loc; Ryabinkin, Ilya G.; Izmaylov, Artur F.; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6

    2013-12-21

    In molecular systems containing conical intersections (CIs), a nontrivial geometric phase (GP) appears in the nuclear and electronic wave functions in the adiabatic representation. We study GP effects in nuclear dynamics of an N-dimensional linear vibronic coupling (LVC) model. The main impact of GP on low-energy nuclear dynamics is reduction of population transfer between the local minima of the LVC lower energy surface. For the LVC model, we proposed an isometric coordinate transformation that confines non-adiabatic effects within a two-dimensional subsystem interacting with an N ? 2 dimensional environment. Since environmental modes do not couple electronic states, all GP effects originate from nuclear dynamics within the subsystem. We explored when the GP affects nuclear dynamics of the isolated subsystem, and how the subsystem-environment interaction can interfere with GP effects. Comparing quantum dynamics with and without GP allowed us to devise simple rules to determine significance of the GP for nuclear dynamics in this model.

  10. A moist aquaplanet variant of the HeldSuarez test for atmospheric model dynamical cores

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

    Thatcher, D. R.; Jablonowski, C.

    2015-09-29

    A moist idealized test case (MITC) for atmospheric model dynamical cores is presented. The MITC is based on the HeldSuarez (HS) test that was developed for dry simulations on a flat Earth and replaces the full physical parameterization package with a Newtonian temperature relaxation and Rayleigh damping of the low-level winds. This new variant of the HS test includes moisture and thereby sheds light on the non-linear dynamics-physics moisture feedbacks without the complexity of full physics parameterization packages. In particular, it adds simplified moist processes to the HS forcing to model large-scale condensation, boundary layer mixing, and the exchange ofmorelatent and sensible heat between the atmospheric surface and an ocean-covered planet. Using a variety of dynamical cores of NCAR's Community Atmosphere Model (CAM), this paper demonstrates that the inclusion of the moist idealized physics package leads to climatic states that closely resemble aquaplanet simulations with complex physical parameterizations. This establishes that the MITC approach generates reasonable atmospheric circulations and can be used for a broad range of scientific investigations. This paper provides examples of two application areas. First, the test case reveals the characteristics of the physics-dynamics coupling technique and reproduces coupling issues seen in full-physics simulations. In particular, it is shown that sudden adjustments of the prognostic fields due to moist physics tendencies can trigger undesirable large-scale gravity waves, which can be remedied by a more gradual application of the physical forcing. Second, the moist idealized test case can be used to intercompare dynamical cores. These examples demonstrate the versatility of the MITC approach and suggestions are made for further application areas. The new moist variant of the HS test can be considered a test case of intermediate complexity.less

  11. A dynamical model for condition monitoring and fault diagnostics of spur gears

    SciTech Connect (OSTI)

    Paya, B.; Esat, I.; Badi, M.N.M.

    1996-12-31

    The symptoms of condition monitoring and fault diagnostics of machinery based on the dynamic modelling of spur gears are discussed in this paper. The mathematical model presented in the earlier work, assumes two degree of freedom for each gear and the rotor, and also incorporates a varying gear tooth stiffness. This system is assumed to be in good condition (i.e. no fault present). The results obtained from this analytical model are compared with the ones obtained from an experimental model gearbox. This experimental gearbox consists of two meshing spur gears driven by an electric motor. The comparison of the results are encouraging as fundamental (dominant) frequencies of the analytical results correlates very closely to the experimental ones. It is shown that certain vibration frequency of a real gearbox such as the tooth meshing frequencies can be achieved from its mathematical model.

  12. Control method and system for hydraulic machines employing a dynamic joint motion model

    DOE Patents [OSTI]

    Danko, George

    2011-11-22

    A control method and system for controlling a hydraulically actuated mechanical arm to perform a task, the mechanical arm optionally being a hydraulically actuated excavator arm. The method can include determining a dynamic model of the motion of the hydraulic arm for each hydraulic arm link by relating the input signal vector for each respective link to the output signal vector for the same link. Also the method can include determining an error signal for each link as the weighted sum of the differences between a measured position and a reference position and between the time derivatives of the measured position and the time derivatives of the reference position for each respective link. The weights used in the determination of the error signal can be determined from the constant coefficients of the dynamic model. The error signal can be applied in a closed negative feedback control loop to diminish or eliminate the error signal for each respective link.

  13. LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials.

    SciTech Connect (OSTI)

    Robbins, Joshua; Dingreville, Remi Philippe Michel; Voth, Thomas Eugene; Furnish, Michael David

    2013-12-01

    Material response to dynamic loading is often dominated by microstructure (grain structure, porosity, inclusions, defects). An example critically important to Sandia's mission is dynamic strength of polycrystalline metals where heterogeneities lead to localization of deformation and loss of shear strength. Microstructural effects are of broad importance to the scientific community and several institutions within DoD and DOE; however, current models rely on inaccurate assumptions about mechanisms at the sub-continuum or mesoscale. Consequently, there is a critical need for accurate and robust methods for modeling heterogeneous material response at this lower length scale. This report summarizes work performed as part of an LDRD effort (FY11 to FY13; project number 151364) to meet these needs.

  14. A model of lipid-free Apolipoprotein A-I revealed by iterative molecular dynamics simulation

    SciTech Connect (OSTI)

    Zhang, Xing; Lei, Dongsheng; Zhang, Lei; Rames, Matthew; Zhang, Shengli

    2015-03-20

    Apolipoprotein A-I (apo A-I), the major protein component of high-density lipoprotein, has been proven inversely correlated to cardiovascular risk in past decades. The lipid-free state of apo A-I is the initial stage which binds to lipids forming high-density lipoprotein. Molecular models of lipid-free apo A-I have been reported by methods like X-ray crystallography and chemical cross-linking/mass spectrometry (CCL/MS). Through structural analysis we found that those current models had limited consistency with other experimental results, such as those from hydrogen exchange with mass spectrometry. Through molecular dynamics simulations, we also found those models could not reach a stable equilibrium state. Therefore, by integrating various experimental results, we proposed a new structural model for lipidfree apo A-I, which contains a bundled four-helix N-terminal domain (1–192) that forms a variable hydrophobic groove and a mobile short hairpin C-terminal domain (193–243). This model exhibits an equilibrium state through molecular dynamics simulation and is consistent with most of the experimental results known from CCL/MS on lysine pairs, fluorescence resonance energy transfer and hydrogen exchange. This solution-state lipid-free apo A-I model may elucidate the possible conformational transitions of apo A-I binding with lipids in high-density lipoprotein formation.

  15. A model of lipid-free Apolipoprotein A-I revealed by iterative molecular dynamics simulation

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

    Zhang, Xing; Lei, Dongsheng; Zhang, Lei; Rames, Matthew; Zhang, Shengli

    2015-03-20

    Apolipoprotein A-I (apo A-I), the major protein component of high-density lipoprotein, has been proven inversely correlated to cardiovascular risk in past decades. The lipid-free state of apo A-I is the initial stage which binds to lipids forming high-density lipoprotein. Molecular models of lipid-free apo A-I have been reported by methods like X-ray crystallography and chemical cross-linking/mass spectrometry (CCL/MS). Through structural analysis we found that those current models had limited consistency with other experimental results, such as those from hydrogen exchange with mass spectrometry. Through molecular dynamics simulations, we also found those models could not reach a stable equilibrium state. Therefore,more » by integrating various experimental results, we proposed a new structural model for lipidfree apo A-I, which contains a bundled four-helix N-terminal domain (1–192) that forms a variable hydrophobic groove and a mobile short hairpin C-terminal domain (193–243). This model exhibits an equilibrium state through molecular dynamics simulation and is consistent with most of the experimental results known from CCL/MS on lysine pairs, fluorescence resonance energy transfer and hydrogen exchange. This solution-state lipid-free apo A-I model may elucidate the possible conformational transitions of apo A-I binding with lipids in high-density lipoprotein formation.« less

  16. An extended supersonic combustion model for the dynamic analysis of hypersonic vehicles. Interim Task Report

    SciTech Connect (OSTI)

    Bossard, J.A.; Peck, R.E.; Schmidt, D.K.

    1993-03-01

    The development of an advanced dynamic model for aeroelastic hypersonic vehicles powered by air breathing engines requires an adequate engine model. This report provides a discussion of some of the more important features of supersonic combustion and their relevance to the analysis and design of supersonic ramjet engines. Of particular interest are those aspects of combustion that impact the control of the process. Furthermore, the report summarizes efforts to enhance the aeropropulsive/aeroelastic dynamic model developed at the Aerospace Research Center of Arizona State University by focusing on combustion and improved modeling of this flow. The expanded supersonic combustor model described here has the capability to model the effects of friction, area change, and mass addition, in addition to the heat addition process. A comparison is made of the results from four cases: (1) heat addition only; (2) heat addition plus friction; (3) heat addition, friction, and area reduction, and (4) heat addition, friction, area reduction, and mass addition. The relative impact of these effects on the Mach number, static temperature, and static pressure distributions within the combustor are then shown. Finally, the effects of frozen versus equilibrium flow conditions within the exhaust plume is discussed.

  17. A Nonlocal Peridynamic Plasticity Model for the Dynamic Flow and Fracture of Concrete.

    SciTech Connect (OSTI)

    Vogler, Tracy; Lammi, Christopher James

    2014-10-01

    A nonlocal, ordinary peridynamic constitutive model is formulated to numerically simulate the pressure-dependent flow and fracture of heterogeneous, quasi-brittle ma- terials, such as concrete. Classical mechanics and traditional computational modeling methods do not accurately model the distributed fracture observed within this family of materials. The peridynamic horizon, or range of influence, provides a characteristic length to the continuum and limits localization of fracture. Scaling laws are derived to relate the parameters of peridynamic constitutive model to the parameters of the classical Drucker-Prager plasticity model. Thermodynamic analysis of associated and non-associated plastic flow is performed. An implicit integration algorithm is formu- lated to calculate the accumulated plastic bond extension and force state. The gov- erning equations are linearized and the simulation of the quasi-static compression of a cylinder is compared to the classical theory. A dissipation-based peridynamic bond failure criteria is implemented to model fracture and the splitting of a concrete cylinder is numerically simulated. Finally, calculation of the impact and spallation of a con- crete structure is performed to assess the suitability of the material and failure models for simulating concrete during dynamic loadings. The peridynamic model is found to accurately simulate the inelastic deformation and fracture behavior of concrete during compression, splitting, and dynamically induced spall. The work expands the types of materials that can be modeled using peridynamics. A multi-scale methodology for simulating concrete to be used in conjunction with the plasticity model is presented. The work was funded by LDRD 158806.

  18. Dynamic and impact contact mechanics of geologic materials: Grain-scale experiments and modeling

    SciTech Connect (OSTI)

    Cole, David M.; Hopkins, Mark A.; Ketcham, Stephen A.

    2013-06-18

    High fidelity treatments of the generation and propagation of seismic waves in naturally occurring granular materials is becoming more practical given recent advancements in our ability to model complex particle shapes and their mechanical interaction. Of particular interest are the grain-scale processes that are activated by impact events and the characteristics of force transmission through grain contacts. To address this issue, we have developed a physics based approach that involves laboratory experiments to quantify the dynamic contact and impact behavior of granular materials and incorporation of the observed behavior indiscrete element models. The dynamic experiments do not involve particle damage and emphasis is placed on measured values of contact stiffness and frictional loss. The normal stiffness observed in dynamic contact experiments at low frequencies (e.g., 10 Hz) are shown to be in good agreement with quasistatic experiments on quartz sand. The results of impact experiments - which involve moderate to extensive levels of particle damage - are presented for several types of naturally occurring granular materials (several quartz sands, magnesite and calcium carbonate ooids). Implementation of the experimental findings in discrete element models is discussed and the results of impact simulations involving up to 5 Multiplication-Sign 105 grains are presented.

  19. Development of a plant-wide dynamic model of an integrated gasification combined cycle (IGCC) plant

    SciTech Connect (OSTI)

    Bhattacharyya, D.; Turton, R.; Zitney, S.

    2009-01-01

    In this presentation, development of a plant-wide dynamic model of an advanced Integrated Gasification Combined Cycle (IGCC) plant with CO2 capture will be discussed. The IGCC reference plant generates 640 MWe of net power using Illinois No.6 coal as the feed. The plant includes an entrained, downflow, General Electric Energy (GEE) gasifier with a radiant syngas cooler (RSC), a two-stage water gas shift (WGS) conversion process, and two advanced 'F' class combustion turbines partially integrated with an elevated-pressure air separation unit (ASU). A subcritical steam cycle is considered for heat recovery steam generation. Syngas is selectively cleaned by a SELEXOL acid gas removal (AGR) process. Sulfur is recovered using a two-train Claus unit with tail gas recycle to the AGR. A multistage intercooled compressor is used for compressing CO2 to the pressure required for sequestration. Using Illinois No.6 coal, the reference plant generates 640 MWe of net power. The plant-wide steady-state and dynamic IGCC simulations have been generated using the Aspen Plus{reg_sign} and Aspen Plus Dynamics{reg_sign} process simulators, respectively. The model is generated based on the Case 2 IGCC configuration detailed in the study available in the NETL website1. The GEE gasifier is represented with a restricted equilibrium reactor model where the temperature approach to equilibrium for individual reactions can be modified based on the experimental data. In this radiant-only configuration, the syngas from the Radiant Syngas Cooler (RSC) is quenched in a scrubber. The blackwater from the scrubber bottom is further cleaned in the blackwater treatment plant. The cleaned water is returned back to the scrubber and also used for slurry preparation. The acid gas from the sour water stripper (SWS) is sent to the Claus plant. The syngas from the scrubber passes through a sour shift process. The WGS reactors are modeled as adiabatic plug flow reactors with rigorous kinetics based on the mid

  20. A spectral transform dynamical core option within the Community Atmosphere Model (CAM4)

    SciTech Connect (OSTI)

    Evans, Katherine J; Mahajan, Salil; Branstetter, Marcia L; McClean, Julie L.; Caron, Julie M.; Maltrud, Matthew E.; Hack, James J; Bader, David C; Neale, Rich

    2014-01-01

    A spectral transform dynamical core with an 85 spectral truncation resolution (T85) within the Community Atmosphere Model (CAM), version 4, is evaluated within the recently released Community Earth System Model, version 1.0 (CESM) global climate model. The spectral dynamical core option provides a well-known base within the climate model community from which to assess climate behavior and statistics, and its relative computational efficiency for smaller computing platforms allows it to be extended to perform climate length simulations using high-resolution configurations in the near term. To establish the characteristics of the CAM4 T85, an ensemble of simulations covering the present day observational period using forced sea surface temperatures and prescribed sea-ice extent are evaluated. Overall, the T85 ensemble attributes and biases are similar to a companion ensemble of simulations using the one degree finite volume (FV1) dynamical core, relative to observed and model derived datasets. Notable improvements with T85 compared to FV1 include the representation of wintertime Arctic sea level pressure and summer precipitation over the Western Indian subcontinent. The mean and spatial patterns of the land surface temperature trends over the AMIP period are generally well simulated with the T85 ensemble relative to observations, however the model is not able to capture the extent nor magnitude of changes in temperature extremes over the boreal summer, where the changes are most dramatic. Biases in the wintertime Arctic surface temperature and annual mean surface stress fields persist with T85 as with the CAM3 version of T85.

  1. Advanced High-Temperature Reactor Dynamic System Model Development: April 2012 Status

    SciTech Connect (OSTI)

    Qualls, A L; Cetiner, M S; Wilson, Jr, T L

    2012-04-30

    The Advanced High-Temperature Reactor (AHTR) is a large-output fluoride-salt-cooled high-temperature reactor (FHR). An early-phase preconceptual design of a 1500 MW(e) power plant was developed in 2011 [Refs. 1 and 2]. An updated version of this plant is shown as Fig. 1. FHRs feature low-pressure liquid fluoride salt cooling, coated-particle fuel, a high-temperature power cycle, and fully passive decay heat rejection. The AHTR is designed to be a “walk away” reactor that requires no action to prevent large off-site releases following even severe reactor accidents. This report describes the development of dynamic system models used to further the AHTR design toward that goal. These models predict system response during warmup, startup, normal operation, and limited off-normal operating conditions. Severe accidents that include a loss-of-fluid inventory are not currently modeled. The scope of the models is limited to the plant power system, including the reactor, the primary and intermediate heat transport systems, the power conversion system, and safety-related or auxiliary heat removal systems. The primary coolant system, the intermediate heat transport system and the reactor building structure surrounding them are shown in Fig. 2. These systems are modeled in the most detail because the passive interaction of the primary system with the surrounding structure and heat removal systems, and ultimately the environment, protects the reactor fuel and the vessel from damage during severe reactor transients. The reactor silo also plays an important role during system warmup. The dynamic system modeling tools predict system performance and response. The goal is to accurately predict temperatures and pressures within the primary, intermediate, and power conversion systems and to study the impacts of design changes on those responses. The models are design tools and are not intended to be used in reactor qualification. The important details to capture in the primary

  2. A graphical interface based model for wind turbine drive train dynamics

    SciTech Connect (OSTI)

    Manwell, J.F.; McGowan, J.G.; Abdulwahid, U.; Rogers, A.; McNiff, B.

    1996-12-31

    This paper presents a summary of a wind turbine drive train dynamics code that has been under development at the University of Massachusetts, under National Renewable Energy Laboratory (NREL) support. The code is intended to be used to assist in the proper design and selection of drive train components. This work summarizes the development of the equations of motion for the model, and discusses the method of solution. In addition, a number of comparisons with analytical solutions and experimental field data are given. The summary includes conclusions and suggestions for future work on the model. 13 refs., 10 figs.

  3. Equilibrium Response and Transient Dynamics Datasets from VEMAP: Vegetation/Ecosystem Modeling and Analysis Project

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

    Users of the VEMAP Portal can access input files of numerical data that include monthly and daily files of geographic data, soil and site files, scenario files, etc. Model results from Phase I, the Equilibrium Response datasets, are available through the NCAR anonymous FTP site at http://www.cgd.ucar.edu/vemap/vresults.html. Phase II, Transient Dynamics, include climate datasets, models results, and analysis tools. Many supplemental files are also available from the main data page at http://www.cgd.ucar.edu/vemap/datasets.html.

  4. Equilibrium Response and Transient Dynamics Datasets from VEMAP: Vegetation/Ecosystem Modeling and Analysis Project

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

    The Vegetation-Ecosystem Modeling and Analysis Project (VEMAP) was a large, collaborative, multi-agency program to simulate and understand ecosystem dynamics for the continental U.S. The project involved the development of common data sets for model input including a high-resolution topographically-adjusted climate history of the U.S. from 1895-1993 on a 0.5? grid, with soils and vegetation cover. The vegetation cover data set includes a detailed agricultural data base based on USDA statistics and remote sensing, as well as natural vegetation (also derived from satellite imagery). Two principal model experiments were run. First, a series of ecosystem models were run from 1895 to 1993 to simulate current ecosystem biogeochemistry. Second, these same models were integrated forward using the output from two climate system models (CCC (Canadian Climate Centre) and Hadley Centre models) using climate results translated into the VEMAP grid and re-adjusted for high-resolution topography for the simulated period 1994-2100.[Quoted from http://www.cgd.ucar.edu/vemap/findings.html] The VEMAP Data Portal is a central collection of files maintained and serviced by the NCAR Data Group. These files (the VEMAP Community Datasets) represent a complete and current collection of VEMAP data files. All data files available through the Data Portal have undergone extensive quality assurance.[Taken from http://www.cgd.ucar.edu/vemap/datasets.html] Users of the VEMAP Portal can access input files of numerical data that include monthly and daily files of geographic data, soil and site files, scenario files, etc. Model results from Phase I, the Equilibrium Response datasets, are available through the NCAR anonymous FTP site at http://www.cgd.ucar.edu/vemap/vresults.html. Phase II, Transient Dynamics, include climate datasets, models results, and analysis tools. Many supplemental files are also available from the main data page at http://www.cgd.ucar.edu/vemap/datasets.html.

  5. Modeling void formation dynamics in fibrous porous media with the lattice Boltzmann method

    SciTech Connect (OSTI)

    Spaid, M.A.A.; Phelan, F.R. Jr.

    1997-12-31

    A novel technique for simulating multiphase fluid flow in the microstructure of a fiber preform is developed, which has the capability of capturing the dynamics of void formation. The model is based on the lattice Boltzmann (LB) method -- a relatively new numerical technique which has rapidly emerged as a powerful tool for simulating multiphase fluid mechanics. The primary benefit of the lattice Boltzmann method is the ability to robustly model the interface between two immiscible fluids without the need for a complex interface tracking algorithm. In a previous paper, it was demonstrated that the lattice Boltzmann method may be modified to solve the Stokes/Brinkman formulation for flow in heterogeneous porous media. Multiphase infiltration of the fiber microstructure is modeled by combining the Stokes/Brinkman LB method, with the multiphase LB algorithm described by Shan and Chen. Numerical results are presented which compare void formation dynamics as a function of the nominal porosity for a model fiber microstructure. In addition, unsaturated permeabilities obtained from the numerical simulations are compared to saturated results for flow in the model porous microstructure.

  6. On the characteristics of aerosol indirect effect based on dynamic regimes in global climate models

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

    Zhang, Shipeng; Wang, Minghuai; Ghan, Steven J.; Ding, Aijun; Wang, Hailong; Zhang, Kai; Neubauer, David; Lohmann, Ulrike; Ferrachat, Sylvaine; Takeamura, Toshihiko; et al

    2016-03-04

    Aerosol–cloud interactions continue to constitute a major source of uncertainty for the estimate of climate radiative forcing. The variation of aerosol indirect effects (AIE) in climate models is investigated across different dynamical regimes, determined by monthly mean 500 hPa vertical pressure velocity (ω500), lower-tropospheric stability (LTS) and large-scale surface precipitation rate derived from several global climate models (GCMs), with a focus on liquid water path (LWP) response to cloud condensation nuclei (CCN) concentrations. The LWP sensitivity to aerosol perturbation within dynamic regimes is found to exhibit a large spread among these GCMs. It is in regimes of strong large-scale ascentmore » (ω500  <  −25 hPa day−1) and low clouds (stratocumulus and trade wind cumulus) where the models differ most. Shortwave aerosol indirect forcing is also found to differ significantly among different regimes. Shortwave aerosol indirect forcing in ascending regimes is close to that in subsidence regimes, which indicates that regimes with strong large-scale ascent are as important as stratocumulus regimes in studying AIE. It is further shown that shortwave aerosol indirect forcing over regions with high monthly large-scale surface precipitation rate (> 0.1 mm day−1) contributes the most to the total aerosol indirect forcing (from 64 to nearly 100 %). Results show that the uncertainty in AIE is even larger within specific dynamical regimes compared to the uncertainty in its global mean values, pointing to the need to reduce the uncertainty in AIE in different dynamical regimes.« less

  7. A moist aquaplanet variant of the Held–Suarez test for atmospheric model dynamical cores

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

    Thatcher, Diana R.; Jablonowski, Christiane

    2016-04-04

    A moist idealized test case (MITC) for atmospheric model dynamical cores is presented. The MITC is based on the Held–Suarez (HS) test that was developed for dry simulations on “a flat Earth” and replaces the full physical parameterization package with a Newtonian temperature relaxation and Rayleigh damping of the low-level winds. This new variant of the HS test includes moisture and thereby sheds light on the nonlinear dynamics–physics moisture feedbacks without the complexity of full-physics parameterization packages. In particular, it adds simplified moist processes to the HS forcing to model large-scale condensation, boundary-layer mixing, and the exchange of latent and sensible heat betweenmore » the atmospheric surface and an ocean-covered planet. Using a variety of dynamical cores of the National Center for Atmospheric Research (NCAR)'s Community Atmosphere Model (CAM), this paper demonstrates that the inclusion of the moist idealized physics package leads to climatic states that closely resemble aquaplanet simulations with complex physical parameterizations. This establishes that the MITC approach generates reasonable atmospheric circulations and can be used for a broad range of scientific investigations. This paper provides examples of two application areas. First, the test case reveals the characteristics of the physics–dynamics coupling technique and reproduces coupling issues seen in full-physics simulations. In particular, it is shown that sudden adjustments of the prognostic fields due to moist physics tendencies can trigger undesirable large-scale gravity waves, which can be remedied by a more gradual application of the physical forcing. Second, the moist idealized test case can be used to intercompare dynamical cores. These examples demonstrate the versatility of the MITC approach and suggestions are made for further application areas. The new moist variant of the HS test can be considered a test case of intermediate complexity.« less

  8. Stochastic dynamics of small ensembles of non-processive molecular motors: The parallel cluster model

    SciTech Connect (OSTI)

    Erdmann, Thorsten; Albert, Philipp J.; Schwarz, Ulrich S.

    2013-11-07

    Non-processive molecular motors have to work together in ensembles in order to generate appreciable levels of force or movement. In skeletal muscle, for example, hundreds of myosin II molecules cooperate in thick filaments. In non-muscle cells, by contrast, small groups with few tens of non-muscle myosin II motors contribute to essential cellular processes such as transport, shape changes, or mechanosensing. Here we introduce a detailed and analytically tractable model for this important situation. Using a three-state crossbridge model for the myosin II motor cycle and exploiting the assumptions of fast power stroke kinetics and equal load sharing between motors in equivalent states, we reduce the stochastic reaction network to a one-step master equation for the binding and unbinding dynamics (parallel cluster model) and derive the rules for ensemble movement. We find that for constant external load, ensemble dynamics is strongly shaped by the catch bond character of myosin II, which leads to an increase of the fraction of bound motors under load and thus to firm attachment even for small ensembles. This adaptation to load results in a concave force-velocity relation described by a Hill relation. For external load provided by a linear spring, myosin II ensembles dynamically adjust themselves towards an isometric state with constant average position and load. The dynamics of the ensembles is now determined mainly by the distribution of motors over the different kinds of bound states. For increasing stiffness of the external spring, there is a sharp transition beyond which myosin II can no longer perform the power stroke. Slow unbinding from the pre-power-stroke state protects the ensembles against detachment.

  9. A moist aquaplanet variant of the Held–Suarez test for atmospheric model dynamical cores

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

    Thatcher, Diana R.; Jablonowski, Christiane

    2016-04-04

    A moist idealized test case (MITC) for atmospheric model dynamical cores is presented. The MITC is based on the Held–Suarez (HS) test that was developed for dry simulations on “a flat Earth” and replaces the full physical parameterization package with a Newtonian temperature relaxation and Rayleigh damping of the low-level winds. This new variant of the HS test includes moisture and thereby sheds light on the nonlinear dynamics–physics moisture feedbacks without the complexity of full-physics parameterization packages. In particular, it adds simplified moist processes to the HS forcing to model large-scale condensation, boundary-layer mixing, and the exchange of latent and sensible heat betweenmore » the atmospheric surface and an ocean-covered planet. Using a variety of dynamical cores of the National Center for Atmospheric Research (NCAR)'s Community Atmosphere Model (CAM), this paper demonstrates that the inclusion of the moist idealized physics package leads to climatic states that closely resemble aquaplanet simulations with complex physical parameterizations. This establishes that the MITC approach generates reasonable atmospheric circulations and can be used for a broad range of scientific investigations. This paper provides examples of two application areas. First, the test case reveals the characteristics of the physics–dynamics coupling technique and reproduces coupling issues seen in full-physics simulations. In particular, it is shown that sudden adjustments of the prognostic fields due to moist physics tendencies can trigger undesirable large-scale gravity waves, which can be remedied by a more gradual application of the physical forcing. Second, the moist idealized test case can be used to intercompare dynamical cores. These examples demonstrate the versatility of the MITC approach and suggestions are made for further application areas. Furthermore, the new moist variant of the HS test can be considered a test case of intermediate

  10. Numerical models for static denting and dynamic puncture of gas transmission linepipe and their validation

    SciTech Connect (OSTI)

    Zarea, M.F.; Toumbas, D.N.; Philibert, C.E.; Deo, I.

    1996-12-31

    Gas transmission pipe resistance to external damage is a subject of great attention at Gaz de France and in Europe. Existing results cover part of the necessary criteria for the residual life of damaged pipelines, but more knowledge is needed on defect creation. The authors propose to complement existing experimental work which is limited to the explored range of parameters by validated numerical models. The first, simple static denting model aims at optimizing the conditions for calculating the residual stress distribution needed to assess the fatigue life of dents and dents and gouges. The second, more complex dynamic puncture model calculates both the puncture force and the puncture energy for a given pipe, excavator and tooth geometry. These models can contribute to enhance the external damage prevention policies of transmission pipeline operators.

  11. Dynamic nuclear renography kinetic analysis: Four-compartment model for assessing kidney function

    SciTech Connect (OSTI)

    Raswan, T. R. Haryanto, F.

    2014-09-30

    Dynamic nuclear renography method produces TACs of kidneys and bladder. Multiple TACs data can be further analyzed to obtain the overview of urinary system's condition. Tracer kinetic analysis was performed using four-compartment models. The system's model consist of four irreversible compartment with four transport constants (k1, k2, k3 and k4). The mathematical expressions of tracer's distributions is fitted to experimental data (TACs) resulting in model constants. This transport constants represent the urinary system behavior, and later can be used for analyzing system's condition. Different intervals of kinetics parameter are clearly shown by abnormal system with respect to the normal one. Furthermore, the system with delayed uptake has 82% lower uptake parameters (k1 and k2) than normal one. Meanwhile, the system with prolonged clearance time has its kinetics parameters k3 or k4 lower than the others. This model is promising for quantitatively describe urinary system's function especially if supplied with more data.

  12. Computational fluid dynamics modeling of coal gasification in a pressurized spout-fluid bed

    SciTech Connect (OSTI)

    Zhongyi Deng; Rui Xiao; Baosheng Jin; He Huang; Laihong Shen; Qilei Song; Qianjun Li

    2008-05-15

    Computational fluid dynamics (CFD) modeling, which has recently proven to be an effective means of analysis and optimization of energy-conversion processes, has been extended to coal gasification in this paper. A 3D mathematical model has been developed to simulate the coal gasification process in a pressurized spout-fluid bed. This CFD model is composed of gas-solid hydrodynamics, coal pyrolysis, char gasification, and gas phase reaction submodels. The rates of heterogeneous reactions are determined by combining Arrhenius rate and diffusion rate. The homogeneous reactions of gas phase can be treated as secondary reactions. A comparison of the calculated and experimental data shows that most gasification performance parameters can be predicted accurately. This good agreement indicates that CFD modeling can be used for complex fluidized beds coal gasification processes. 37 refs., 7 figs., 5 tabs.

  13. COLLABORATIVE RESEARCH: CONTINUOUS DYNAMIC GRID ADAPTATION IN A GLOBAL ATMOSPHERIC MODEL: APPLICATION AND REFINEMENT

    SciTech Connect (OSTI)

    Gutowski, William J.; Prusa, Joseph M.; Smolarkiewicz, Piotr K.

    2012-05-08

    This project had goals of advancing the performance capabilities of the numerical general circulation model EULAG and using it to produce a fully operational atmospheric global climate model (AGCM) that can employ either static or dynamic grid stretching for targeted phenomena. The resulting AGCM combined EULAG's advanced dynamics core with the "physics" of the NCAR Community Atmospheric Model (CAM). Effort discussed below shows how we improved model performance and tested both EULAG and the coupled CAM-EULAG in several ways to demonstrate the grid stretching and ability to simulate very well a wide range of scales, that is, multi-scale capability. We leveraged our effort through interaction with an international EULAG community that has collectively developed new features and applications of EULAG, which we exploited for our own work summarized here. Overall, the work contributed to over 40 peer-reviewed publications and over 70 conference/workshop/seminar presentations, many of them invited. 3a. EULAG Advances EULAG is a non-hydrostatic, parallel computational model for all-scale geophysical flows. EULAG's name derives from its two computational options: EULerian (flux form) or semi-LAGrangian (advective form). The model combines nonoscillatory forward-in-time (NFT) numerical algorithms with a robust elliptic Krylov solver. A signature feature of EULAG is that it is formulated in generalized time-dependent curvilinear coordinates. In particular, this enables grid adaptivity. In total, these features give EULAG novel advantages over many existing dynamical cores. For EULAG itself, numerical advances included refining boundary conditions and filters for optimizing model performance in polar regions. We also added flexibility to the model's underlying formulation, allowing it to work with the pseudo-compressible equation set of Durran in addition to EULAG's standard anelastic formulation. Work in collaboration with others also extended the demonstrated range of

  14. COLLABORATIVE RESEARCH: CONTINUOUS DYNAMIC GRID ADAPTATION IN A GLOBAL ATMOSPHERIC MODEL: APPLICATION AND REFINEMENT

    SciTech Connect (OSTI)

    Prusa, Joseph

    2012-05-08

    This project had goals of advancing the performance capabilities of the numerical general circulation model EULAG and using it to produce a fully operational atmospheric global climate model (AGCM) that can employ either static or dynamic grid stretching for targeted phenomena. The resulting AGCM combined EULAGâ??s advanced dynamics core with the â??physicsâ? of the NCAR Community Atmospheric Model (CAM). Effort discussed below shows how we improved model performance and tested both EULAG and the coupled CAM-EULAG in several ways to demonstrate the grid stretching and ability to simulate very well a wide range of scales, that is, multi-scale capability. We leveraged our effort through interaction with an international EULAG community that has collectively developed new features and applications of EULAG, which we exploited for our own work summarized here. Overall, the work contributed to over 40 peer- reviewed publications and over 70 conference/workshop/seminar presentations, many of them invited.

  15. Options of system integrated environment modelling in the predicated dynamic cyberspace

    SciTech Connect (OSTI)

    Janková, Martina; Dvořák, Jiří

    2015-03-10

    In this article there are briefly mentioned some selected options of contemporary conception of cybernetic system models in the corresponding and possible integratable environment with modern system dynamics thinking and all this in the cyberspace of possible projecting of predicted system characteristics. The key to new capabilities of system integration modelling in the considered cyberspace is mainly the ability to improve the environment and the system integration options, all this with the aim of modern control in the hierarchically arranged dynamic cyberspace, e.g. in the currently desired electronic business with information. The aim of this article is to assess generally the trends in the use of modern modelling methods considering the cybernetics applications verified in practice, modern concept of project management and also the potential integration of artificial intelligence in the new projecting and project management of integratable and intelligent models, e.g. with the optimal structures and adaptable behaviour.The article results from the solution of a specific research partial task at the faculty; especially the moments proving that the new economics will be based more and more on information, knowledge system defined cyberspace of modern management, are stressed in the text.

  16. The ArcSDE GIS Dynamic Population Model Tool for Savannah River Site Emergency Response

    SciTech Connect (OSTI)

    MCLANE, TRACY; JONES, DWIGHT

    2005-10-03

    The Savannah River Site (SRS) is a 310-square-mile Department of Energy site located near Aiken, South Carolina. With a workforce of over 10,000 employees and subcontractors, SRS emergency personnel must be able to respond to an emergency event in a timely and effective manner, in order to ensure the safety and security of the Site. Geographic Information Systems (GIS) provides the technology needed to give managers and emergency personnel the information they need to make quick and effective decisions. In the event of a site evacuation, knowing the number of on-site personnel to evacuate from a given area is an essential piece of information for emergency staff. SRS has developed a GIS Dynamic Population Model Tool to quickly communicate real-time information that summarizes employee populations by facility area and building and then generates dynamic maps that illustrate output statistics.

  17. Smoothed particle hydrodynamics Non-Newtonian model for ice-sheet and ice-shelf dynamics

    SciTech Connect (OSTI)

    Pan, Wenxiao; Tartakovsky, Alexandre M.; Monaghan, Joseph J.

    2013-06-01

    Mathematical modeling of ice sheets is complicated by the non-linearity of the governing equations and boundary conditions. Standard grid-based methods require complex front tracking techniques and have limited capability to handle large material deformations and abrupt changes in bottom topography. As a consequence, numerical methods are usually restricted to shallow ice sheet and ice shelf approximations. We propose a new smoothed particle hydrodynamics (SPH) non-Newtonian model for coupled ice sheet and ice shelf dynamics. SPH, a fully Lagrangian particle method, is highly scalable and its Lagrangian nature and meshless discretization are well suited to the simulation of free surface ?ows, large material deformation, and material fragmentation. In this paper, SPH is used to study 3D ice sheet/ice shelf behavior, and the dynamics of the grounding line. The steady state position of the grounding line obtained from SPH simulations is in good agreement with laboratory observations for a wide range of simulated bedrock slopes, and density ratios, similar to those of ice and sea water. The numerical accuracy of the SPH algorithm is veri?ed by simulating Poiseuille ?ow, plane shear ?ow with free surface and the propagation of a blob of ice along a horizontal surface. In the laboratory experiment, the ice was represented with a viscous Newtonian ?uid. In the present work, however, the ice is modeled as both viscous Newtonian ?uid and non-Newtonian ?uid, such that the e?ect of non-Newtonian rheology on the dynamics of grounding line was examined. The non-Newtonian constitutive relation is prescribed to be Glens law for the creep of polycrystalline ice. A V-shaped bedrock ramp is further introduced to model the real geometry of bedrock slope.

  18. Thermodynamic model of a thermal storage air conditioning system with dynamic behavior

    SciTech Connect (OSTI)

    Fleming, E; Wen, SY; Shi, L; da Silva, AK

    2013-12-01

    A thermodynamic model was developed to predict transient behavior of a thermal storage system, using phase change materials (PCMs), for a novel electric vehicle climate conditioning application. The main objectives of the paper are to consider the system's dynamic behavior, such as a dynamic air flow rate into the vehicle's cabin, and to characterize the transient heat transfer process between the thermal storage unit and the vehicle's cabin, while still maintaining accurate solution to the complex phase change heat transfer. The system studied consists of a heat transfer fluid circulating between either of the on-board hot and cold thermal storage units, which we refer to as thermal batteries, and a liquid-air heat exchanger that provides heat exchange with the incoming air to the vehicle cabin. Each thermal battery is a shell-and-tube configuration where a heat transfer fluid flows through parallel tubes, which are surrounded by PCM within a larger shell. The system model incorporates computationally inexpensive semianalytic solution to the conjugated laminar forced convection and phase change problem within the battery and accounts for airside heat exchange using the Number of Transfer Units (NTUs) method for the liquid-air heat exchanger. Using this approach, we are able to obtain an accurate solution to the complex heat transfer problem within the battery while also incorporating the impact of the airside heat transfer on the overall system performance. The implemented model was benchmarked against a numerical study for a melting process and against full system experimental data for solidification using paraffin wax as the PCM. Through modeling, we demonstrate the importance of capturing the airside heat exchange impact on system performance, and we investigate system response to dynamic operating conditions, e.g., air recirculation. (C) 2013 Elsevier Ltd. All rights reserved.

  19. Modeling the Potential Effects of New Tobacco Products and Policies. A Dynamic Population Model for Multiple Product Use and Harm

    SciTech Connect (OSTI)

    Vugrin, Eric D.; Rostron, Brian L.; Verzi, Stephen J.; Brodsky, Nancy S.; Brown, Theresa J.; Choiniere, Conrad J.; Coleman, Blair N.; Paredes, Antonio; Apelberg, Benjamin J.

    2015-03-27

    Background Recent declines in US cigarette smoking prevalence have coincided with increases in use of other tobacco products. Multiple product tobacco models can help assess the population health impacts associated with use of a wide range of tobacco products. Methods and Findings We present a multi-state, dynamical systems population structure model that can be used to assess the effects of tobacco product use behaviors on population health. The model incorporates transition behaviors, such as initiation, cessation, switching, and dual use, related to the use of multiple products. The model tracks product use prevalence and mortality attributable to tobacco use for the overall population and by sex and age group. The model can also be used to estimate differences in these outcomes between scenarios by varying input parameter values. We demonstrate model capabilities by projecting future cigarette smoking prevalence and smoking-attributable mortality and then simulating the effects of introduction of a hypothetical new lower-risk tobacco product under a variety of assumptions about product use. Sensitivity analyses were conducted to examine the range of population impacts that could occur due to differences in input values for product use and risk. We demonstrate that potential benefits from cigarette smokers switching to the lower-risk product can be offset over time through increased initiation of this product. Model results show that population health benefits are particularly sensitive to product risks and initiation, switching, and dual use behaviors. Conclusion Our model incorporates the variety of tobacco use behaviors and risks that occur with multiple products. As such, it can evaluate the population health impacts associated with the introduction of new tobacco products or policies that may result in product switching or dual use. Further model development will include refinement of data inputs for non-cigarette tobacco products and inclusion of health

  20. Modeling the Potential Effects of New Tobacco Products and Policies. A Dynamic Population Model for Multiple Product Use and Harm

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

    Vugrin, Eric D.; Rostron, Brian L.; Verzi, Stephen J.; Brodsky, Nancy S.; Brown, Theresa J.; Choiniere, Conrad J.; Coleman, Blair N.; Paredes, Antonio; Apelberg, Benjamin J.

    2015-03-27

    Background Recent declines in US cigarette smoking prevalence have coincided with increases in use of other tobacco products. Multiple product tobacco models can help assess the population health impacts associated with use of a wide range of tobacco products. Methods and Findings We present a multi-state, dynamical systems population structure model that can be used to assess the effects of tobacco product use behaviors on population health. The model incorporates transition behaviors, such as initiation, cessation, switching, and dual use, related to the use of multiple products. The model tracks product use prevalence and mortality attributable to tobacco use formore » the overall population and by sex and age group. The model can also be used to estimate differences in these outcomes between scenarios by varying input parameter values. We demonstrate model capabilities by projecting future cigarette smoking prevalence and smoking-attributable mortality and then simulating the effects of introduction of a hypothetical new lower-risk tobacco product under a variety of assumptions about product use. Sensitivity analyses were conducted to examine the range of population impacts that could occur due to differences in input values for product use and risk. We demonstrate that potential benefits from cigarette smokers switching to the lower-risk product can be offset over time through increased initiation of this product. Model results show that population health benefits are particularly sensitive to product risks and initiation, switching, and dual use behaviors. Conclusion Our model incorporates the variety of tobacco use behaviors and risks that occur with multiple products. As such, it can evaluate the population health impacts associated with the introduction of new tobacco products or policies that may result in product switching or dual use. Further model development will include refinement of data inputs for non-cigarette tobacco products and inclusion of

  1. Modeling the Potential Effects of New Tobacco Products and Policies: A Dynamic Population Model for Multiple Product Use and Harm

    SciTech Connect (OSTI)

    Vugrin, Eric D.; Rostron, Brian L.; Verzi, Stephen J.; Brodsky, Nancy S.; Brown, Theresa J.; Choiniere, Conrad J.; Coleman, Blair N.; Paredes, Antonio; Apelberg, Benjamin J.

    2015-03-27

    Background Recent declines in US cigarette smoking prevalence have coincided with increases in use of other tobacco products. Multiple product tobacco models can help assess the population health impacts associated with use of a wide range of tobacco products. Methods and Findings We present a multi-state, dynamical systems population structure model that can be used to assess the effects of tobacco product use behaviors on population health. The model incorporates transition behaviors, such as initiation, cessation, switching, and dual use, related to the use of multiple products. The model tracks product use prevalence and mortality attributable to tobacco use for the overall population and by sex and age group. The model can also be used to estimate differences in these outcomes between scenarios by varying input parameter values. We demonstrate model capabilities by projecting future cigarette smoking prevalence and smoking-attributable mortality and then simulating the effects of introduction of a hypothetical new lower-risk tobacco product under a variety of assumptions about product use. Sensitivity analyses were conducted to examine the range of population impacts that could occur due to differences in input values for product use and risk. We demonstrate that potential benefits from cigarette smokers switching to the lower-risk product can be offset over time through increased initiation of this product. Model results show that population health benefits are particularly sensitive to product risks and initiation, switching, and dual use behaviors. Conclusion Our model incorporates the variety of tobacco use behaviors and risks that occur with multiple products. As such, it can evaluate the population health impacts associated with the introduction of new tobacco products or policies that may result in product switching or dual use. Further model development will include refinement of data inputs for non-cigarette tobacco products and inclusion of health

  2. Final report LDRD project 105816 : model reduction of large dynamic systems with localized nonlinearities.

    SciTech Connect (OSTI)

    Lehoucq, Richard B.; Segalman, Daniel Joseph; Hetmaniuk, Ulrich L.; Dohrmann, Clark R.

    2009-10-01

    Advanced computing hardware and software written to exploit massively parallel architectures greatly facilitate the computation of extremely large problems. On the other hand, these tools, though enabling higher fidelity models, have often resulted in much longer run-times and turn-around-times in providing answers to engineering problems. The impediments include smaller elements and consequently smaller time steps, much larger systems of equations to solve, and the inclusion of nonlinearities that had been ignored in days when lower fidelity models were the norm. The research effort reported focuses on the accelerating the analysis process for structural dynamics though combinations of model reduction and mitigation of some factors that lead to over-meshing.

  3. Computational Fluid Dynamics (CFD) Modeling for High Rate Pulverized Coal Injection (PCI) into the Blast Furnace

    SciTech Connect (OSTI)

    Dr. Chenn Zhou

    2008-10-15

    Pulverized coal injection (PCI) into the blast furnace (BF) has been recognized as an effective way to decrease the coke and total energy consumption along with minimization of environmental impacts. However, increasing the amount of coal injected into the BF is currently limited by the lack of knowledge of some issues related to the process. It is therefore important to understand the complex physical and chemical phenomena in the PCI process. Due to the difficulty in attaining trus BF measurements, Computational fluid dynamics (CFD) modeling has been identified as a useful technology to provide such knowledge. CFD simulation is powerful for providing detailed information on flow properties and performing parametric studies for process design and optimization. In this project, comprehensive 3-D CFD models have been developed to simulate the PCI process under actual furnace conditions. These models provide raceway size and flow property distributions. The results have provided guidance for optimizing the PCI process.

  4. Modeling the influence of polls on elections: a population dynamics approach

    SciTech Connect (OSTI)

    Hyman, James M; Restrepo, Juan M; Rael, Rosalyn C

    2009-01-01

    We propose a population dynamics model for quantifying the effects of polling data on the outcome of multi-party elections decided by a majority-rule voting process. We divide the population into two groups: committed voters impervious to polling data, and susceptible voters whose decision to vote is influenced by data, depending on its reliability. This population-based approach to modeling the process sidesteps the problem of upscaling models based upon the choices made by individuals. We find releasing poll data is not advantageous to leading candidates, but it can be exploited by those closely trailing. The analysis identifies the particular type of voting impetus at play in different stages of an election and could help strategists optimize their influence on susceptible voters.

  5. Double and single pion photoproduction within a dynamical coupled-channels model

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

    Hiroyuki Kamano; Julia-Diaz, Bruno; Lee, T. -S. H.; Matsuyama, Akihiko; Sato, Toru

    2009-12-16

    Within a dynamical coupled-channels model which has already been fixed from analyzing the data of the πN → πN and γN → πN reactions, we present the predicted double pion photoproduction cross sections up to the second resonance region, W < 1.7 GeV. The roles played by the different mechanisms within our model in determining both the single and double pion photoproduction reactions are analyzed, focusing on the effects due to the direct γN → ππN mechanism, the interplay between the resonant and non-resonant amplitudes, and the coupled-channels effects. As a result, the model parameters which can be determined mostmore » effectively in the combined studies of both the single and double pion photoproduction data are identified for future studies.« less

  6. Dynamic model verification studies for the thermal response of the Fort St. Vrain HTGR Core

    SciTech Connect (OSTI)

    Ball, S J

    1980-01-01

    The safety research program for high-temperature gas-cooled reactors at ORNL is directed primarily at addressing licensing questions on the Fort St. Vrain reactor near Denver, CO. An important part of the program is to make use of experimental data from the reactor to at least partially verify the dynamic simulations that are used to predict the effects of postulated accident sequences. Comparisons were made of predictions with data from four different reactor scram (trip) events from operating power levels between 30 and 50%. An optimization program was used to rationalize the differences between predictions and measurements, and, in general, excellent agreement can be obtained by adjustment of models and parameters within their uncertainty ranges. Although the optimized models are not necessarily unique, results of the study have identified areas in which some of the models were deficient.

  7. Modeling the infrastructure dynamics of China -- Water, agriculture, energy, and greenhouse gases

    SciTech Connect (OSTI)

    Conrad, S.H.; Drennen, T.E.; Engi, D.; Harris, D.L.; Jeppesen, D.M.; Thomas, R.P.

    1998-08-01

    A comprehensive critical infrastructure analysis of the People`s Republic of China was performed to address questions about China`s ability to meet its long-term grain requirements and energy needs and to estimate greenhouse gas emissions in China likely to result from increased agricultural production and energy use. Four dynamic computer simulation models of China`s infrastructures--water, agriculture, energy and greenhouse gas--were developed to simulate, respectively, the hydrologic budgetary processes, grain production and consumption, energy demand, and greenhouse gas emissions in China through 2025. The four models were integrated into a state-of-the-art comprehensive critical infrastructure model for all of China. This integrated model simulates diverse flows of commodities, such as water and greenhouse gas, between the separate models to capture the overall dynamics of the integrated system. The model was used to generate projections of China`s available water resources and expected water use for 10 river drainage regions representing 100% of China`s mean annual runoff and comprising 37 major river basins. These projections were used to develop estimates of the water surpluses and/or deficits in the three end-use sectors--urban, industrial, and agricultural--through the year 2025. Projections of the all-China demand for the three major grains (corn, wheat, and rice), meat, and other (other grains and fruits and vegetables) were also generated. Each geographic region`s share of the all-China grain demand (allocated on the basis of each region`s share of historic grain production) was calculated in order to assess the land and water resources in each region required to meet that demand. Growth in energy use in six historically significant sectors and growth in greenhouse gas loading were projected for all of China.

  8. A Smoothed Particle Hydrodynamics Model for Ice Sheet and Ice Shelf Dynamics

    SciTech Connect (OSTI)

    Pan, Wenxiao; Tartakovsky, Alexandre M.; Monaghan, Joseph J.

    2012-02-08

    Mathematical modeling of ice sheets is complicated by the non-linearity of the governing equations and boundary conditions. Standard grid-based methods require complex front tracking techniques and have limited capability to handle large material deformations and abrupt changes in bottom topography. As a consequence, numerical methods are usually restricted to shallow ice sheet and ice shelf approximations. We propose a new smoothed particle hydrodynamics (SPH) model for coupled ice sheet and ice shelf dynamics. SPH is a fully Lagrangian particle method. It is highly scalable and its Lagrangian nature and meshless discretization are well suited to the simulation of free surface flows, large material deformation, and material fragmentation. In this paper SPH is used to study ice sheet/ice shelf behavior, and the dynamics of the grounding line. The steady state position of the grounding line obtained from the SPH simulations is in good agreement with laboratory observations for a wide range of simulated bedrock slopes, and density ratios similar to those of ice and sea water. The numerical accuracy of the SPH algorithm is further verified by simulating the plane shear flow of two immiscible fluids and the propagation of a highly viscous blob of fluid along a horizontal surface. In the experiment, the ice was represented with a viscous newtonian fluid. For consistency, in the described SPH model the ice is also modeled as a viscous newtonian fluid. Typically, ice sheets are modeled as a non-Newtonian fluid, accounting for the changes in the mechanical properties of ice. Implementation of a non-Newtonian rheology in the SPH model is the subject of our ongoing research.

  9. Vaporization dynamics of volatile perfluorocarbon droplets: A theoretical model and in vitro validation

    SciTech Connect (OSTI)

    Doinikov, Alexander A. Bouakaz, Ayache; Sheeran, Paul S.; Dayton, Paul A.

    2014-10-15

    Purpose: Perfluorocarbon (PFC) microdroplets, called phase-change contrast agents (PCCAs), are a promising tool in ultrasound imaging and therapy. Interest in PCCAs is motivated by the fact that they can be triggered to transition from the liquid state to the gas state by an externally applied acoustic pulse. This property opens up new approaches to applications in ultrasound medicine. Insight into the physics of vaporization of PFC droplets is vital for effective use of PCCAs and for anticipating bioeffects. PCCAs composed of volatile PFCs (with low boiling point) exhibit complex dynamic behavior: after vaporization by a short acoustic pulse, a PFC droplet turns into a vapor bubble which undergoes overexpansion and damped radial oscillation until settling to a final diameter. This behavior has not been well described theoretically so far. The purpose of our study is to develop an improved theoretical model that describes the vaporization dynamics of volatile PFC droplets and to validate this model by comparison with in vitro experimental data. Methods: The derivation of the model is based on applying the mathematical methods of fluid dynamics and thermodynamics to the process of the acoustic vaporization of PFC droplets. The used approach corrects shortcomings of the existing models. The validation of the model is carried out by comparing simulated results with in vitro experimental data acquired by ultrahigh speed video microscopy for octafluoropropane (OFP) and decafluorobutane (DFB) microdroplets of different sizes. Results: The developed theory allows one to simulate the growth of a vapor bubble inside a PFC droplet until the liquid PFC is completely converted into vapor, and the subsequent overexpansion and damped oscillations of the vapor bubble, including the influence of an externally applied acoustic pulse. To evaluate quantitatively the difference between simulated and experimental results, the L2-norm errors were calculated for all cases where the

  10. Documentation of INL’s In Situ Oil Shale Retorting Water Usage System Dynamics Model

    SciTech Connect (OSTI)

    Earl D Mattson; Larry Hull

    2012-12-01

    A system dynamic model was construction to evaluate the water balance for in-situ oil shale conversion. The model is based on a systems dynamics approach and uses the Powersim Studio 9™ software package. Three phases of an in situ retort were consider; a construction phase primarily accounts for water needed for drilling and water produced during dewatering, an operation phase includes the production of water from the retorting process, and a remediation phase water to remove heat and solutes from the subsurface as well as return the ground surface to its natural state. Throughout these three phases, the water is consumed and produced. Consumption is account for through the drill process, dust control, returning the ground water to its initial level and make up water losses during the remedial flushing of the retort zone. Production of water is through the dewatering of the retort zone, and during chemical pyrolysis reaction of the kerogen conversion. The document discusses each of the three phases used in the model.

  11. Use of a dynamic simulation model to understand nitrogen cycling in the middle Rio Grande, NM.

    SciTech Connect (OSTI)

    Meixner, Tom; Tidwell, Vincent Carroll; Oelsner, Gretchen; Brooks, Paul; Roach, Jesse D.

    2008-08-01

    Water quality often limits the potential uses of scarce water resources in semiarid and arid regions. To best manage water quality one must understand the sources and sinks of both solutes and water to the river system. Nutrient concentration patterns can identify source and sink locations, but cannot always determine biotic processes that affect nutrient concentrations. Modeling tools can provide insight into these large-scale processes. To address questions about large-scale nitrogen removal in the Middle Rio Grande, NM, we created a system dynamics nitrate model using an existing integrated surface water--groundwater model of the region to evaluate our conceptual models of uptake and denitrification as potential nitrate removal mechanisms. We modeled denitrification in groundwater as a first-order process dependent only on concentration and used a 5% denitrification rate. Uptake was assumed to be proportional to transpiration and was modeled as a percentage of the evapotranspiration calculated within the model multiplied by the nitrate concentration in the water being transpired. We modeled riparian uptake as 90% and agricultural uptake as 50% of the respective evapotranspiration rates. Using these removal rates, our model results suggest that riparian uptake, agricultural uptake and denitrification in groundwater are all needed to produce the observed nitrate concentrations in the groundwater, conveyance channels, and river as well as the seasonal concentration patterns. The model results indicate that a total of 497 metric tons of nitrate-N are removed from the Middle Rio Grande annually. Where river nitrate concentrations are low and there are no large nitrate sources, nitrate behaves nearly conservatively and riparian and agricultural uptake are the most important removal mechanisms. Downstream of a large wastewater nitrate source, denitrification and agricultural uptake were responsible for approximately 90% of the nitrogen removal.

  12. Multichannel Pseudogap Kondo Model: Large-N Solution and Quantum-Critical Dynamics

    SciTech Connect (OSTI)

    Vojta, Matthias

    2001-08-27

    We discuss a multichannel SU(N) Kondo model which displays nontrivial zero-temperature phase transitions due to a conduction electron density of states vanishing with a power law at the Fermi level. In a particular large-N limit, the system is described by coupled integral equations corresponding to a dynamic saddle point. We exactly determine the universal low-energy behavior of spectral densities at the scale-invariant fixed points, obtain anomalous exponents, and compute scaling functions describing the crossover near the quantum-critical points. We argue that our findings are relevant to recent experiments on impurity-doped d -wave superconductors.

  13. Cohesive Modeling of Dynamic Crack Growth in Homogeneous and Functionally Graded Materials

    SciTech Connect (OSTI)

    Zhang Zhengyu; Paulino, Glaucio H.; Celes, Waldemar

    2008-02-15

    This paper presents a Cohesive Zone Model (CZM) approach for investigating dynamic crack propagation in homogeneous and Functionally Graded Materials (FGMs). The failure criterion is incorporated in the CZM using both a finite cohesive strength and work to fracture in the material description. A novel CZM for FGMs is explored and incorporated into a finite element framework. The material gradation is approximated at the element level using a graded element formulation. A numerical example is provided to demonstrate the efficacy of the CZM approach, in which the influence of the material gradation on the crack growth pattern is studied.

  14. AFDM: An advanced fluid-dynamics model. Volume 6: EOS-AFDM interface

    SciTech Connect (OSTI)

    Henneges, G.; Kleinheins, S.

    1994-01-01

    This volume of the Advanced Fluid-Dynamics Model (AFDM) documents the modeling of the equation of state (EOS) in the code. The authors present an overview of the basic concepts underlying the thermodynamics modeling and resulting EOS, which is a set of relations between the thermodynamic properties of materials. The AFDM code allows for multiphase-multimaterial systems, which they explore in three phase models: two-material solid, two-material liquid, and three-material vapor. They describe and compare two ways of specifying the EOS of materials: (1) as simplified analytic expressions, or (2) as tables that precisely describe the properties of materials and their interactions for mechanical equilibrium. Either of the two EOS models implemented in AFDM can be selected by specifying the option when preprocessing the source code for compilation. Last, the authors determine thermophysical properties such as surface tension, thermal conductivities, and viscosities in the model for the intracell exchanges of AFDM. Specific notations, routines, EOS data, plots, test results, and corrections to the code are available in the appendices.

  15. Examining Uncertainty in Demand Response Baseline Models and Variability in Automated Response to Dynamic Pricing

    SciTech Connect (OSTI)

    Mathieu, Johanna L.; Callaway, Duncan S.; Kiliccote, Sila

    2011-08-15

    Controlling electric loads to deliver power system services presents a number of interesting challenges. For example, changes in electricity consumption of Commercial and Industrial (C&I) facilities are usually estimated using counterfactual baseline models, and model uncertainty makes it difficult to precisely quantify control responsiveness. Moreover, C&I facilities exhibit variability in their response. This paper seeks to understand baseline model error and demand-side variability in responses to open-loop control signals (i.e. dynamic prices). Using a regression-based baseline model, we define several Demand Response (DR) parameters, which characterize changes in electricity use on DR days, and then present a method for computing the error associated with DR parameter estimates. In addition to analyzing the magnitude of DR parameter error, we develop a metric to determine how much observed DR parameter variability is attributable to real event-to-event variability versus simply baseline model error. Using data from 38 C&I facilities that participated in an automated DR program in California, we find that DR parameter errors are large. For most facilities, observed DR parameter variability is likely explained by baseline model error, not real DR parameter variability; however, a number of facilities exhibit real DR parameter variability. In some cases, the aggregate population of C&I facilities exhibits real DR parameter variability, resulting in implications for the system operator with respect to both resource planning and system stability.

  16. Implementation of the nonlocal microplane concrete model within an explicit dynamic finite element program

    SciTech Connect (OSTI)

    Cofer, W.F.

    1992-03-01

    The microplane concrete material model is based upon assumptions regarding the behavior of the material components. At any point, the response to the strain tensor on arbitrarily oriented surfaces is considered. Simple, softening stress-strain relationships are assumed in directions perpendicular and parallel to the surfaces. The macroscopic material behavior is then composed of the sum of the effects. The implementation of this model into the explicit, nonlinear, dynamic finite element program, DYNA3D, is described. To avoid the spurious mesh sensitivity that accompanies material failure, a weighted integral strain averaging approach is used to ensure that softening is nonlocal. This method is shown to be effective for limiting the failure zone in a concrete rod subjected to an impulse loading. 36 refs., 7 figs.

  17. Radial electric field 3D modeling for wire arrays driving dynamic hohlraums on Z.

    SciTech Connect (OSTI)

    Mock, Raymond Cecil

    2007-06-01

    The anode-cathode structure of the Z-machine wire array results in a higher negative radial electric field (Er) on the wires near the cathode relative to the anode. The magnitude of this field has been shown to anti-correlate with the axial radiation top/bottom symmetry in the DH (Dynamic Hohlraum). Using 3D modeling, the structure of this field is revealed for different wire-array configurations and for progressive mechanical alterations, providing insight for minimizing the negative Er on the wire array in the anode-to-cathode region of the DH. Also, the 3D model is compared to Sasorov's approximation, which describes Er at the surface of the wire in terms of wire-array parameters.

  18. Science, Technology, Engineering, and Mathematics (STEM) career attractiveness system dynamics modeling.

    SciTech Connect (OSTI)

    Kelic, Andjelka; Zagonel, Aldo A.

    2008-12-01

    A system dynamics model was developed in response to the apparent decline in STEM candidates in the United States and a pending shortage. The model explores the attractiveness of STEM and STEM careers focusing on employers and the workforce. Policies such as boosting STEM literacy, lifting the H-1B visa cap, limiting the offshoring of jobs, and maintaining training are explored as possible solutions. The system is complex, with many feedbacks and long time delays, so solutions that focus on a single point of the system are not effective and cannot solve the problem. A deeper understanding of parts of the system that have not been explored to date is necessary to find a workable solution.

  19. A unified electrostatic and cavitation model for first-principles molecular dynamics in solution

    SciTech Connect (OSTI)

    Scherlis, D A; Fattebert, J; Gygi, F; Cococcioni, M; Marzari, N

    2005-11-14

    The electrostatic continuum solvent model developed by Fattebert and Gygi is combined with a first-principles formulation of the cavitation energy based on a natural quantum-mechanical definition for the surface of a solute. Despite its simplicity, the cavitation contribution calculated by this approach is found to be in remarkable agreement with that obtained by more complex algorithms relying on a large set of parameters. The model allows for very efficient Car-Parrinello simulations of finite or extended systems in solution, and demonstrates a level of accuracy as good as that of established quantum-chemistry continuum solvent methods. They apply this approach to the study of tetracyanoethylene dimers in dichloromethane, providing valuable structural and dynamical insights on the dimerization phenomenon.

  20. Intelligent Object-Oriented GIS Engine W/dynamic Coupling to Modeled Objects

    Energy Science and Technology Software Center (OSTI)

    1997-02-12

    The GEOVIEWER is an intelligent object-oriented Geographic Information System (GIS) engine that provides not only a spatially-optimized object representation, but also direct linkage to the underlying object, its data and behaviors. Tools are incorporated to perform tasks involving typical GIS functionality, data ingestion, linkage to external models, and integration with other application frameworks. The GOEVIEWER module was designed to provide GIS functionality to create, query, view, and manipulate software objects within a selected area undermore » investigation in a simulation system. Many of these objects are not stored in a format conductive to efficient GIS usage. Their dynamic nature, complexity, and the sheer number of possible entity classes preclude effective integration with traditional GIS technologies due to the loosely coupled nature of their data representations. The primary difference between GEOVIEWER and standard GIS packages is that standard GIS packages offer static views of geospatial data while GEOVIEWER can be dynamically coupled to models and/or applications producing data and, therefore, display changes in geometry, attributes or behavior as they occur in the simulation.« less

  1. Quench dynamics near a quantum critical point: Application to the sine-Gordon model

    SciTech Connect (OSTI)

    De Grandi, C.; Polkovnikov, A.; Gritsev, V.

    2010-06-01

    We discuss the quench dynamics near a quantum critical point focusing on the sine-Gordon model as a primary example. We suggest a unified approach to sudden and slow quenches, where the tuning parameter {lambda}(t) changes in time as {lambda}(t){approx}{upsilon}t{sup r}, based on the adiabatic expansion of the excitation probability in powers of {upsilon}. We show that the universal scaling of the excitation probability can be understood through the singularity of the generalized adiabatic susceptibility {chi}{sub 2r+2}({lambda}), which for sudden quenches (r=0) reduces to the fidelity susceptibility. In turn this class of susceptibilities is expressed through the moments of the connected correlation function of the quench operator. We analyze the excitations created after a sudden quench of the cosine potential using a combined approach of form-factors expansion and conformal perturbation theory for the low-energy and high-energy sector, respectively. We find the general scaling laws for the probability of exciting the system, the density of excited quasiparticles, the entropy and the heat generated after the quench. In the two limits where the sine-Gordon model maps to hard-core bosons and free massive fermions we provide the exact solutions for the quench dynamics and discuss the finite temperature generalizations.

  2. Water Usage for In-Situ Oil Shale Retorting – A Systems Dynamics Model

    SciTech Connect (OSTI)

    Earl D. Mattson; Larry Hull; Kara Cafferty

    2012-12-01

    A system dynamic model was construction to evaluate the water balance for in-situ oil shale conversion. The model is based on a systems dynamics approach and uses the Powersim Studio 9™ software package. Three phases of an insitu retort were consider; a construction phase primarily accounts for water needed for drilling and water produced during dewatering, an operation phase includes the production of water from the retorting process, and a remediation phase water to remove heat and solutes from the subsurface as well as return the ground surface to its natural state. Throughout these three phases, the water is consumed and produced. Consumption is account for through the drill process, dust control, returning the ground water to its initial level and make up water losses during the remedial flushing of the retort zone. Production of water is through the dewatering of the retort zone, and during chemical pyrolysis reaction of the kerogen conversion. The major water consumption was during the remediation of the insitu retorting zone.

  3. Dynamic materials testing and constitutive modeling of structural sheet steel for automotive applications. Final progress report

    SciTech Connect (OSTI)

    Cady, C.M.; Chen, S.R.; Gray, G.T. III

    1996-08-23

    The objective of this study was to characterize the dynamic mechanical properties of four different structural sheet steels used in automobile manufacture. The analysis of a drawing quality, special killed (DQSK) mild steel; high strength, low alloy (HSLA) steel; interstitial free (IF); and a high strength steel (M-190) have been completed. In addition to the true stress-true strain data, coefficients for the Johnson-Cook, Zerilli-Armstrong, and Mechanical Threshold Stress constitutive models have been determined from the mechanical test results at various strain rates and temperatures and are summarized. Compression, tensile, and biaxial bulge tests and low (below 0.1/s) strain rate tests were completed for all four steels. From these test results it was determined to proceed with the material modeling optimization using the through thickness compression results. Compression tests at higher strain rates and temperatures were also conducted and analyzed for all the steels. Constitutive model fits were generated from the experimental data. This report provides a compilation of information generated from mechanical tests, the fitting parameters for each of the constitutive models, and an index and description of data files.

  4. Dynamic optimization model of energy related economic planning and development for the Navajo nation

    SciTech Connect (OSTI)

    Beladi, S.A.

    1983-01-01

    The Navajo reservation located in portions of Arizona, New Mexico and Utah is rich in low sulfur coal deposits, ideal for strip mining operation. The Navajo Nation has been leasing the mineral resources to non-Indian enterprises for purposes of extraction. Since the early 1950s the Navajo Nation has entered into extensive coal leases with several large companies and utilities. Contracts have committed huge quantities of Navajo coal for mining. This research was directed to evaluate the shadow prices of Navajo coal and identify optimal coal extraction. An economic model of coal resource extraction over time was structured within an optimal control theory framework. The control problem was formulated as a discrete dynamic optimization problem. A comparison of the shadow prices of coal deposits derived from the dynamic model with the royalty payments the tribe receives on the basis of the present long-term lease contracts indicates that, in most cases, the tribe is paid considerably less than the amount of royalty projected by the model. Part of these discrepancies may be explained in terms of the low coal demand condition at the time of leasing and due to greater uncertainties with respect to the geologic information and other risks associated with mining operations. However, changes in the demand for coal with rigidly fixed terms of royalty rates will lead to non-optimal extraction of coal. A corrective tax scheme is suggested on the basis of the results of this research. The proposed tax per unit of coal shipped from a site is the difference between the shadow price and the present royalty rate. The estimated tax rates over time are derived.

  5. A NEW DYNAMICAL MODEL FOR THE BLACK HOLE BINARY LMC X-1

    SciTech Connect (OSTI)

    Orosz, Jerome A.; Steeghs, Danny; McClintock, Jeffrey E. E-mail: D.T.H.Steeghs@warwick.ac.uk

    2009-05-20

    We present a dynamical model of the high mass X-ray binary LMC X-1 based on high-resolution optical spectroscopy and extensive optical and near-infrared photometry. From our new optical data we find an orbital period of P = 3.90917 {+-} 0.00005 days. We present a refined analysis of the All Sky Monitor data from RXTE and find an X-ray period of P = 3.9094 {+-} 0.0008 days, which is consistent with the optical period. A simple model of Thomson scattering in the stellar wind can account for the modulation seen in the X-ray light curves. The V - K color of the star (1.17 {+-} 0.05) implies A{sub V} = 2.28 {+-} 0.06, which is much larger than previously assumed. For the secondary star, we measure a radius of R {sub 2} = 17.0 {+-} 0.8 R {sub sun} and a projected rotational velocity of V {sub rot}sin i = 129.9 {+-} 2.2 km s{sup -1}. Using these measured properties to constrain the dynamical model, we find an inclination of i = 36.{sup 0}38 {+-} 1.{sup 0}92, a secondary star mass of M {sub 2} = 31.79 {+-} 3.48 M {sub sun}, and a black hole mass of 10.91 {+-} 1.41 M {sub sun}. The present location of the secondary star in a temperature-luminosity diagram is consistent with that of a star with an initial mass of 35 M {sub sun} that is 5 Myr past the zero-age main sequence. The star nearly fills its Roche lobe ({approx}90% or more), and owing to the rapid change in radius with time in its present evolutionary state, it will encounter its Roche lobe and begin rapid and possibly unstable mass transfer on a timescale of a few hundred thousand years.

  6. Forecasting municipal solid waste generation in a fast-growing urban region with system dynamics modeling

    SciTech Connect (OSTI)

    Dyson, Brian; Chang, N.-B. . E-mail: nchang@even.tamuk.edu

    2005-07-01

    Both planning and design of municipal solid waste management systems require accurate prediction of solid waste generation. Yet achieving the anticipated prediction accuracy with regard to the generation trends facing many fast-growing regions is quite challenging. The lack of complete historical records of solid waste quantity and quality due to insufficient budget and unavailable management capacity has resulted in a situation that makes the long-term system planning and/or short-term expansion programs intangible. To effectively handle these problems based on limited data samples, a new analytical approach capable of addressing socioeconomic and environmental situations must be developed and applied for fulfilling the prediction analysis of solid waste generation with reasonable accuracy. This study presents a new approach - system dynamics modeling - for the prediction of solid waste generation in a fast-growing urban area based on a set of limited samples. To address the impact on sustainable development city wide, the practical implementation was assessed by a case study in the city of San Antonio, Texas (USA). This area is becoming one of the fastest-growing regions in North America due to the economic impact of the North American Free Trade Agreement (NAFTA). The analysis presents various trends of solid waste generation associated with five different solid waste generation models using a system dynamics simulation tool - Stella[reg]. Research findings clearly indicate that such a new forecasting approach may cover a variety of possible causative models and track inevitable uncertainties down when traditional statistical least-squares regression methods are unable to handle such issues.

  7. Groundwater contamination from an inactive uranium mill tailings pile. 2. Application of a dynamic mixing model

    SciTech Connect (OSTI)

    Narashimhan, T.N.; White, A.F.; Tokunaga, T.

    1986-12-01

    At Riverton, Wyoming, low pH process waters from an abandoned uranium mill tailings pile have been infiltrating into and contaminating the shallow water table aquifer. The contamination process has been governed by transient infiltration rates, saturated-unsaturated flow, as well as transient chemical reactions between the many chemical species present in the mixing waters and the sediments. In the first part of this two-part series the authors presented field data as well as an interpretation based on a static mixing models. As an upper bound, the authors estimated that 1.7% of the tailings water had mixed with the native groundwater. In the present work they present the results of numerical investigation of the dynamic mixing process. The model, DYNAMIX (DYNamic MIXing), couples a chemical speciation algorithm, PHREEQE, with a modified form of the transport algorithm, TRUMP, specifically designed to handle the simultaneous migration of several chemical constituents. The overall problem of simulating the evolution and migration of the contaminant plume was divided into three sub problems that were solved in sequential stages. These were the infiltration problem, the reactive mixing problem, and the plume-migration problem. The results of the application agree reasonably with the detailed field data. The methodology developed in the present study demonstrates the feasibility of analyzing the evolution of natural hydrogeochemical systems through a coupled analysis of transient fluid flow as well as chemical reactions. It seems worthwhile to devote further effort toward improving the physicochemical capabilities of the model as well as to enhance its computational efficiency.

  8. Integrated Experimental and Model-based Analysis Reveals the Spatial Aspects of EGFR Activation Dynamics

    SciTech Connect (OSTI)

    Shankaran, Harish; Zhang, Yi; Chrisler, William B.; Ewald, Jonathan A.; Wiley, H. S.; Resat, Haluk

    2012-10-02

    The epidermal growth factor receptor (EGFR) belongs to the ErbB family of receptor tyrosine kinases, and controls a diverse set of cellular responses relevant to development and tumorigenesis. ErbB activation is a complex process involving receptor-ligand binding, receptor dimerization, phosphorylation, and trafficking (internalization, recycling and degradation), which together dictate the spatio-temporal distribution of active receptors within the cell. The ability to predict this distribution, and elucidation of the factors regulating it, would help to establish a mechanistic link between ErbB expression levels and the cellular response. Towards this end, we constructed mathematical models for deconvolving the contributions of receptor dimerization and phosphorylation to EGFR activation, and to examine the dependence of these processes on sub-cellular location. We collected experimental datasets for EGFR activation dynamics in human mammary epithelial cells, with the specific goal of model parameterization, and used the data to estimate parameters for several alternate models. Model-based analysis indicated that: 1) signal termination via receptor dephosphorylation in late endosomes, prior to degradation, is an important component of the response, 2) less than 40% of the receptors in the cell are phosphorylated at any given time, even at saturating ligand doses, and 3) receptor dephosphorylation rates at the cell surface and early endosomes are comparable. We validated the last finding by measuring EGFR dephosphorylation rates at various times following ligand addition both in whole cells, and in endosomes using ELISAs and fluorescent imaging. Overall, our results provide important information on how EGFR phosphorylation levels are regulated within cells. Further, the mathematical model described here can be extended to determine receptor dimer abundances in cells co-expressing various levels of ErbB receptors. This study demonstrates that an iterative cycle of

  9. Introduction to Focus Issue: Rhythms and Dynamic Transitions in Neurological Disease: Modeling, Computation, and Experiment

    SciTech Connect (OSTI)

    Kaper, Tasso J. Kramer, Mark A.; Rotstein, Horacio G.

    2013-12-15

    Rhythmic neuronal oscillations across a broad range of frequencies, as well as spatiotemporal phenomena, such as waves and bumps, have been observed in various areas of the brain and proposed as critical to brain function. While there is a long and distinguished history of studying rhythms in nerve cells and neuronal networks in healthy organisms, the association and analysis of rhythms to diseases are more recent developments. Indeed, it is now thought that certain aspects of diseases of the nervous system, such as epilepsy, schizophrenia, Parkinson's, and sleep disorders, are associated with transitions or disruptions of neurological rhythms. This focus issue brings together articles presenting modeling, computational, analytical, and experimental perspectives about rhythms and dynamic transitions between them that are associated to various diseases.

  10. Model of fracture of metal melts and the strength of melts under dynamic conditions

    SciTech Connect (OSTI)

    Mayer, P. N. Mayer, A. E.

    2015-07-15

    The development of a continuum model of deformation and fracture of melts is needed for the description of the behavior of metals in extreme states, in particular, under high-current electron and ultrashort laser irradiation. The model proposed includes the equations of mechanics of a two-phase continuum and the equations of the kinetics of phase transitions. The change (exchange) of the volumes of dispersed and carrier phases and of the number of dispersed particles is described, and the energy and mass exchange between the phases due to phase transitions is taken into account. Molecular dynamic (MD) calculations are carried out with the use of the LAMMPS program. The continuum model is verified by MD, computational, and experimental data. The strength of aluminum, copper, and nickel is determined at various temperatures and strain rates. It is shown that an increase in the strain rate leads to an increase in the strength of a liquid metal, while an increase in temperature leads to a decrease in its strength.

  11. Preserving Lagrangian Structure in Nonlinear Model Reduction with Application to Structural Dynamics

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

    Carlberg, Kevin; Tuminaro, Ray; Boggs, Paul

    2015-03-11

    Our work proposes a model-reduction methodology that preserves Lagrangian structure and achieves computational efficiency in the presence of high-order nonlinearities and arbitrary parameter dependence. As such, the resulting reduced-order model retains key properties such as energy conservation and symplectic time-evolution maps. We focus on parameterized simple mechanical systems subjected to Rayleigh damping and external forces, and consider an application to nonlinear structural dynamics. To preserve structure, the method first approximates the system's “Lagrangian ingredients''---the Riemannian metric, the potential-energy function, the dissipation function, and the external force---and subsequently derives reduced-order equations of motion by applying the (forced) Euler--Lagrange equation with thesemore » quantities. Moreover, from the algebraic perspective, key contributions include two efficient techniques for approximating parameterized reduced matrices while preserving symmetry and positive definiteness: matrix gappy proper orthogonal decomposition and reduced-basis sparsification. Our results for a parameterized truss-structure problem demonstrate the practical importance of preserving Lagrangian structure and illustrate the proposed method's merits: it reduces computation time while maintaining high accuracy and stability, in contrast to existing nonlinear model-reduction techniques that do not preserve structure.« less

  12. Computational Intelligence Based Data Fusion Algorithm for Dynamic sEMG and Skeletal Muscle Force Modelling

    SciTech Connect (OSTI)

    Chandrasekhar Potluri,; Madhavi Anugolu; Marco P. Schoen; D. Subbaram Naidu

    2013-08-01

    In this work, an array of three surface Electrography (sEMG) sensors are used to acquired muscle extension and contraction signals for 18 healthy test subjects. The skeletal muscle force is estimated using the acquired sEMG signals and a Non-linear Wiener Hammerstein model, relating the two signals in a dynamic fashion. The model is obtained from using System Identification (SI) algorithm. The obtained force models for each sensor are fused using a proposed fuzzy logic concept with the intent to improve the force estimation accuracy and resilience to sensor failure or misalignment. For the fuzzy logic inference system, the sEMG entropy, the relative error, and the correlation of the force signals are considered for defining the membership functions. The proposed fusion algorithm yields an average of 92.49% correlation between the actual force and the overall estimated force output. In addition, the proposed fusionbased approach is implemented on a test platform. Experiments indicate an improvement in finger/hand force estimation.

  13. Computational Model of Population Dynamics Based on the Cell Cycle and Local Interactions

    SciTech Connect (OSTI)

    Oprisan, Sorinel Adrian; Oprisan, Ana

    2005-03-31

    Our study bridges cellular (mesoscopic) level interactions and global population (macroscopic) dynamics of carcinoma. The morphological differences and transitions between well and smooth defined benign tumors and tentacular malignat tumors suggest a theoretical analysis of tumor invasion based on the development of mathematical models exhibiting bifurcations of spatial patterns in the density of tumor cells. Our computational model views the most representative and clinically relevant features of oncogenesis as a fight between two distinct sub-systems: the immune system of the host and the neoplastic system. We implemented the neoplastic sub-system using a three-stage cell cycle: active, dormant, and necrosis. The second considered sub-system consists of cytotoxic active (effector) cells -- EC, with a very broad phenotype ranging from NK cells to CTL cells, macrophages, etc. Based on extensive numerical simulations, we correlated the fractal dimensions for carcinoma, which could be obtained from tumor imaging, with the malignat stage. Our computational model was able to also simulate the effects of surgical, chemotherapeutical, and radiotherapeutical treatments.

  14. COER Hydrodynamic Modeling Competition: Modeling the Dynamic Response of a Floating Body Using the WEC-Sim and FAST Simulation Tools

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

    COER HYDRODYNAMIC MODELING COMPETITION: MODELING THE DYNAMIC RESPONSE OF A FLOATING BODY USING THE WEC-SIM AND FAST SIMULATION TOOLS Michael Lawson Braulio Barahona Garzon Fabian Wendt Yi-Hsiang Yu National Renewable Energy Laboratory Golden, Colorado, USA Carlos Michelen Sandia National Laboratories Albuquerque, New Mexico, USA ABSTRACT The Center for Ocean Energy Research (COER) at the University of Maynooth in Ireland organized a hydrodynamic modeling competition in conjunction with OMAE2015.

  15. Modelling on dynamics properties of a stationary argon cascaded arc plasma flows

    SciTech Connect (OSTI)

    Wei, G. D.; Qi, X.; Yang, L.

    2014-03-15

    The gas dynamics properties of a stationary arc plasma flows are studied through the numerical simulations. A two dimensional axis-symmetric turbulent magneto-hydrodynamic plasma model is developed with the commercial code ANSYS FLUENT. The reliable ?-? model is used to account for turbulence. In this paper, the plasma is assumed to be a fluid following NavierStokes equations, respecting local thermodynamic equilibrium, and described by only one temperature. Distributions of the pressure, velocity, temperature, density, and electric potential inside of thus cascaded arc are obtained for an arc current density of 10{sup 6}?A/m{sup 2}. The pressure inside the arc varies from 10{sup 5}?Pa to 100?Pa. The temperature at the arc axis can reach as high as 13?600?K. The electric potential drops uniformly along the axis with a magnitude of 160?V. In addition, distributions of the sonic velocity and Mach number are shown to describe supersonic behavior of thus cascaded arc, which have a good agreement with the analytical formula.

  16. Wind Turbine Modeling for Computational Fluid Dynamics: December 2010 - December 2012

    SciTech Connect (OSTI)

    Tossas, L. A. M.; Leonardi, S.

    2013-07-01

    With the shortage of fossil fuel and the increasing environmental awareness, wind energy is becoming more and more important. As the market for wind energy grows, wind turbines and wind farms are becoming larger. Current utility-scale turbines extend a significant distance into the atmospheric boundary layer. Therefore, the interaction between the atmospheric boundary layer and the turbines and their wakes needs to be better understood. The turbulent wakes of upstream turbines affect the flow field of the turbines behind them, decreasing power production and increasing mechanical loading. With a better understanding of this type of flow, wind farm developers could plan better-performing, less maintenance-intensive wind farms. Simulating this flow using computational fluid dynamics is one important way to gain a better understanding of wind farm flows. In this study, we compare the performance of actuator disc and actuator line models in producing wind turbine wakes and the wake-turbine interaction between multiple turbines. We also examine parameters that affect the performance of these models, such as grid resolution, the use of a tip-loss correction, and the way in which the turbine force is projected onto the flow field.

  17. Quadrupole collective dynamics from energy density functionals: Collective Hamiltonian and the interacting boson model

    SciTech Connect (OSTI)

    Nomura, K.; Vretenar, D.; Niksic, T.; Otsuka, T.; Shimizu, N.

    2011-07-15

    Microscopic energy density functionals have become a standard tool for nuclear structure calculations, providing an accurate global description of nuclear ground states and collective excitations. For spectroscopic applications, this framework has to be extended to account for collective correlations related to restoration of symmetries broken by the static mean field, and for fluctuations of collective variables. In this paper, we compare two approaches to five-dimensional quadrupole dynamics: the collective Hamiltonian for quadrupole vibrations and rotations and the interacting boson model (IBM). The two models are compared in a study of the evolution of nonaxial shapes in Pt isotopes. Starting from the binding energy surfaces of {sup 192,194,196}Pt, calculated with a microscopic energy density functional, we analyze the resulting low-energy collective spectra obtained from the collective Hamiltonian, and the corresponding IBM Hamiltonian. The calculated excitation spectra and transition probabilities for the ground-state bands and the {gamma}-vibration bands are compared to the corresponding sequences of experimental states.

  18. A dynamic model for assessing the effects of management strategies on the reduction of construction and demolition waste

    SciTech Connect (OSTI)

    Yuan Hongping; Chini, Abdol R.; Lu Yujie; Shen Liyin

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer We proposes a model for projecting C and D waste reduction of construction projects. Black-Right-Pointing-Pointer The model can simulate effects of various management strategies on waste reduction. Black-Right-Pointing-Pointer The model integrates all essential variables that affect C and D waste reduction. Black-Right-Pointing-Pointer By using the model, best strategies could be identified before being implemented. - Abstract: During the past few decades, construction and demolition (C and D) waste has received increasing attention from construction practitioners and researchers worldwide. A plethora of research regarding C and D waste management has been published in various academic journals. However, it has been determined that existing studies with respect to C and D waste reduction are mainly carried out from a static perspective, without considering the dynamic and interdependent nature of the whole waste reduction system. This might lead to misunderstanding about the actual effect of implementing any waste reduction strategies. Therefore, this research proposes a model that can serve as a decision support tool for projecting C and D waste reduction in line with the waste management situation of a given construction project, and more importantly, as a platform for simulating effects of various management strategies on C and D waste reduction. The research is conducted using system dynamics methodology, which is a systematic approach that deals with the complexity - interrelationships and dynamics - of any social, economic and managerial system. The dynamic model integrates major variables that affect C and D waste reduction. In this paper, seven causal loop diagrams that can deepen understanding about the feedback relationships underlying C and D waste reduction system are firstly presented. Then a stock-flow diagram is formulated by using software for system dynamics modeling. Finally, a case study is used to

  19. Validation of a Fast-Fluid-Dynamics Model for Predicting Distribution of Particles with Low Stokes Number

    SciTech Connect (OSTI)

    Zuo, Wangda; Chen, Qingyan

    2011-06-01

    To design a healthy indoor environment, it is important to study airborne particle distribution indoors. As an intermediate model between multizone models and computational fluid dynamics (CFD), a fast fluid dynamics (FFD) model can be used to provide temporal and spatial information of particle dispersion in real time. This study evaluated the accuracy of the FFD for predicting transportation of particles with low Stokes number in a duct and in a room with mixed convection. The evaluation was to compare the numerical results calculated by the FFD with the corresponding experimental data and the results obtained by the CFD. The comparison showed that the FFD could capture major pattern of particle dispersion, which is missed in models with well-mixed assumptions. Although the FFD was less accurate than the CFD partially due to its simplification in numeric schemes, it was 53 times faster than the CFD.

  20. Scientific Final Report: COLLABORATIVE RESEARCH: CONTINUOUS DYNAMIC GRID ADAPTATION IN A GLOBAL ATMOSPHERIC MODEL: APPLICATION AND REFINEMENT

    SciTech Connect (OSTI)

    William J. Gutowski; Joseph M. Prusa, Piotr K. Smolarkiewicz

    2012-04-09

    This project had goals of advancing the performance capabilities of the numerical general circulation model EULAG and using it to produce a fully operational atmospheric global climate model (AGCM) that can employ either static or dynamic grid stretching for targeted phenomena. The resulting AGCM combined EULAG's advanced dynamics core with the 'physics' of the NCAR Community Atmospheric Model (CAM). Effort discussed below shows how we improved model performance and tested both EULAG and the coupled CAM-EULAG in several ways to demonstrate the grid stretching and ability to simulate very well a wide range of scales, that is, multi-scale capability. We leveraged our effort through interaction with an international EULAG community that has collectively developed new features and applications of EULAG, which we exploited for our own work summarized here. Overall, the work contributed to over 40 peer-reviewed publications and over 70 conference/workshop/seminar presentations, many of them invited.

  1. COER Hydrodynamic Modeling Competition: Modeling the Dynamic Response of a Floating Body Using the WEC-Sim and FAST Simulation Tools: Preprint

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

    COER Hydrodynamic Modeling Competition: Modeling the Dynamic Response of a Floating Body Using the WEC-Sim and FAST Simulation Tools Preprint M. Lawson, B. Barahona Garzon, F. Wendt, and Y-H. Yu National Renewable Energy Laboratory C. Michelen Sandia National Laboratories To be presented at the 34 th International Conference on Ocean, Offshore, and Arctic Engineering (OMAE 2015) St. John's, Newfoundland, Canada May 31-June 5, 2015 Conference Paper NREL/CP-5000-63594 March 2015 NOTICE The

  2. Quantum diffusion dynamics in nonlinear systems: A modified kicked-rotor model

    SciTech Connect (OSTI)

    Gong Jiangbin [Department of Physics and Centre of Computational Science and Engineering, National University of Singapore, 117542 (Singapore); Wang Jiao [Temasek Laboratories and Beijing-Hong Kong-Singapore Joint Center for Nonlinear and Complex Systems (Singapore), National University of Singapore, 117542 (Singapore)

    2007-09-15

    Using a simple method analogous to a quantum rephasing technique, a simple modification to a paradigm of classical and quantum chaos is proposed. The interesting quantum maps thus obtained display remarkably rich quantum dynamics. Emphasis is placed on the destruction of dynamical localization without breaking periodicity, unbounded quantum anomalous diffusion in integrable systems, and transient dynamical localization. Experimental realizations of this work are also discussed.

  3. Quasi-static and dynamic responses of advanced high strength steels: Experiments and modeling

    SciTech Connect (OSTI)

    Khan, Akhtar; Baig, Muneer; Choi, Shi Hoon; Yang, Hoe Seok; Sun, Xin

    2012-03-01

    Measured responses of advanced high strength steels (AHSS) and their tailor welded blanks (TWBs), over a wide range of strain-rates (10*4 to 103 s*1) are presented. The steels investigated include transformation induced plasticity (TRIP), dual phase (DP), and drawing quality (DQ) steels. The TWBs include DQ-DQ and DP-DP laser welds. A tensile split Hopkinson pressure bar (SHPB) was used for the dynamic experiments. AHSS and their TWB's were found to exhibit positive strain-rate sensitivity. The Khan-Huang-Liang (KHL) constitutive model is shown to correlate and predict the observed responses reasonably well. Micro-texture characterization of DQ steels, DQ-DQ and DP-DP laser welds were performed to investigate the effect of strain-rate on texture evolution of these materials. Electron backscatter diffraction (EBSD) technique was used to analyze the micro-texture evolution and kernel average misorientation (KAM) map. Measurement of micro-hardness profile across the cross section of tensile samples was conducted to understand the effect of initial microstructure on ductility of laser weld samples.

  4. A Numerical Model For The Dynamics Of Pyroclastic Flows At Galeras...

    Open Energy Info (EERE)

    with the time; (2) dynamic pressure change; and (3) particle concentration along the computer domain from the eruption to the impact with a topographic barrier located more than...

  5. State-of-the-art review of computational fluid dynamics modeling for fluid-solids systems

    SciTech Connect (OSTI)

    Lyczkowski, R.W.; Bouillard, J.X.; Ding, J.; Chang, S.L.; Burge, S.W.

    1994-05-12

    As the result of 15 years of research (50 staff years of effort) Argonne National Laboratory (ANL), through its involvement in fluidized-bed combustion, magnetohydrodynamics, and a variety of environmental programs, has produced extensive computational fluid dynamics (CFD) software and models to predict the multiphase hydrodynamic and reactive behavior of fluid-solids motions and interactions in complex fluidized-bed reactors (FBRS) and slurry systems. This has resulted in the FLUFIX, IRF, and SLUFIX computer programs. These programs are based on fluid-solids hydrodynamic models and can predict information important to the designer of atmospheric or pressurized bubbling and circulating FBR, fluid catalytic cracking (FCC) and slurry units to guarantee optimum efficiency with minimum release of pollutants into the environment. This latter issue will become of paramount importance with the enactment of the Clean Air Act Amendment (CAAA) of 1995. Solids motion is also the key to understanding erosion processes. Erosion rates in FBRs and pneumatic and slurry components are computed by ANL`s EROSION code to predict the potential metal wastage of FBR walls, intervals, feed distributors, and cyclones. Only the FLUFIX and IRF codes will be reviewed in the paper together with highlights of the validations because of length limitations. It is envisioned that one day, these codes with user-friendly pre and post-processor software and tailored for massively parallel multiprocessor shared memory computational platforms will be used by industry and researchers to assist in reducing and/or eliminating the environmental and economic barriers which limit full consideration of coal, shale and biomass as energy sources, to retain energy security, and to remediate waste and ecological problems.

  6. Kinetics and dynamic modelling of batch anaerobic digestion of municipal solid waste in a stirred reactor

    SciTech Connect (OSTI)

    Nopharatana, Annop; Pullammanappallil, Pratap C.; Clarke, William P.

    2007-07-01

    A series of batch, slurry anaerobic digestion experiments were performed where the soluble and insoluble fractions, and unwashed MSW were separately digested in a 200 l stirred stainless steel vessel at a pH of 7.2 and a temperature of 38 deg. C. It was found that 7% of the total MSW COD was readily soluble, of which 80% was converted to biogas; 50% of the insoluble fraction was solubilised, of this only 80% was converted to biogas. The rate of digesting the insoluble fraction was about four times slower than the rate of digesting the soluble fraction; 48% of the total COD was converted to biogas and 40% of the total nitrogen was converted to ammonia. Soluble and insoluble fractions were broken down simultaneously. The minimum time to convert 95% of the degradable fraction to biogas was 20 days. The lag phase for the degradation of insoluble fraction of MSW can be overcome by acclimatising the culture with the soluble fraction. The rate of digestion and the methane yield was not affected by particle size (within the range of 2-50 mm). A dynamic model was developed to describe batch digestion of MSW. The parameters of the model were estimated using data from the separate digestion of soluble and insoluble fractions and validated against data from the digestion of unwashed MSW. Trends in the specific aceticlastic and formate-utilising methanogenic activity were used to estimate initial methanogenic biomass concentration and bacterial death rate coefficient. The kinetics of hydrolysis of insoluble fraction could be adequately described by a Contois equation and the kinetics of acidogenesis, and aceticlastic and hydrogen utilising methanogenesis by Monod equations.

  7. A system dynamic modeling approach for evaluating municipal solid waste generation, landfill capacity and related cost management issues

    SciTech Connect (OSTI)

    Kollikkathara, Naushad; Feng Huan; Yu Danlin

    2010-11-15

    As planning for sustainable municipal solid waste management has to address several inter-connected issues such as landfill capacity, environmental impacts and financial expenditure, it becomes increasingly necessary to understand the dynamic nature of their interactions. A system dynamics approach designed here attempts to address some of these issues by fitting a model framework for Newark urban region in the US, and running a forecast simulation. The dynamic system developed in this study incorporates the complexity of the waste generation and management process to some extent which is achieved through a combination of simpler sub-processes that are linked together to form a whole. The impact of decision options on the generation of waste in the city, on the remaining landfill capacity of the state, and on the economic cost or benefit actualized by different waste processing options are explored through this approach, providing valuable insights into the urban waste-management process.

  8. Development of a sub-scale dynamics model for pressure relaxation of multi-material cells in Lagrangian hydrodynamics

    SciTech Connect (OSTI)

    Harrison, Alan K; Shashkov, Mikhail J; Fung, Jimmy; Canfield, Thomas R; Kamm, James R

    2010-10-14

    We have extended the Sub-Scale Dynamics (SSD) closure model for multi-fluid computational cells. Volume exchange between two materials is based on the interface area and a notional interface translation velocity, which is derived from a linearized Riemann solution. We have extended the model to cells with any number of materials, computing pressure-difference-driven volume and energy exchange as the algebraic sum of pairwise interactions. In multiple dimensions, we rely on interface reconstruction to provide interface areas and orientations, and centroids of material polygons. In order to prevent unphysically large or unmanageably small material volumes, we have used a flux-corrected transport (FCT) approach to limit the pressure-driven part of the volume exchange. We describe the implementation of this model in two dimensions in the FLAG hydrodynamics code. We also report on Lagrangian test calculations, comparing them with others made using a mixed-zone closure model due to Tipton, and with corresponding calculations made with only single-material cells. We find that in some cases, the SSD model more accurately predicts the state of material in mixed cells. By comparing the algebraic forms of both models, we identify similar dependencies on state and dynamical variables, and propose explanations for the apparent higher fidelity of the SSD model.

  9. Compartment modeling of dynamic brain PETThe impact of scatter corrections on parameter errors

    SciTech Connect (OSTI)

    Hggstrm, Ida Karlsson, Mikael; Larsson, Anne; Schmidtlein, C. Ross

    2014-11-01

    Purpose: The aim of this study was to investigate the effect of scatter and its correction on kinetic parameters in dynamic brain positron emission tomography (PET) tumor imaging. The 2-tissue compartment model was used, and two different reconstruction methods and two scatter correction (SC) schemes were investigated. Methods: The GATE Monte Carlo (MC) software was used to perform 2 15 full PET scan simulations of a voxelized head phantom with inserted tumor regions. The two sets of kinetic parameters of all tissues were chosen to represent the 2-tissue compartment model for the tracer 3?-deoxy-3?-({sup 18}F)fluorothymidine (FLT), and were denoted FLT{sub 1} and FLT{sub 2}. PET data were reconstructed with both 3D filtered back-projection with reprojection (3DRP) and 3D ordered-subset expectation maximization (OSEM). Images including true coincidences with attenuation correction (AC) and true+scattered coincidences with AC and with and without one of two applied SC schemes were reconstructed. Kinetic parameters were estimated by weighted nonlinear least squares fitting of image derived timeactivity curves. Calculated parameters were compared to the true input to the MC simulations. Results: The relative parameter biases for scatter-eliminated data were 15%, 16%, 4%, 30%, 9%, and 7% (FLT{sub 1}) and 13%, 6%, 1%, 46%, 12%, and 8% (FLT{sub 2}) for K{sub 1}, k{sub 2}, k{sub 3}, k{sub 4}, V{sub a}, and K{sub i}, respectively. As expected, SC was essential for most parameters since omitting it increased biases by 10 percentage points on average. SC was not found necessary for the estimation of K{sub i} and k{sub 3}, however. There was no significant difference in parameter biases between the two investigated SC schemes or from parameter biases from scatter-eliminated PET data. Furthermore, neither 3DRP nor OSEM yielded the smallest parameter biases consistently although there was a slight favor for 3DRP which produced less biased k{sub 3} and K{sub i} estimates while

  10. A model for plasticity kinetics and its role in simulating the dynamic behavior of Fe at high strain rates

    SciTech Connect (OSTI)

    Colvin, J D; Minich, R W; Kalantar, D H

    2007-03-29

    The recent diagnostic capability of the Omega laser to study solid-solid phase transitions at pressures greater than 10 GPa and at strain rates exceeding 10{sup 7} s{sup -1} has also provided valuable information on the dynamic elastic-plastic behavior of materials. We have found, for example, that plasticity kinetics modifies the effective loading and thermodynamic paths of the material. In this paper we derive a kinetics equation for the time-dependent plastic response of the material to dynamic loading, and describe the model's implementation in a radiation-hydrodynamics computer code. This model for plasticity kinetics incorporates the Gilman model for dislocation multiplication and saturation. We discuss the application of this model to the simulation of experimental velocity interferometry data for experiments on Omega in which Fe was shock compressed to pressures beyond the {alpha}-to-{var_epsilon} phase transition pressure. The kinetics model is shown to fit the data reasonably well in this high strain rate regime and further allows quantification of the relative contributions of dislocation multiplication and drag. The sensitivity of the observed signatures to the kinetics model parameters is presented.

  11. Evaluation of Tropical Cirrus Cloud Properties and Dynamical Processes Derived from ECMWF Model Output and Ground Based Mea...

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

    Tropical Cirrus Cloud Properties and Dynamical Processes Derived from ECMWF Model Output and Ground-Based Measurements Over Nauru Island J. M. Comstock and J. H. Mather Pacific Northwest National Laboratory Richland, Washington C. Jakob Bureau of Meteorology Research Centre Melbourne, Australia Introduction Identifying the mechanisms responsible for the formation of cirrus clouds is important in understanding the role of cirrus in the tropical atmosphere. Thin cirrus clouds near the tropical

  12. Modeling oscillatory dynamics in brain microcircuits as a way to help uncover neurological disease mechanisms: A proposal

    SciTech Connect (OSTI)

    Skinner, F. K.; Department of Medicine , University of Toronto, 200 Elizabeth Street, Toronto, Ontario M5G 2C4; Department of Physiology, University of Toronto Medical Sciences Building, 3rd Floor, 1 King's College Circle, Toronto, Ontario M5S 1A8 ; Ferguson, K. A.; Department of Physiology, University of Toronto Medical Sciences Building, 3rd Floor, 1 King's College Circle, Toronto, Ontario M5S 1A8

    2013-12-15

    There is an undisputed need and requirement for theoretical and computational studies in Neuroscience today. Furthermore, it is clear that oscillatory dynamical output from brain networks is representative of various behavioural states, and it is becoming clear that one could consider these outputs as measures of normal and pathological brain states. Although mathematical modeling of oscillatory dynamics in the context of neurological disease exists, it is a highly challenging endeavour because of the many levels of organization in the nervous system. This challenge is coupled with the increasing knowledge of cellular specificity and network dysfunction that is associated with disease. Recently, whole hippocampus in vitro preparations from control animals have been shown to spontaneously express oscillatory activities. In addition, when using preparations derived from animal models of disease, these activities show particular alterations. These preparations present an opportunity to address challenges involved with using models to gain insight because of easier access to simultaneous cellular and network measurements, and pharmacological modulations. We propose that by developing and using models with direct links to experiment at multiple levels, which at least include cellular and microcircuit, a cycling can be set up and used to help us determine critical mechanisms underlying neurological disease. We illustrate our proposal using our previously developed inhibitory network models in the context of these whole hippocampus preparations and show the importance of having direct links at multiple levels.

  13. Synchronized Phasor Data for Analyzing Wind Power Plant Dynamic Behavior and Model Validation

    SciTech Connect (OSTI)

    Wan, Y. H.

    2013-01-01

    The U.S. power industry is undertaking several initiatives that will improve the operations of the power grid. One of those is the implementation of 'wide area measurements' using phasor measurement units (PMUs) to dynamically monitor the operations and the status of the network and provide advanced situational awareness and stability assessment. This project seeks to obtain PMU data from wind power plants and grid reference points and develop software tools to analyze and visualize synchrophasor data for the purpose of better understanding wind power plant dynamic behaviors under normal and contingency conditions.

  14. North American extreme temperature events and related large scale meteorological patterns: A review of statistical methods, dynamics, modeling, and trends

    SciTech Connect (OSTI)

    Grotjahn, Richard; Black, Robert; Leung, Ruby; Wehner, Michael F.; Barlow, Mathew; Bosilovich, Michael; Gershunov, Alexander; Gutowski, Jr., William J.; Gyakum, John R.; Katz, Richard W.; Lee, Yun -Young; Lim, Young -Kwon; Prabhat, -

    2015-05-22

    This paper reviews research approaches and open questions regarding data, statistical analyses, dynamics, modeling efforts, and trends in relation to temperature extremes. Our specific focus is upon extreme events of short duration (roughly less than 5 days) that affect parts of North America. These events are associated with large scale meteorological patterns (LSMPs). Methods used to define extreme events statistics and to identify and connect LSMPs to extreme temperatures are presented. Recent advances in statistical techniques can connect LSMPs to extreme temperatures through appropriately defined covariates that supplements more straightforward analyses. A wide array of LSMPs, ranging from synoptic to planetary scale phenomena, have been implicated as contributors to extreme temperature events. Current knowledge about the physical nature of these contributions and the dynamical mechanisms leading to the implicated LSMPs is incomplete. There is a pressing need for (a) systematic study of the physics of LSMPs life cycles and (b) comprehensive model assessment of LSMP-extreme temperature event linkages and LSMP behavior. Generally, climate models capture the observed heat waves and cold air outbreaks with some fidelity. However they overestimate warm wave frequency and underestimate cold air outbreaks frequency, and underestimate the collective influence of low-frequency modes on temperature extremes. Climate models have been used to investigate past changes and project future trends in extreme temperatures. Overall, modeling studies have identified important mechanisms such as the effects of large-scale circulation anomalies and land-atmosphere interactions on changes in extreme temperatures. However, few studies have examined changes in LSMPs more specifically to understand the role of LSMPs on past and future extreme temperature changes. Even though LSMPs are resolvable by global and regional climate models, they are not necessarily well simulated so more

  15. North American extreme temperature events and related large scale meteorological patterns: A review of statistical methods, dynamics, modeling, and trends

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

    Grotjahn, Richard; Black, Robert; Leung, Ruby; Wehner, Michael F.; Barlow, Mathew; Bosilovich, Michael; Gershunov, Alexander; Gutowski, Jr., William J.; Gyakum, John R.; Katz, Richard W.; et al

    2015-05-22

    This paper reviews research approaches and open questions regarding data, statistical analyses, dynamics, modeling efforts, and trends in relation to temperature extremes. Our specific focus is upon extreme events of short duration (roughly less than 5 days) that affect parts of North America. These events are associated with large scale meteorological patterns (LSMPs). Methods used to define extreme events statistics and to identify and connect LSMPs to extreme temperatures are presented. Recent advances in statistical techniques can connect LSMPs to extreme temperatures through appropriately defined covariates that supplements more straightforward analyses. A wide array of LSMPs, ranging from synoptic tomore » planetary scale phenomena, have been implicated as contributors to extreme temperature events. Current knowledge about the physical nature of these contributions and the dynamical mechanisms leading to the implicated LSMPs is incomplete. There is a pressing need for (a) systematic study of the physics of LSMPs life cycles and (b) comprehensive model assessment of LSMP-extreme temperature event linkages and LSMP behavior. Generally, climate models capture the observed heat waves and cold air outbreaks with some fidelity. However they overestimate warm wave frequency and underestimate cold air outbreaks frequency, and underestimate the collective influence of low-frequency modes on temperature extremes. Climate models have been used to investigate past changes and project future trends in extreme temperatures. Overall, modeling studies have identified important mechanisms such as the effects of large-scale circulation anomalies and land-atmosphere interactions on changes in extreme temperatures. However, few studies have examined changes in LSMPs more specifically to understand the role of LSMPs on past and future extreme temperature changes. Even though LSMPs are resolvable by global and regional climate models, they are not necessarily well simulated so

  16. Calibration and validation of a spar-type floating offshore wind turbine model using the FAST dynamic simulation tool

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

    Browning, J. R.; Jonkman, J.; Robertson, A.; Goupee, A. J.

    2014-01-01

    In this study, high-quality computer simulations are required when designing floating wind turbines because of the complex dynamic responses that are inherent with a high number of degrees of freedom and variable metocean conditions. In 2007, the FAST wind turbine simulation tool, developed and maintained by the U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL), was expanded to include capabilities that are suitable for modeling floating offshore wind turbines. In an effort to validate FAST and other offshore wind energy modeling tools, DOE funded the DeepCwind project that tested three prototype floating wind turbines at 1/50th scale inmore » a wave basin, including a semisubmersible, a tension-leg platform, and a spar buoy. This paper describes the use of the results of the spar wave basin tests to calibrate and validate the FAST offshore floating simulation tool, and presents some initial results of simulated dynamic responses of the spar to several combinations of wind and sea states. Wave basin tests with the spar attached to a scale model of the NREL 5-megawatt reference wind turbine were performed at the Maritime Research Institute Netherlands under the DeepCwind project. This project included free-decay tests, tests with steady or turbulent wind and still water (both periodic and irregular waves with no wind), and combined wind/wave tests. The resulting data from the 1/50th model was scaled using Froude scaling to full size and used to calibrate and validate a full-size simulated model in FAST. Results of the model calibration and validation include successes, subtleties, and limitations of both wave basin testing and FAST modeling capabilities.« less

  17. Calibration and validation of a spar-type floating offshore wind turbine model using the FAST dynamic simulation tool

    SciTech Connect (OSTI)

    Browning, J. R.; Jonkman, J.; Robertson, A.; Goupee, A. J.

    2014-01-01

    In this study, high-quality computer simulations are required when designing floating wind turbines because of the complex dynamic responses that are inherent with a high number of degrees of freedom and variable metocean conditions. In 2007, the FAST wind turbine simulation tool, developed and maintained by the U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL), was expanded to include capabilities that are suitable for modeling floating offshore wind turbines. In an effort to validate FAST and other offshore wind energy modeling tools, DOE funded the DeepCwind project that tested three prototype floating wind turbines at 1/50th scale in a wave basin, including a semisubmersible, a tension-leg platform, and a spar buoy. This paper describes the use of the results of the spar wave basin tests to calibrate and validate the FAST offshore floating simulation tool, and presents some initial results of simulated dynamic responses of the spar to several combinations of wind and sea states. Wave basin tests with the spar attached to a scale model of the NREL 5-megawatt reference wind turbine were performed at the Maritime Research Institute Netherlands under the DeepCwind project. This project included free-decay tests, tests with steady or turbulent wind and still water (both periodic and irregular waves with no wind), and combined wind/wave tests. The resulting data from the 1/50th model was scaled using Froude scaling to full size and used to calibrate and validate a full-size simulated model in FAST. Results of the model calibration and validation include successes, subtleties, and limitations of both wave basin testing and FAST modeling capabilities.

  18. Update on Small Modular Reactors Dynamic System Modeling Tool: Web Application

    SciTech Connect (OSTI)

    Hale, Richard Edward; Cetiner, Sacit M.; Fugate, David L.; Batteh, John J; Tiller, Michael M.

    2015-01-01

    Previous reports focused on the development of component and system models as well as end-to-end system models using Modelica and Dymola for two advanced reactor architectures: (1) Advanced Liquid Metal Reactor and (2) fluoride high-temperature reactor (FHR). The focus of this report is the release of the first beta version of the web-based application for model use and collaboration, as well as an update on the FHR model. The web-based application allows novice users to configure end-to-end system models from preconfigured choices to investigate the instrumentation and controls implications of these designs and allows for the collaborative development of individual component models that can be benchmarked against test systems for potential inclusion in the model library. A description of this application is provided along with examples of its use and a listing and discussion of all the models that currently exist in the library.

  19. RF system models for the CERN Large Hadron Collider with application to longitudinal dynamics

    SciTech Connect (OSTI)

    Mastorides, T.; Rivetta, C.; Fox, J.D.; Winkle, D.Van; Baudrenghien, P.; /CERN

    2011-03-03

    The LHC RF station-beam interaction strongly influences the longitudinal beam dynamics, both single bunch and collective effects. Non-linearities and noise generated within the Radio Frequency (RF) accelerating system interact with the beam and contribute to beam motion and longitudinal emittance blowup. Thus, the noise power spectrum of the RF accelerating voltage strongly affects the longitudinal beam distribution. Furthermore, the coupled-bunch instabilities are also directly affected by the RF components and the configuration of the Low Level RF (LLRF) feedback loops. In this work we present a formalism relating the longitudinal beam dynamics with the RF system configurations, an estimation of collective effects stability margins, and an evaluation of longitudinal sensitivity to various LLRF parameters and configurations.

  20. Using System Dynamics to Model the Transition to Biofuels in the United States: Preprint

    SciTech Connect (OSTI)

    Bush, B.; Duffy, M.; Sandor, D.; Peterson, S.

    2008-06-01

    Transitioning to a biofuels industry that is expected to displace about 30% of current U.S. gasoline consumption requires a robust biomass-to-biofuels system-of-systems that operates in concert with the existing markets. This paper discusses employing a system dynamics approach to investigate potential market penetration scenarios for cellulosic ethanol and to help government decision makers focus on areas with greatest potential.

  1. Steady state and dynamic modeling of a packed bed reactor for the partial oxidation of methanol to formaldehyde: experimental results compared with model predictions

    SciTech Connect (OSTI)

    Schwedock, M.J.; Windes, L.C.; Ray, W.H.

    1985-01-01

    Heterogeneous and pseudohomogeneous models are compared to experimental data from a packed bed reactor for the partical oxidation of methanol to formaldehyde over an iron oxide-molybdenum oxide catalyst. Heat transfer parameters which were successful in matching data from experiments without reaction were not successful in matching temperature data from experiments with reaction. This made it necessary to decrease the fluid radial heat transfer to obtain good fit. A good fit was obtained for steady state composition profiles by optimizing selected frequency factors and the activation energy for methanol. A redox rate expression for the oxidation of formaldehyde to carbon monoxide was proposed since a simple first-order rate expression did not fit the data. The pseudohomogeneous model gave results similar to the heterogeneous model for both steady state and dynamic experiments and has been recommended for future experimental state estimation and control studies. 21 refs., 31 figs., 6 tabs.

  2. Dynamic modeling of injection-induced fault reactivation and ground motion and impact on surface structures and human perception

    SciTech Connect (OSTI)

    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 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.

  3. 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

  4. Understanding polarization properties of InAs quantum dots by atomistic modeling of growth dynamics

    SciTech Connect (OSTI)

    Tasco, Vittorianna; Todaro, Maria Teresa; De Giorgi, Milena; Passaseo, Adriana; Usman, Muhammad

    2013-12-04

    A model for realistic InAs quantum dot composition profile is proposed and analyzed, consisting of a double region scheme with an In-rich internal core and an In-poor external shell, in order to mimic the atomic scale phenomena such as In-Ga intermixing and In segregation during the growth and overgrowth with GaAs. The parameters of the proposed model are derived by reproducing the experimentally measured polarization data. Further understanding is developed by analyzing the strain fields which suggests that the two-composition model indeed results in lower strain energies than the commonly applied uniform composition model.

  5. Calibration and Validation of a Spar-Type Floating Offshore Wind Turbine Model using the FAST Dynamic Simulation Tool: Preprint

    SciTech Connect (OSTI)

    Browning, J. R.; Jonkman, J.; Robertson, A.; Goupee, A. J.

    2012-11-01

    In 2007, the FAST wind turbine simulation tool, developed and maintained by the U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL), was expanded to include capabilities that are suitable for modeling floating offshore wind turbines. In an effort to validate FAST and other offshore wind energy modeling tools, DOE funded the DeepCwind project that tested three prototype floating wind turbines at 1/50th scale in a wave basin, including a semisubmersible, a tension-leg platform, and a spar buoy. This paper describes the use of the results of the spar wave basin tests to calibrate and validate the FAST offshore floating simulation tool, and presents some initial results of simulated dynamic responses of the spar to several combinations of wind and sea states.

  6. Self-consistency tests of large-scale dynamics parameterizations for single-column modeling

    SciTech Connect (OSTI)

    Edman, Jacob P.; Romps, David M.

    2015-03-18

    Large-scale dynamics parameterizations are tested numerically in cloud-resolving simulations, including a new version of the weak-pressure-gradient approximation (WPG) introduced by Edman and Romps (2014), the weak-temperature-gradient approximation (WTG), and a prior implementation of WPG. We perform a series of self-consistency tests with each large-scale dynamics parameterization, in which we compare the result of a cloud-resolving simulation coupled to WTG or WPG with an otherwise identical simulation with prescribed large-scale convergence. In self-consistency tests based on radiative-convective equilibrium (RCE; i.e., no large-scale convergence), we find that simulations either weakly coupled or strongly coupled to either WPG or WTG are self-consistent, but WPG-coupled simulations exhibit a nonmonotonic behavior as the strength of the coupling to WPG is varied. We also perform self-consistency tests based on observed forcings from two observational campaigns: the Tropical Warm Pool International Cloud Experiment (TWP-ICE) and the ARM Southern Great Plains (SGP) Summer 1995 IOP. In these tests, we show that the new version of WPG improves upon prior versions of WPG by eliminating a potentially troublesome gravity-wave resonance.

  7. Self-consistency tests of large-scale dynamics parameterizations for single-column modeling

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

    Edman, Jacob P.; Romps, David M.

    2015-03-18

    Large-scale dynamics parameterizations are tested numerically in cloud-resolving simulations, including a new version of the weak-pressure-gradient approximation (WPG) introduced by Edman and Romps (2014), the weak-temperature-gradient approximation (WTG), and a prior implementation of WPG. We perform a series of self-consistency tests with each large-scale dynamics parameterization, in which we compare the result of a cloud-resolving simulation coupled to WTG or WPG with an otherwise identical simulation with prescribed large-scale convergence. In self-consistency tests based on radiative-convective equilibrium (RCE; i.e., no large-scale convergence), we find that simulations either weakly coupled or strongly coupled to either WPG or WTG are self-consistent, butmore » WPG-coupled simulations exhibit a nonmonotonic behavior as the strength of the coupling to WPG is varied. We also perform self-consistency tests based on observed forcings from two observational campaigns: the Tropical Warm Pool International Cloud Experiment (TWP-ICE) and the ARM Southern Great Plains (SGP) Summer 1995 IOP. In these tests, we show that the new version of WPG improves upon prior versions of WPG by eliminating a potentially troublesome gravity-wave resonance.« less

  8. Model Fidelity Study of Dynamic Transient Loads in a Wind Turbine Gearbox: Preprint

    SciTech Connect (OSTI)

    Guo, Y.; Keller, J.; Moan, T.; Xing, Y.

    2013-04-01

    Transient events cause high loads in the drivetrain components so measuring and calculating these loads can improve confidence in drivetrain design. This paper studies the Gearbox Reliability Collaborative 750kW wind turbine gearbox response during transient events using a combined experimental and modeling approach. The transient events include emergency shut-downs and start-ups measured during a field testing period in 2009. The drivetrain model is established in the multibody simulation tool Simpack. A detailed study of modeling fidelity required for accurate load prediction is performed and results are compared against measured loads. A high fidelity model that includes shaft and housing flexibility and accurate bearing stiffnesses is important for the higher-speed stage bearing loads. Each of the transient events has different modeling requirements.

  9. Finite temperature spin-dynamics and phase transitions in spin-orbital models

    SciTech Connect (OSTI)

    Chen, C.-C.

    2010-04-29

    We study finite temperature properties of a generic spin-orbital model relevant to transition metal compounds, having coupled quantum Heisenberg-spin and Ising-orbital degrees of freedom. The model system undergoes a phase transition, consistent with that of a 2D Ising model, to an orbitally ordered state at a temperature set by short-range magnetic order. At low temperatures the orbital degrees of freedom freeze-out and the model maps onto a quantum Heisenberg model. The onset of orbital excitations causes a rapid scrambling of the spin spectral weight away from coherent spin-waves, which leads to a sharp increase in uniform magnetic susceptibility just below the phase transition, reminiscent of the observed behavior in the Fe-pnictide materials.

  10. Dynamic Modeling of Learning in Emerging Energy Industries: The Example of Advanced Biofuels in the United States: Preprint

    SciTech Connect (OSTI)

    Vimmerstedt, Laura J.; Bush, Brian W.; Peterson, Steven O.

    2015-09-03

    This paper (and its supplemental model) presents novel approaches to modeling interactions and related policies among investment, production, and learning in an emerging competitive industry. New biomass-to-biofuels pathways are being developed and commercialized to support goals for U.S. advanced biofuel use, such as those in the Energy Independence and Security Act of 2007. We explore the impact of learning rates and techno-economics in a learning model excerpted from the Biomass Scenario Model (BSM), developed by the U.S. Department of Energy and the National Renewable Energy Laboratory to explore the impact of biofuel policy on the evolution of the biofuels industry. The BSM integrates investment, production, and learning among competing biofuel conversion options that are at different stages of industrial development. We explain the novel methods used to simulate the impact of differing assumptions about mature industry techno-economics and about learning rates while accounting for the different maturity levels of various conversion pathways. A sensitivity study shows that the parameters studied (fixed capital investment, process yield, progress ratios, and pre-commercial investment) exhibit highly interactive effects, and the system, as modeled, tends toward market dominance of a single pathway due to competition and learning dynamics.

  11. Building Conceptual Models of Field-Scale Uranium Reactive Transport in a Dynamic Vadose Zone-Aquifer-River System

    SciTech Connect (OSTI)

    Yabusaki, Steven B.; Fang, Yilin; Waichler, Scott R.

    2008-12-04

    Subsurface simulation is being used to build, test, and couple conceptual process models to better understand controls on a 0.4 km by 1.0 km uranium plume that has persisted above the drinking water standard in the groundwater of the Hanford 300 Area over the last 15 years. At this site, uranium-contaminated sediments in the vadose zone and aquifer are subject to significant variations in water levels and velocities driven by the diurnal, weekly, seasonal, and episodic Columbia River stage dynamics. Groundwater flow reversals typically occur twice a day with significant exchange of river water and groundwater in the near-river aquifer. Mixing of the dilute solution chemistry of the river with the groundwater complicates the uranium sorption behavior as the mobility of U(VI) has been shown experimentally to be a function of pH, carbonate, calcium, and uranium. Furthermore, uranium mass transfer between solid and aqueous phases has been observed to be rate-limited in the context of the high groundwater velocities resulting from the river stage fluctuations and the highly transmissive sediments (hydraulic conductivities ~1500 m/d). One- and two-dimensional vertical cross-sectional simulations of variably-saturated flow and reactive transport, based on laboratory-derived models of distributed rate mass transfer and equilibrium multicomponent surface complexation, are used to assess uranium transport at the dynamic vadose zone aquifer interface as well as changes to uranium mobility due to incursions of river water into the aquifer.

  12. Fluid Dynamics and Solid Mechanics

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

    and Solid Mechanics Basic and applied research in theoretical continuum dynamics, modern hydrodynamic theory, materials modeling, global climate modeling, numerical...

  13. Modeling of a negative ion source. I. Gas kinetics and dynamics in the expansion region

    SciTech Connect (OSTI)

    Taccogna, F.; Schneider, R.; Longo, S.; Capitelli, M.

    2007-07-15

    The vibrational population distribution of the electronic ground state of H{sub 2} in the expansion region of a negative ion source is investigated using a kinetic Monte Carlo model. Operative conditions are referred to the inductively coupled plasma radio frequency negative ion source developed at IPP-Garching. The different excitation and relaxation processes are discussed, both bulk and surface contributions. In particular, due to the relatively high plasma density, the relevant role of direct low energy electron-impact excitation, surface Auger neutralization, and vibration-translation deactivation are recovered. Results of the present model will be used as input data for the neutral source model in the extraction region.

  14. Modelling of the internal dynamics and density in a tens of joules plasma focus device

    SciTech Connect (OSTI)

    Marquez, Ariel; Gonzalez, Jose; Tarifeno-Saldivia, Ariel; Pavez, Cristian; Soto, Leopoldo; Clausse, Alejandro

    2012-01-15

    Using MHD theory, coupled differential equations were generated using a lumped parameter model to describe the internal behaviour of the pinch compression phase in plasma focus discharges. In order to provide these equations with appropriate initial conditions, the modelling of previous phases was included by describing the plasma sheath as planar shockwaves. The equations were solved numerically, and the results were contrasted against experimental measurements performed on the device PF-50J. The model is able to predict satisfactorily the timing and the radial electron density profile at the maximum compression.

  15. User Guide for PV Dynamic Model Simulation Written on PSCAD Platform

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

    ... terminal of the PV inverter, the higher harmonic components of the currents are filtered ... Model A voltage-source inverter (VSI) synthesizes a voltage source connected to the grid. ...

  16. Using System Dynamics to Model the Transition to Biofuels in the United States

    SciTech Connect (OSTI)

    Bush, B.; Duffy, M.; Sandor, D.; Peterson, S.

    2008-01-01

    Today, the U.S. consumes almost 21 million barrels of crude oil per day; approximately 60% of the U.S. demand is supplied by imports. The transportation sector alone accounts for two-thirds of U.S. petroleum use. Biofuels, liquid fuels produced from domestically-grown biomass, have the potential to displace about 30% of current U.S. gasoline consumption. Transitioning to a biofuels industry on this scale will require the creation of a robust biomass-to-biofuels system-of-systems that operates in concert with the existing agriculture, forestry, energy, and transportation markets. The U.S. Department of Energy is employing a system dynamics approach to investigate potential market penetration scenarios for cellulosic ethanol, and to aid decision makers in focusing government actions on the areas with greatest potential to accelerate the deployment of biofuels and ultimately reduce the nationpsilas dependence on imported oil.

  17. Observing and modelling f-region ionospheric dynamics using the (OII) 7320a emission. Doctoral thesis

    SciTech Connect (OSTI)

    Carr, S.S.

    1992-01-01

    Limb-scan observations of Doppler line profiles from the (OII) lambda 7320A emission at F-Region altitudes, made with the Fabry-Perot interferometer (FPI) on the Dynamics Explorer-2 (DE-2) spacecraft, have been analyzed to provide measurements of the meridional component of the ion convection velocity along the instrument line-of-sight. The DE-2 results presented here demonstrate the first spaceborne use of the remote-sensing Doppler techniques for measurements of ionospheric convection. The FPI meridional ion drift measurements have been compared with nearly simultaneous in situ ion drift measurements from the Retarding Potential Analyzer (RPA) on DE 2. Once allowance is made for the temporal lag between the in situ and remote measurements, the results from the two techniques are found to be in good agreement, within specified experimental errors, giving confidence in the FPI measurements.

  18. From many body wee partons dynamics to perfect fluid: a standard model for heavy ion collisions

    SciTech Connect (OSTI)

    Venugopalan, R.

    2010-07-22

    We discuss a standard model of heavy ion collisions that has emerged both from experimental results of the RHIC program and associated theoretical developments. We comment briefly on the impact of early results of the LHC program on this picture. We consider how this standard model of heavy ion collisions could be solidified or falsified in future experiments at RHIC, the LHC and a future Electro-Ion Collider.

  19. Dynamical properties measurements for asteroid, comet and meteorite material applicable to impact modeling and mitigation calculations

    SciTech Connect (OSTI)

    Furnish, M.D.; Boslough, M.B.; Gray, G.T. III; Remo, J.L.

    1994-07-01

    We describe methods for measuring dynamical properties for two material categories of interest in understanding large-scale extraterrestrial impacts: iron-nickel and underdense materials (e.g. snow). Particular material properties measured by the present methods include Hugoniot release paths and constitutive properties (stress vs. strain). The iron-nickel materials lend themselves well to conventional shock and quasi-static experiments. As examples, a suite of experiments is described including six impact tests (wave profile compression/release) over the stress range 2--20 GPa, metallography, quasi-static and split Hopkinson pressure bar (SHPB) mechanical testing, and ultrasonic mapping and sound velocity measurements. Temperature sensitivity of the dynamic behavior was measured at high and low strain rates. Among the iron-nickel materials tested, an octahedrite was found to have behavior close to that of Armco iron under shock and quasi-static conditions, while an ataxite exhibited a significantly larger quasi-static yield strength than did the octahedrite or a hexahedrite. The underdense materials pose three primary experimental difficulties. First, the samples are friable; they can melt or sublimate during storage, preparation and testing. Second, they are brittle and crushable; they cannot withstand such treatment as traditional machining or launch in a gun system. Third, with increasing porosity the calculated Hugoniot density becomes rapidly more sensitive to errors in wave time-of-arrival measurements. Carefully chosen simulants eliminate preservation (friability) difficulties, but the other difficulties remain. A family of 36 impact tests was conducted on snow and snow simulants at Sandia, yielding reliable Hugoniot and reshock states, but limited release property information. Other methods for characterizing these materials are discussed.

  20. THE LICK AGN MONITORING PROJECT 2011: DYNAMICAL MODELING OF THE BROAD-LINE REGION IN Mrk 50

    SciTech Connect (OSTI)

    Pancoast, Anna; Brewer, Brendon J.; Treu, Tommaso; Bennert, Vardha N.; Sand, David J.; Barth, Aaron J.; Cooper, Michael C.; Canalizo, Gabriela; Filippenko, Alexei V.; Li, Weidong; Cenko, S. Bradley; Clubb, Kelsey I.; Gates, Elinor L.; Greene, Jenny E.; Malkan, Matthew A.; Stern, Daniel; Assef, Roberto J.; Woo, Jong-Hak; Bae, Hyun-Jin; Buehler, Tabitha; and others

    2012-07-20

    We present dynamical modeling of the broad-line region (BLR) in the Seyfert 1 galaxy Mrk 50 using reverberation mapping data taken as part of the Lick AGN Monitoring Project (LAMP) 2011. We model the reverberation mapping data directly, constraining the geometry and kinematics of the BLR, as well as deriving a black hole mass estimate that does not depend on a normalizing factor or virial coefficient. We find that the geometry of the BLR in Mrk 50 is a nearly face-on thick disk, with a mean radius of 9.6{sup +1.2}{sub -0.9} light days, a width of the BLR of 6.9{sup +1.2}{sub -1.1} light days, and a disk opening angle of 25 {+-} 10 deg above the plane. We also constrain the inclination angle to be 9{sup +7}{sub -5} deg, close to face-on. Finally, the black hole mass of Mrk 50 is inferred to be log{sub 10}(M{sub BH}/M{sub Sun }) = 7.57{sup +0.44}{sub -0.27}. By comparison to the virial black hole mass estimate from traditional reverberation mapping analysis, we find the normalizing constant (virial coefficient) to be log{sub 10} f = 0.78{sup +0.44}{sub -0.27}, consistent with the commonly adopted mean value of 0.74 based on aligning the M{sub BH}-{sigma}* relation for active galactic nuclei and quiescent galaxies. While our dynamical model includes the possibility of a net inflow or outflow in the BLR, we cannot distinguish between these two scenarios.

  1. Development and Application of a Strength and Damage Model for Rock under Dynamic Loading

    SciTech Connect (OSTI)

    Antoun, T H; Lomov, I N; Glenn, L A

    2001-03-12

    Simulating the behavior of geologic materials under impact loading conditions requires the use of a constitutive model that includes the effects of bulking, yielding, damage, porous compaction and loading rate on the material response. This paper describes the development, implementation and calibration of a thermodynamically consistent constitutive model that incorporates these features. The paper also describes a computational study in which the model was used to perform numerical simulations of PILE DRIVER, a deeply-buried underground nuclear explosion detonated in granite at the Nevada Test Site. Particle velocity histories, peak velocity and peak displacement as a function of slant range obtained from the code simulations compare favorably with PILE DRIVER data. The simulated attenuation of peak velocity and peak displacement also agrees with the results from several other spherical wave experiments in granite.

  2. Test Cases for Wind Power Plant Dynamic Models on Real-Time Digital Simulator: Preprint

    SciTech Connect (OSTI)

    Singh, M.; Muljadi, E.; Gevorgian, V.

    2012-06-01

    The objective of this paper is to present test cases for wind turbine generator and wind power plant models commonly used during commissioning of wind power plants to ensure grid integration compatibility. In this paper, different types of wind power plant models based on the Western Electricity Coordinating Council Wind Generator Modeling Group's standardization efforts are implemented on a real-time digital simulator, and different test cases are used to gauge their grid integration capability. The low-voltage ride through and reactive power support capability and limitations of wind turbine generators under different grid conditions are explored. Several types of transient events (e.g., symmetrical and unsymmetrical faults, frequency dips) are included in the test cases. The differences in responses from different types of wind turbine are discussed in detail.

  3. Taking off the training wheels: the properties of a dynamic vegetation model without climate envelopes

    SciTech Connect (OSTI)

    Fisher, R. A.; Muszala, S.; Verteinstein, M.; Lawrence, P.; Xu, C.; McDowell, N. G.; Knox, R. G.; Koven, C.; Holm, J.; Rogers, B. M.; Lawrence, D.; Bonan, G.

    2015-04-29

    We describe an implementation of the Ecosystem Demography (ED) concept in the Community Land Model. The structure of CLM(ED) and the physiological and structural modifications applied to the CLM are presented. A major motivation of this development is to allow the prediction of biome boundaries directly from plant physiological traits via their competitive interactions. Here we investigate the performance of the model for an example biome boundary in Eastern North America. We explore the sensitivity of the predicted biome boundaries and ecosystem properties to the variation of leaf properties determined by the parameter space defined by the GLOPNET global leaf trait database. Further, we investigate the impact of four sequential alterations to the structural assumptions in the model governing the relative carbon economy of deciduous and evergreen plants. The default assumption is that the costs and benefits of deciduous vs. evergreen leaf strategies, in terms of carbon assimilation and expenditure, can reproduce the geographical structure of biome boundaries and ecosystem functioning. We find some support for this assumption, but only under particular combinations of model traits and structural assumptions. Many questions remain regarding the preferred methods for deployment of plant trait information in land surface models. In some cases, plant traits might best be closely linked with each other, but we also find support for direct linkages to environmental conditions. We advocate for intensified study of the costs and benefits of plant life history strategies in different environments, and for the increased use of parametric and structural ensembles in the development and analysis of complex vegetation models.

  4. Taking off the training wheels: the properties of a dynamic vegetation model without climate envelopes

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

    Fisher, R. A.; Muszala, S.; Verteinstein, M.; Lawrence, P.; Xu, C.; McDowell, N. G.; Knox, R. G.; Koven, C.; Holm, J.; Rogers, B. M.; et al

    2015-04-29

    We describe an implementation of the Ecosystem Demography (ED) concept in the Community Land Model. The structure of CLM(ED) and the physiological and structural modifications applied to the CLM are presented. A major motivation of this development is to allow the prediction of biome boundaries directly from plant physiological traits via their competitive interactions. Here we investigate the performance of the model for an example biome boundary in Eastern North America. We explore the sensitivity of the predicted biome boundaries and ecosystem properties to the variation of leaf properties determined by the parameter space defined by the GLOPNET global leafmore » trait database. Further, we investigate the impact of four sequential alterations to the structural assumptions in the model governing the relative carbon economy of deciduous and evergreen plants. The default assumption is that the costs and benefits of deciduous vs. evergreen leaf strategies, in terms of carbon assimilation and expenditure, can reproduce the geographical structure of biome boundaries and ecosystem functioning. We find some support for this assumption, but only under particular combinations of model traits and structural assumptions. Many questions remain regarding the preferred methods for deployment of plant trait information in land surface models. In some cases, plant traits might best be closely linked with each other, but we also find support for direct linkages to environmental conditions. We advocate for intensified study of the costs and benefits of plant life history strategies in different environments, and for the increased use of parametric and structural ensembles in the development and analysis of complex vegetation models.« less

  5. Dopant profile modeling by rare event enhanced domain-following molecular dynamics

    DOE Patents [OSTI]

    Beardmore, Keith M.; Jensen, Niels G.

    2002-01-01

    A computer-implemented molecular dynamics-based process simulates a distribution of ions implanted in a semiconductor substrate. The properties of the semiconductor substrate and ion dose to be simulated are first initialized, including an initial set of splitting depths that contain an equal number of virtual ions implanted in each substrate volume determined by the splitting depths. A first ion with selected velocity is input onto an impact position of the substrate that defines a first domain for the first ion during a first timestep, where the first domain includes only those atoms of the substrate that exert a force on the ion. A first position and velocity of the first ion is determined after the first timestep and a second domain of the first ion is formed at the first position. The first ion is split into first and second virtual ions if the first ion has passed through a splitting interval. The process then follows each virtual ion until all of the virtual ions have come to rest. A new ion is input to the surface and the process repeats until all of the ion dose has been input. The resulting ion rest positions form the simulated implant distribution.

  6. Thermoacoustic wave propagation modeling using a dynamically adaptive wavelet collocation method

    SciTech Connect (OSTI)

    Vasilyev, O.V.; Paolucci, S.

    1996-12-31

    When a localized region of a solid wall surrounding a compressible medium is subjected to a sudden temperature change, the medium in the immediate neighborhood of that region expands. This expansion generates pressure waves. These thermally-generated waves are referred to as thermoacoustic (TAC) waves. The main interest in thermoacoustic waves is motivated by their property to enhance heat transfer by inducing convective motion away from the heated area. Thermoacoustic wave propagation in a two-dimensional rectangular cavity is studied numerically. The thermoacoustic waves are generated by raising the temperature locally at the walls. The waves, which decay at large time due to thermal and viscous diffusion, propagate and reflect from the walls creating complicated two-dimensional patterns. The accuracy of numerical simulation is ensured by using a highly accurate, dynamically adaptive, multilevel wavelet collocation method, which allows local refinements to adapt to local changes in solution scales. Subsequently, high resolution computations are performed only in regions of large gradients. The computational cost of the method is independent of the dimensionality of the problem and is O(N), where N is the total number of collation points.

  7. A dynamic model for evaluating radionuclide distribution in forests from nuclear accidents

    SciTech Connect (OSTI)

    Schell, W.R.; Linkov, I.; Myttenaere, C.

    1996-03-01

    The Chernobyl Nuclear Power Plant accident in 1986 caused radionuclide contamination in most countries in Eastern and Western Europe. A prime example is Belarus where 23% of the total land area received chronic levels; about 1.5 X 10{sup 6} ha of forested lands were contaminated with 40-190 kBq m{sup -2} and 2.5 X 10{sup 4} ha received greater than 1,480 kBq m{sup -2} of {sup 137}Cs and other long-lived radionuclides such as {sup 90}Sr and {sup 239,240}Pu. Since the radiological dose to the forest ecosystem will tend to accumulate over long time periods (decades to centuries), we need to determine what countermeasures can be taken to limit this dose so that the affected regions can, once again, safely provide habitat and natural forest products. To address some of these problems, our initial objective is to formulate a generic model, FORESTPATH, which describes the major kinetic processes and pathways of radionuclide movement in forests and natural ecosystems and which can be used to predict future radionuclide concentrations. The model calculates the time-dependent radionuclide concentrations in different compartments of the forest ecosystem based on the information available on residence half-times in two forest types: coniferous and deciduous. The results show that the model reproduces well the radionuclide cycling pattern found in the literature for deciduous and coniferous forests. Variability analysis was used to access the relative importance of specific parameter values in the generic model performance. The FORESTPASTH model can be easily adjusted for site-specific applications. 92 refs., 5 figs., 6 tabs.

  8. Electric Double-Layer Structure in Primitive Model Electrolytes. Comparing Molecular Dynamics with Local-Density Approximations

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

    Giera, Brian; Lawrence Livermore National Lab.; Henson, Neil; Kober, Edward M.; Shell, M. Scott; Squires, Todd M.

    2015-02-27

    We evaluate the accuracy of local-density approximations (LDAs) using explicit molecular dynamics simulations of binary electrolytes comprised of equisized ions in an implicit solvent. The Bikerman LDA, which considers ions to occupy a lattice, poorly captures excluded volume interactions between primitive model ions. Instead, LDAs based on the Carnahan–Starling (CS) hard-sphere equation of state capture simulated values of ideal and excess chemical potential profiles extremely well, as is the relationship between surface charge density and electrostatic potential. Excellent agreement between the EDL capacitances predicted by CS-LDAs and computed in molecular simulations is found even in systems where ion correlations drivemore » strong density and free charge oscillations within the EDL, despite the inability of LDAs to capture the oscillations in the detailed EDL profiles.« less

  9. Integrated Dynamic Gloabal Modeling of Land Use, Energy and Economic Growth

    SciTech Connect (OSTI)

    Atul Jain, University of Illinois, Urbana-Champaign, IL Brian O'Neill, NCAR, Boulder, CO

    2009-10-14

    The overall objective of this collaborative project is to integrate an existing general equilibrium energy-economic growth model with a biogeochemical cycles and biophysical models in order to more fully explore the potential contribution of land use-related activities to future emissions scenarios. Land cover and land use change activities, including deforestation, afforestation, and agriculture management, are important source of not only CO2, but also non-CO2 GHGs. Therefore, contribution of land-use emissions to total emissions of GHGs is important, and consequently their future trends are relevant to the estimation of climate change and its mitigation. This final report covers the full project period of the award, beginning May 2006, which includes a sub-contract to Brown University later transferred to the National Center for Atmospheric Research (NCAR) when Co-PI Brian O'Neill changed institutional affiliations.

  10. Coupled molecular dynamics-Monte Carlo model to study the role of chemical processes during laser ablation of polymeric materials

    SciTech Connect (OSTI)

    Prasad, Manish; Conforti, Patrick F.; Garrison, Barbara J.

    2007-08-28

    The coarse grained chemical reaction model is enhanced to build a molecular dynamics (MD) simulation framework with an embedded Monte Carlo (MC) based reaction scheme. The MC scheme utilizes predetermined reaction chemistry, energetics, and rate kinetics of materials to incorporate chemical reactions occurring in a substrate into the MD simulation. The kinetics information is utilized to set the probabilities for the types of reactions to perform based on radical survival times and reaction rates. Implementing a reaction involves changing the reactants species types which alters their interaction potentials and thus produces the required energy change. We discuss the application of this method to study the initiation of ultraviolet laser ablation in poly(methyl methacrylate). The use of this scheme enables the modeling of all possible photoexcitation pathways in the polymer. It also permits a direct study of the role of thermal, mechanical, and chemical processes that can set off ablation. We demonstrate that the role of laser induced heating, thermomechanical stresses, pressure wave formation and relaxation, and thermochemical decomposition of the polymer substrate can be investigated directly by suitably choosing the potential energy and chemical reaction energy landscape. The results highlight the usefulness of such a modeling approach by showing that various processes in polymer ablation are intricately linked leading to the transformation of the substrate and its ejection. The method, in principle, can be utilized to study systems where chemical reactions are expected to play a dominant role or interact strongly with other physical processes.

  11. Embedded Sensors and Controls to Improve Component Performance and Reliability - System Dynamics Modeling and Control System Design

    SciTech Connect (OSTI)

    Melin, Alexander M.; Kisner, Roger A.; Fugate, David L.

    2013-10-01

    This report documents the current status of the modeling, control design, and embedded control research for the magnetic bearing canned rotor pump being used as a demonstration platform for deeply integrating instrumentation and controls (I{\\&}C) into nuclear power plant components. This pump is a highly inter-connected thermo/electro/mechanical system that requires an active control system to operate. Magnetic bearings are inherently unstable system and without active, moment by moment control, the rotor would contact fixed surfaces in the pump causing physical damage. This report details the modeling of the pump rotordynamics, fluid forces, electromagnetic properties of the protective cans, active magnetic bearings, power electronics, and interactions between different dynamical models. The system stability of the unforced and controlled rotor are investigated analytically. Additionally, controllers are designed using proportional derivative (PD) control, proportional integral derivative (PID) control, voltage control, and linear quadratic regulator (LQR) control. Finally, a design optimization problem that joins the electrical, mechanical, magnetic, and control system design into one problem to balance the opposing needs of various design criteria using the embedded system approach is presented.

  12. A hybrid programming model for compressible gas dynamics using openCL

    SciTech Connect (OSTI)

    Bergen, Benjamin Karl; Daniels, Marcus G; Weber, Paul M

    2010-01-01

    The current trend towards multicore/manycore and accelerated architectures presents challenges, both in portability, and also in the choices that developers must make on how to use the resources that these architectures provide. This paper explores some of the possibilities that are enabled by the Open Computing Language (OpenCL), and proposes a programming model that allows developers and scientists to more fully subscribe hybrid compute nodes, while, at the same time, reducing the impact of system failure.

  13. Hydra modeling of experiments to study ICF capsule fill hole dynamics using surrogate targets

    SciTech Connect (OSTI)

    Elliott, J B

    2007-08-27

    In this section the results of HYDRA [1] design simulations will be discussed. The simulations were conducted in two dimensional, RZ geometry, with the fill tube on axis. The radiation transport was treated in the diffusion approximation using 15 energy groups. Opacities were calculated. The equations of state (EOS) for all materials used were from a combined analytic/Thomas-Fermi EOS which uses a modified Cowan model for the ion EOS, and uses a scaled Thomas-Fermi table for the electron EOS.

  14. A dynamic model for the optimization of oscillatory low grade heat engines

    SciTech Connect (OSTI)

    Markides, Christos N.; Smith, Thomas C. B.

    2015-01-22

    The efficiency of a thermodynamic system is a key quantity on which its usefulness and wider application relies. This is especially true for a device that operates with marginal energy sources and close to ambient temperatures. Various definitions of efficiency are available, each of which reveals a certain performance characteristic of a device. Of these, some consider only the thermodynamic cycle undergone by the working fluid, whereas others contain additional information, including relevant internal components of the device that are not part of the thermodynamic cycle. Yet others attempt to factor out the conditions of the surroundings with which the device is interfacing thermally during operation. In this paper we present a simple approach for the modeling of complex oscillatory thermal-fluid systems capable of converting low grade heat into useful work. We apply the approach to the NIFTE, a novel low temperature difference heat utilization technology currently under development. We use the results from the model to calculate various efficiencies and comment on the usefulness of the different definitions in revealing performance characteristics. We show that the approach can be applied to make design optimization decisions, and suggest features for optimal efficiency of the NIFTE.

  15. Dynamic modeling of physical phenomena for probabilistic assessment of spent fuel accidents

    SciTech Connect (OSTI)

    Benjamin, A.S.

    1997-11-01

    If there should be an accident involving drainage of all the water from a spent fuel pool, the fuel elements will heat up until the heat produced by radioactive decay is balanced by that removed by natural convection to air, thermal radiation, and other means. If the temperatures become high enough for the cladding or other materials to ignite due to rapid oxidation, then some of the fuel might melt, leading to an undesirable release of radioactive materials. The amount of melting is dependent upon the fuel loading configuration and its age, the oxidation and melting characteristics of the materials, and the potential effectiveness of recovery actions. The authors have developed methods for modeling the pertinent physical phenomena and integrating the results with a probabilistic treatment of the uncertainty distributions. The net result is a set of complementary cumulative distribution functions for the amount of fuel melted.

  16. High-order continuum kinetic method for modeling plasma dynamics in phase space

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

    Vogman, G. V.; Colella, P.; Shumlak, U.

    2014-12-15

    Continuum methods offer a high-fidelity means of simulating plasma kinetics. While computationally intensive, these methods are advantageous because they can be cast in conservation-law form, are not susceptible to noise, and can be implemented using high-order numerical methods. Advances in continuum method capabilities for modeling kinetic phenomena in plasmas require the development of validation tools in higher dimensional phase space and an ability to handle non-cartesian geometries. To that end, a new benchmark for validating Vlasov-Poisson simulations in 3D (x,vx,vy) is presented. The benchmark is based on the Dory-Guest-Harris instability and is successfully used to validate a continuum finite volumemore » algorithm. To address challenges associated with non-cartesian geometries, unique features of cylindrical phase space coordinates are described. Preliminary results of continuum kinetic simulations in 4D (r,z,vr,vz) phase space are presented.« less

  17. Bifurcation and chaos in the simple passive dynamic walking model with upper body

    SciTech Connect (OSTI)

    Li, Qingdu; Guo, Jianli; Yang, Xiao-Song

    2014-09-01

    We present some rich new complex gaits in the simple walking model with upper body by Wisse et al. in [Robotica 22, 681 (2004)]. We first show that the stable gait found by Wisse et al. may become chaotic via period-doubling bifurcations. Such period-doubling routes to chaos exist for all parameters, such as foot mass, upper body mass, body length, hip spring stiffness, and slope angle. Then, we report three new gaits with period 3, 4, and 6; for each gait, there is also a period-doubling route to chaos. Finally, we show a practical method for finding a topological horseshoe in 3D Poincar map, and present a rigorous verification of chaos from these gaits.

  18. ANALYTICAL MODELS OF EXOPLANETARY ATMOSPHERES. I. ATMOSPHERIC DYNAMICS VIA THE SHALLOW WATER SYSTEM

    SciTech Connect (OSTI)

    Heng, Kevin; Workman, Jared E-mail: jworkman@coloradomesa.edu

    2014-08-01

    Within the context of exoplanetary atmospheres, we present a comprehensive linear analysis of forced, damped, magnetized shallow water systems, exploring the effects of dimensionality, geometry (Cartesian, pseudo-spherical, and spherical), rotation, magnetic tension, and hydrodynamic and magnetic sources of friction. Across a broad range of conditions, we find that the key governing equation for atmospheres and quantum harmonic oscillators are identical, even when forcing (stellar irradiation), sources of friction (molecular viscosity, Rayleigh drag, and magnetic drag), and magnetic tension are included. The global atmospheric structure is largely controlled by a single key parameter that involves the Rossby and Prandtl numbers. This near-universality breaks down when either molecular viscosity or magnetic drag acts non-uniformly across latitude or a poloidal magnetic field is present, suggesting that these effects will introduce qualitative changes to the familiar chevron-shaped feature witnessed in simulations of atmospheric circulation. We also find that hydrodynamic and magnetic sources of friction have dissimilar phase signatures and affect the flow in fundamentally different ways, implying that using Rayleigh drag to mimic magnetic drag is inaccurate. We exhaustively lay down the theoretical formalism (dispersion relations, governing equations, and time-dependent wave solutions) for a broad suite of models. In all situations, we derive the steady state of an atmosphere, which is relevant to interpreting infrared phase and eclipse maps of exoplanetary atmospheres. We elucidate a pinching effect that confines the atmospheric structure to be near the equator. Our suite of analytical models may be used to develop decisively physical intuition and as a reference point for three-dimensional magnetohydrodynamic simulations of atmospheric circulation.

  19. Dynamic Modeling and Control Studies of a Two-Stage Bubbling Fluidized Bed Adsorber-Reactor for Solid-Sorbent CO{sub 2} Capture

    SciTech Connect (OSTI)

    Modekurti, Srinivasarao; Bhattacharyya, Debangsu; Zitney, Stephen E.

    2013-07-31

    A one-dimensional, non-isothermal, pressure-driven dynamic model has been developed for a two-stage bubbling fluidized bed (BFB) adsorber-reactor for solid-sorbent carbon dioxide (CO{sub 2}) capture using Aspen Custom Modeler® (ACM). The BFB model for the flow of gas through a continuous phase of downward moving solids considers three regions: emulsion, bubble, and cloud-wake. Both the upper and lower reactor stages are of overflow-type configuration, i.e., the solids leave from the top of each stage. In addition, dynamic models have been developed for the downcomer that transfers solids between the stages and the exit hopper that removes solids from the bottom of the bed. The models of all auxiliary equipment such as valves and gas distributor have been integrated with the main model of the two-stage adsorber reactor. Using the developed dynamic model, the transient responses of various process variables such as CO{sub 2} capture rate and flue gas outlet temperatures have been studied by simulating typical disturbances such as change in the temperature, flowrate, and composition of the incoming flue gas from pulverized coal-fired power plants. In control studies, the performance of a proportional-integral-derivative (PID) controller, feedback-augmented feedforward controller, and linear model predictive controller (LMPC) are evaluated for maintaining the overall CO{sub 2} capture rate at a desired level in the face of typical disturbances.

  20. Computational fluid dynamics modeling of two-phase flow in a BWR fuel assembly. Final CRADA Report.

    SciTech Connect (OSTI)

    Tentner, A.; Nuclear Engineering Division

    2009-10-13

    A direct numerical simulation capability for two-phase flows with heat transfer in complex geometries can considerably reduce the hardware development cycle, facilitate the optimization and reduce the costs of testing of various industrial facilities, such as nuclear power plants, steam generators, steam condensers, liquid cooling systems, heat exchangers, distillers, and boilers. Specifically, the phenomena occurring in a two-phase coolant flow in a BWR (Boiling Water Reactor) fuel assembly include coolant phase changes and multiple flow regimes which directly influence the coolant interaction with fuel assembly and, ultimately, the reactor performance. Traditionally, the best analysis tools for this purpose of two-phase flow phenomena inside the BWR fuel assembly have been the sub-channel codes. However, the resolution of these codes is too coarse for analyzing the detailed intra-assembly flow patterns, such as flow around a spacer element. Advanced CFD (Computational Fluid Dynamics) codes provide a potential for detailed 3D simulations of coolant flow inside a fuel assembly, including flow around a spacer element using more fundamental physical models of flow regimes and phase interactions than sub-channel codes. Such models can extend the code applicability to a wider range of situations, which is highly important for increasing the efficiency and to prevent accidents.

  1. Computational fluid dynamics modeling of chemical looping combustion process with calcium sulphate oxygen carrier - article no. A19

    SciTech Connect (OSTI)

    Baosheng Jin; Rui Xiao; Zhongyi Deng; Qilei Song

    2009-07-01

    To concentrate CO{sub 2} in combustion processes by efficient and energy-saving ways is a first and very important step for its sequestration. Chemical looping combustion (CLC) could easily achieve this goal. A chemical-looping combustion system consists of a fuel reactor and an air reactor. Two reactors in the form of interconnected fluidized beds are used in the process: (1) a fuel reactor where the oxygen carrier is reduced by reaction with the fuel, and (2) an air reactor where the reduced oxygen carrier from the fuel reactor is oxidized with air. The outlet gas from the fuel reactor consists of CO{sub 2} and H{sub 2}O, while the outlet gas stream from the air reactor contains only N{sub 2} and some unused O{sub 2}. The water in combustion products can be easily removed by condensation and pure carbon dioxide is obtained without any loss of energy for separation. Until now, there is little literature about mathematical modeling of chemical-looping combustion using the computational fluid dynamics (CFD) approach. In this work, the reaction kinetic model of the fuel reactor (CaSO{sub 4}+ H{sub 2}) is developed by means of the commercial code FLUENT and the effects of partial pressure of H{sub 2} (concentration of H{sub 2}) on chemical looping combustion performance are also studied. The results show that the concentration of H{sub 2} could enhance the CLC performance.

  2. High-order continuum kinetic method for modeling plasma dynamics in phase space

    SciTech Connect (OSTI)

    Vogman, G. V.; Colella, P.; Shumlak, U.

    2014-12-15

    Continuum methods offer a high-fidelity means of simulating plasma kinetics. While computationally intensive, these methods are advantageous because they can be cast in conservation-law form, are not susceptible to noise, and can be implemented using high-order numerical methods. Advances in continuum method capabilities for modeling kinetic phenomena in plasmas require the development of validation tools in higher dimensional phase space and an ability to handle non-cartesian geometries. To that end, a new benchmark for validating Vlasov-Poisson simulations in 3D (x,vx,vy) is presented. The benchmark is based on the Dory-Guest-Harris instability and is successfully used to validate a continuum finite volume algorithm. To address challenges associated with non-cartesian geometries, unique features of cylindrical phase space coordinates are described. Preliminary results of continuum kinetic simulations in 4D (r,z,vr,vz) phase space are presented.

  3. KINETIC MODELING OF A FISCHER-TROPSCH REACTION OVER A COBALT CATALYST IN A SLURRY BUBBLE COLUMN REACTOR FOR INCORPORATION INTO A COMPUTATIONAL MULTIPHASE FLUID DYNAMICS MODEL

    SciTech Connect (OSTI)

    Anastasia Gribik; Doona Guillen, PhD; Daniel Ginosar, PhD

    2008-09-01

    Currently multi-tubular fixed bed reactors, fluidized bed reactors, and slurry bubble column reactors (SBCRs) are used in commercial Fischer Tropsch (FT) synthesis. There are a number of advantages of the SBCR compared to fixed and fluidized bed reactors. The main advantage of the SBCR is that temperature control and heat recovery are more easily achieved. The SBCR is a multiphase chemical reactor where a synthesis gas, comprised mainly of H2 and CO, is bubbled through a liquid hydrocarbon wax containing solid catalyst particles to produce specialty chemicals, lubricants, or fuels. The FT synthesis reaction is the polymerization of methylene groups [-(CH2)-] forming mainly linear alkanes and alkenes, ranging from methane to high molecular weight waxes. The Idaho National Laboratory is developing a computational multiphase fluid dynamics (CMFD) model of the FT process in a SBCR. This paper discusses the incorporation of absorption and reaction kinetics into the current hydrodynamic model. A phased approach for incorporation of the reaction kinetics into a CMFD model is presented here. Initially, a simple kinetic model is coupled to the hydrodynamic model, with increasing levels of complexity added in stages. The first phase of the model includes incorporation of the absorption of gas species from both large and small bubbles into the bulk liquid phase. The driving force for the gas across the gas liquid interface into the bulk liquid is dependent upon the interfacial gas concentration in both small and large bubbles. However, because it is difficult to measure the concentration at the gas-liquid interface, coefficients for convective mass transfer have been developed for the overall driving force between the bulk concentrations in the gas and liquid phases. It is assumed that there are no temperature effects from mass transfer of the gas phases to the bulk liquid phase, since there are only small amounts of dissolved gas in the liquid phase. The product from the

  4. The earliest events in protein folding: Helix dynamics in proteins and model peptides

    SciTech Connect (OSTI)

    Dyer, R.B.; Williams, S.; Woodruff, W.H. [Los Alamos National Lab., NM (United States)] [and others

    1996-12-31

    The earliest events in protein folding are critically important in determining the folding pathway, but have proved difficult to study by conventional approaches. We have developed new rapid initiation methods and structure-specific probes to interrogate the earliest events of protein folding. Our focus is the pathways. Folding or unfolding reactions are initiated on a fast timescale (10 ns) using a laser induced temperature jump (15 C) and probed with time-resolved infrared spectroscopy. We obtained the kinetics of the helix-coil transition for a model 21-residue peptide. The observed rate constant k{sub obs} = k{sub f} + k{sub u} for reversible kinetics; from the observed rate (6 x 10{sup 6} s{sup -1}) and the equilibrium constant favoring folding of 7.5 at 27 C, we calculate a folding lifetime of 180 ns and an unfolding lifetime of 1.4 {mu}s. The {open_quotes}molten globule{close_quotes} form of apomyoglobin (horse, pH*3, 0.15M NaCl) shows similar kinetics for helix that is unconstrained by tertiary structure (helix with an unusually low Amide I frequency, near 1633 cm{sup -1}). In {open_quotes}native{close_quotes} apomyoglobin (horse, pH*5.3, 10 mM NaCl) two very different rates (45 ns and 70 {mu}s) are observed and we infer that a third occurs on a timescales inaccessible to our experiment (> 1 ms). We suggest that the slower processes are due to helix formation that is rate-limited by the formation of tertiary structure.

  5. X-Ray Emitting GHz-Peaked Spectrum Galaxies: Testing a Dynamical-Radiative Model with Broad-Band Spectra

    SciTech Connect (OSTI)

    Ostorero, L.; Moderski, R.; Stawarz, L.; Diaferio, A.; Kowalska, I.; Cheung, C.C.; Kataoka, J.; Begelman, M.C.; Wagner, S.J.; ,

    2010-06-07

    In a dynamical-radiative model we recently developed to describe the physics of compact, GHz-Peaked-Spectrum (GPS) sources, the relativistic jets propagate across the inner, kpc-sized region of the host galaxy, while the electron population of the expanding lobes evolves and emits synchrotron and inverse-Compton (IC) radiation. Interstellar-medium gas clouds engulfed by the expanding lobes, and photoionized by the active nucleus, are responsible for the radio spectral turnover through free-free absorption (FFA) of the synchrotron photons. The model provides a description of the evolution of the GPS spectral energy distribution (SED) with the source expansion, predicting significant and complex high-energy emission, from the X-ray to the {gamma}-ray frequency domain. Here, we test this model with the broad-band SEDs of a sample of eleven X-ray emitting GPS galaxies with Compact-Symmetric-Object (CSO) morphology, and show that: (i) the shape of the radio continuum at frequencies lower than the spectral turnover is indeed well accounted for by the FFA mechanism; (ii) the observed X-ray spectra can be interpreted as non-thermal radiation produced via IC scattering of the local radiation fields off the lobe particles, providing a viable alternative to the thermal, accretion-disk dominated scenario. We also show that the relation between the hydrogen column densities derived from the X-ray (N{sub H}) and radio (N{sub HI}) data of the sources is suggestive of a positive correlation, which, if confirmed by future observations, would provide further support to our scenario of high-energy emitting lobes.

  6. Modeling the Gila-San Francisco Basin using system dynamics in support of the 2004 Arizona Water Settlement Act.

    SciTech Connect (OSTI)

    Tidwell, Vincent Carroll; Sun, Amy Cha-Tien; Peplinski, William J.; Klise, Geoffrey Taylor

    2012-04-01

    Water resource management requires collaborative solutions that cross institutional and political boundaries. This work describes the development and use of a computer-based tool for assessing the impact of additional water allocation from the Gila River and the San Francisco River prescribed in the 2004 Arizona Water Settlements Act. Between 2005 and 2010, Sandia National Laboratories engaged concerned citizens, local water stakeholders, and key federal and state agencies to collaboratively create the Gila-San Francisco Decision Support Tool. Based on principles of system dynamics, the tool is founded on a hydrologic balance of surface water, groundwater, and their associated coupling between water resources and demands. The tool is fitted with a user interface to facilitate sensitivity studies of various water supply and demand scenarios. The model also projects the consumptive use of water in the region as well as the potential CUFA (Consumptive Use and Forbearance Agreement which stipulates when and where Arizona Water Settlements Act diversions can be made) diversion over a 26-year horizon. Scenarios are selected to enhance our understanding of the potential human impacts on the rivers ecological health in New Mexico; in particular, different case studies thematic to water conservation, water rights, and minimum flow are tested using the model. The impact on potential CUFA diversions, agricultural consumptive use, and surface water availability are assessed relative to the changes imposed in the scenarios. While it has been difficult to gage the acceptance level from the stakeholders, the technical information that the model provides are valuable for facilitating dialogues in the context of the new settlement.

  7. GASFLOW: A Computational Fluid Dynamics Code for Gases, Aerosols, and Combustion, Volume 1: Theory and Computational Model

    SciTech Connect (OSTI)

    Nichols, B.D.; Mueller, C.; Necker, G.A.; Travis, J.R.; Spore, J.W.; Lam, K.L.; Royl, P.; Redlinger, R.; Wilson, T.L.

    1998-10-01

    Los Alamos National Laboratory (LANL) and Forschungszentrum Karlsruhe (FzK) are developing GASFLOW, a three-dimensional (3D) fluid dynamics field code as a best-estimate tool to characterize local phenomena within a flow field. Examples of 3D phenomena include circulation patterns; flow stratification; hydrogen distribution mixing and stratification; combustion and flame propagation; effects of noncondensable gas distribution on local condensation and evaporation; and aerosol entrainment, transport, and deposition. An analysis with GASFLOW will result in a prediction of the gas composition and discrete particle distribution in space and time throughout the facility and the resulting pressure and temperature loadings on the walls and internal structures with or without combustion. A major application of GASFLOW is for predicting the transport, mixing, and combustion of hydrogen and other gases in nuclear reactor containments and other facilities. It has been applied to situations involving transporting and distributing combustible gas mixtures. It has been used to study gas dynamic behavior (1) in low-speed, buoyancy-driven flows, as well as sonic flows or diffusion dominated flows; and (2) during chemically reacting flows, including deflagrations. The effects of controlling such mixtures by safety systems can be analyzed. The code version described in this manual is designated GASFLOW 2.1, which combines previous versions of the United States Nuclear Regulatory Commission code HMS (for Hydrogen Mixing Studies) and the Department of Energy and FzK versions of GASFLOW. The code was written in standard Fortran 90. This manual comprises three volumes. Volume I describes the governing physical equations and computational model. Volume II describes how to use the code to set up a model geometry, specify gas species and material properties, define initial and boundary conditions, and specify different outputs, especially graphical displays. Sample problems are included

  8. Comparison of the Dynamic Wake Meandering Model, Large-Eddy Simulation, and Field Data at the Egmond aan Zee Offshore Wind Plant: Preprint

    SciTech Connect (OSTI)

    Churchfield, M. J.; Moriarty, P. J.; Hao, Y.; Lackner, M. A.; Barthelmie, R.; Lundquist, J.; Oxley, G. S.

    2014-12-01

    The focus of this work is the comparison of the dynamic wake meandering model and large-eddy simulation with field data from the Egmond aan Zee offshore wind plant composed of 36 3-MW turbines. The field data includes meteorological mast measurements, SCADA information from all turbines, and strain-gauge data from two turbines. The dynamic wake meandering model and large-eddy simulation are means of computing unsteady wind plant aerodynamics, including the important unsteady meandering of wakes as they convect downstream and interact with other turbines and wakes. Both of these models are coupled to a turbine model such that power and mechanical loads of each turbine in the wind plant are computed. We are interested in how accurately different types of waking (e.g., direct versus partial waking), can be modeled, and how background turbulence level affects these loads. We show that both the dynamic wake meandering model and large-eddy simulation appear to underpredict power and overpredict fatigue loads because of wake effects, but it is unclear that they are really in error. This discrepancy may be caused by wind-direction uncertainty in the field data, which tends to make wake effects appear less pronounced.

  9. Molecular dynamics modeling of atomic displacement cascades in 3C-SiC: Comparison of interatomic potentials

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

    Samolyuk, German D.; Osetskiy, Yury N.; Stoller, Roger E.

    2015-06-03

    We used molecular dynamics modeling of atomic displacement cascades to characterize the nature of primary radiation damage in 3C-SiC. We demonstrated that the most commonly used interatomic potentials are inconsistent with ab initio calculations of defect energetics. Both the Tersoff potential used in this work and a modified embedded-atom method potential reveal a barrier to recombination of the carbon interstitial and carbon vacancy which is much higher than the density functional theory (DFT) results. The barrier obtained with a newer potential by Gao and Weber is closer to the DFT result. This difference results in significant differences in the cascademore » production of point defects. We have completed both 10 keV and 50 keV cascade simulations in 3C-SiC at a range of temperatures. In contrast to the Tersoff potential, the Gao-Weber potential produces almost twice as many C vacancies and interstitials at the time of maximum disorder (~0.2 ps) but only about 25% more stable defects at the end of the simulation. Only about 20% of the carbon defects produced with the Tersoff potential recombine during the in-cascade annealing phase, while about 60% recombine with the Gao-Weber potential.« less

  10. Molecular dynamics modeling of atomic displacement cascades in 3C-SiC: Comparison of interatomic potentials

    SciTech Connect (OSTI)

    Samolyuk, German D.; Osetskiy, Yury N.; Stoller, Roger E.

    2015-06-03

    We used molecular dynamics modeling of atomic displacement cascades to characterize the nature of primary radiation damage in 3C-SiC. We demonstrated that the most commonly used interatomic potentials are inconsistent with ab initio calculations of defect energetics. Both the Tersoff potential used in this work and a modified embedded-atom method potential reveal a barrier to recombination of the carbon interstitial and carbon vacancy which is much higher than the density functional theory (DFT) results. The barrier obtained with a newer potential by Gao and Weber is closer to the DFT result. This difference results in significant differences in the cascade production of point defects. We have completed both 10 keV and 50 keV cascade simulations in 3C-SiC at a range of temperatures. In contrast to the Tersoff potential, the Gao-Weber potential produces almost twice as many C vacancies and interstitials at the time of maximum disorder (~0.2 ps) but only about 25% more stable defects at the end of the simulation. Only about 20% of the carbon defects produced with the Tersoff potential recombine during the in-cascade annealing phase, while about 60% recombine with the Gao-Weber potential.

  11. Quantifying the impacts of land surface schemes and dynamic vegetation on the model dependency of projected changes in surface energy and water budgets

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

    Yu, Miao; Wang, Guiling; Chen, Haishan

    2016-03-01

    Assessing and quantifying the uncertainties in projected future changes of energy and water budgets over land surface are important steps toward improving our confidence in climate change projections. In our study, the contribution of land surface models to the inter-GCM variation of projected future changes in land surface energy and water fluxes are assessed based on output from 19 global climate models (GCMs) and offline Community Land Model version 4 (CLM4) simulations driven by meteorological forcing from the 19 GCMs. Similar offline simulations using CLM4 with its dynamic vegetation submodel are also conducted to investigate how dynamic vegetation feedback, amore » process that is being added to more earth system models, may amplify or moderate the intermodel variations of projected future changes. Projected changes are quantified as the difference between the 2081–2100 period from the Representative Concentration Pathway 8.5 (RCP8.5) future experiment and the 1981–2000 period from the historical simulation. Under RCP8.5, projected changes in surface water and heat fluxes show a high degree of model dependency across the globe. Although precipitation is very likely to increase in the high latitudes of the Northern Hemisphere, a high degree of model-related uncertainty exists for evapotranspiration, soil water content, and surface runoff, suggesting discrepancy among land surface models (LSMs) in simulating the surface hydrological processes and snow-related processes. Large model-related uncertainties for the surface water budget also exist in the Tropics including southeastern South America and Central Africa. Moreover, these uncertainties would be reduced in the hypothetical scenario of a single near-perfect land surface model being used across all GCMs, suggesting the potential to reduce uncertainties through the use of more consistent approaches toward land surface model development. Under such a scenario, the most significant reduction is likely to

  12. Pair dynamics and the intermolecular nuclear Overhauser effect (NOE) in liquids analysed by simulation and model theories: Application to an ionic liquid

    SciTech Connect (OSTI)

    Gabl, Sonja; Schröder, Christian; Braun, Daniel; Steinhauser, Othmar; Weingärtner, Hermann

    2014-05-14

    Combining simulation and model theories, this paper analyses the impact of pair dynamics on the intermolecular nuclear Overhauser effect (NOE) in liquids. For the first time, we give a distance resolved NOE. When applied to the ionic liquid 1-ethyl-3-methyl-imidazolium tetrafluoroborate the NOE turns out to be of long-range nature. This behaviour translates to the experimentally measured cross- and longitudinal relaxation rates. We were able to calculate the heteronuclear NOE from simulation data, despite the high computational effort. Model theories are computationally less demanding and cover the complete frequency range of the respective spectral density function, they are usually based on a very simple pair distribution function and the solution of the diffusion equation. In order to model the simulated data sufficiently, these simplifications in structure and dynamics have to be generalised considerably.

  13. Prediction of Thermal Conductivity for Irradiated SiC/SiC Composites by Informing Continuum Models with Molecular Dynamics Data

    SciTech Connect (OSTI)

    Nguyen, Ba Nghiep; Gao, Fei; Henager, Charles H.; Kurtz, Richard J.

    2014-05-01

    This article proposes a new method to estimate the thermal conductivity of SiC/SiC composites subjected to neutron irradiation. The modeling method bridges different scales from the atomic scale to the scale of a 2D SiC/SiC composite. First, it studies the irradiation-induced point defects in perfect crystalline SiC using molecular dynamics (MD) simulations to compute the defect thermal resistance as a function of vacancy concentration and irradiation dose. The concept of defect thermal resistance is explored explicitly in the MD data using vacancy concentrations and thermal conductivity decrements due to phonon scattering. Point defect-induced swelling for chemical vapor deposited (CVD) SiC as a function of irradiation dose is approximated by scaling the corresponding MD results for perfect crystal ?-SiC to experimental data for CVD-SiC at various temperatures. The computed thermal defect resistance, thermal conductivity as a function of grain size, and definition of defect thermal resistance are used to compute the thermal conductivities of CVD-SiC, isothermal chemical vapor infiltrated (ICVI) SiC and nearly-stoichiometric SiC fibers. The computed fiber and ICVI-SiC matrix thermal conductivities are then used as input for an Eshelby-Mori-Tanaka approach to compute the thermal conductivities of 2D SiC/SiC composites subjected to neutron irradiation within the same irradiation doses. Predicted thermal conductivities for an irradiated Tyranno-SA/ICVI-SiC composite are found to be comparable to available experimental data for a similar composite ICVI-processed with these fibers.

  14. Computational Fluid Dynamics Modeling of the Bonneville Project: Tailrace Spill Patterns for Low Flows and Corner Collector Smolt Egress

    SciTech Connect (OSTI)

    Rakowski, Cynthia L.; Serkowski, John A.; Richmond, Marshall C.; Perkins, William A.

    2010-12-01

    In 2003, an extension of the existing ice and trash sluiceway was added at Bonneville Powerhouse 2 (B2). This extension started at the existing corner collector for the ice and trash sluiceway adjacent to Bonneville Powerhouse 2 and the new sluiceway was extended to the downstream end of Cascade Island. The sluiceway was designed to improve juvenile salmon survival by bypassing turbine passage at B2, and placing these smolt in downstream flowing water minimizing their exposure to fish and avian predators. In this study, a previously developed computational fluid dynamics model was modified and used to characterized tailrace hydraulics and sluiceway egress conditions for low total river flows and low levels of spillway flow. STAR-CD v4.10 was used for seven scenarios of low total river flow and low spill discharges. The simulation results were specifically examined to look at tailrace hydraulics at 5 ft below the tailwater elevation, and streamlines used to compare streamline pathways for streamlines originating in the corner collector outfall and adjacent to the outfall. These streamlines indicated that for all higher spill percentage cases (25% and greater) that streamlines from the corner collector did not approach the shoreline at the downstream end of Bradford Island. For the cases with much larger spill percentages, the streamlines from the corner collector were mid-channel or closer to the Washington shore as they moved downstream. Although at 25% spill at 75 kcfs total river, the total spill volume was sufficient to "cushion" the flow from the corner collector from the Bradford Island shore, areas of recirculation were modeled in the spillway tailrace. However, at the lowest flows and spill percentages, the streamlines from the B2 corner collector pass very close to the Bradford Island shore. In addition, the very flow velocity flows and large areas of recirculation greatly increase potential predator exposure of the spillway passed smolt. If there is

  15. Computational Fluid Dynamics

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

    scour-tracc-cfd TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling Computational Fluid Dynamics Overview of CFD: Video Clip with Audio Computational fluid dynamics (CFD) research uses mathematical and computational models of flowing fluids to describe and predict fluid response in problems of interest, such as the flow of air around a moving vehicle or the flow of water and sediment in a river. Coupled with appropriate and prototypical

  16. Lung motion estimation using dynamic point shifting: An innovative model based on a robust point matching algorithm

    SciTech Connect (OSTI)

    Yi, Jianbing; Yang, Xuan Li, Yan-Ran; Chen, Guoliang

    2015-10-15

    Purpose: Image-guided radiotherapy is an advanced 4D radiotherapy technique that has been developed in recent years. However, respiratory motion causes significant uncertainties in image-guided radiotherapy procedures. To address these issues, an innovative lung motion estimation model based on a robust point matching is proposed in this paper. Methods: An innovative robust point matching algorithm using dynamic point shifting is proposed to estimate patient-specific lung motion during free breathing from 4D computed tomography data. The correspondence of the landmark points is determined from the Euclidean distance between the landmark points and the similarity between the local images that are centered at points at the same time. To ensure that the points in the source image correspond to the points in the target image during other phases, the virtual target points are first created and shifted based on the similarity between the local image centered at the source point and the local image centered at the virtual target point. Second, the target points are shifted by the constrained inverse function mapping the target points to the virtual target points. The source point set and shifted target point set are used to estimate the transformation function between the source image and target image. Results: The performances of the authors’ method are evaluated on two publicly available DIR-lab and POPI-model lung datasets. For computing target registration errors on 750 landmark points in six phases of the DIR-lab dataset and 37 landmark points in ten phases of the POPI-model dataset, the mean and standard deviation by the authors’ method are 1.11 and 1.11 mm, but they are 2.33 and 2.32 mm without considering image intensity, and 1.17 and 1.19 mm with sliding conditions. For the two phases of maximum inhalation and maximum exhalation in the DIR-lab dataset with 300 landmark points of each case, the mean and standard deviation of target registration errors on the

  17. Modeling

    SciTech Connect (OSTI)

    Loth, E.; Tryggvason, G.; Tsuji, Y.; Elghobashi, S. E.; Crowe, Clayton T.; Berlemont, A.; Reeks, M.; Simonin, O.; Frank, Th; Onishi, Yasuo; Van Wachem, B.

    2005-09-01

    Slurry flows occur in many circumstances, including chemical manufacturing processes, pipeline transfer of coal, sand, and minerals; mud flows; and disposal of dredged materials. In this section we discuss slurry flow applications related to radioactive waste management. The Hanford tank waste solids and interstitial liquids will be mixed to form a slurry so it can be pumped out for retrieval and treatment. The waste is very complex chemically and physically. The ARIEL code is used to model the chemical interactions and fluid dynamics of the waste.

  18. To develop a dynamic model of a collector loop for purpose of improved control of solar heating and cooling. Final technical report. [TRNSYS code

    SciTech Connect (OSTI)

    Herczfeld, P R; Fischl, R

    1980-01-01

    The program objectives were to (1) assess the feasibility of using the TRNSYS computer code for solar heating and cooling control studies and modify it wherever possible, and (2) develop a new dynamic model of the solar collector which reflects the performance of the collector under transient conditions. Also, the sensitivity of the performance of this model to the various system parameters such as collector time constants, flow rates, turn-on and turn-off temperature set points, solar insolation, etc., was studied. Results are presented and discussed. (WHK)

  19. Final Technical Report for Collaborative Research: Regional climate-change projections through next-generation empirical and dynamical models, DE-FG02-07ER64429

    SciTech Connect (OSTI)

    Smyth, Padhraic

    2013-07-22

    This is the final report for a DOE-funded research project describing the outcome of research on non-homogeneous hidden Markov models (NHMMs) and coupled ocean-atmosphere (O-A) intermediate-complexity models (ICMs) to identify the potentially predictable modes of climate variability, and to investigate their impacts on the regional-scale. The main results consist of extensive development of the hidden Markov models for rainfall simulation and downscaling specifically within the non-stationary climate change context together with the development of parallelized software; application of NHMMs to downscaling of rainfall projections over India; identification and analysis of decadal climate signals in data and models; and, studies of climate variability in terms of the dynamics of atmospheric flow regimes.

  20. Dynamical principles in neuroscience

    SciTech Connect (OSTI)

    Rabinovich, Mikhail I.; Varona, Pablo; Selverston, Allen I.; Abarbanel, Henry D. I.

    2006-10-15

    Dynamical modeling of neural systems and brain functions has a history of success over the last half century. This includes, for example, the explanation and prediction of some features of neural rhythmic behaviors. Many interesting dynamical models of learning and memory based on physiological experiments have been suggested over the last two decades. Dynamical models even of consciousness now exist. Usually these models and results are based on traditional approaches and paradigms of nonlinear dynamics including dynamical chaos. Neural systems are, however, an unusual subject for nonlinear dynamics for several reasons: (i) Even the simplest neural network, with only a few neurons and synaptic connections, has an enormous number of variables and control parameters. These make neural systems adaptive and flexible, and are critical to their biological function. (ii) In contrast to traditional physical systems described by well-known basic principles, first principles governing the dynamics of neural systems are unknown. (iii) Many different neural systems exhibit similar dynamics despite having different architectures and different levels of complexity. (iv) The network architecture and connection strengths are usually not known in detail and therefore the dynamical analysis must, in some sense, be probabilistic. (v) Since nervous systems are able to organize behavior based on sensory inputs, the dynamical modeling of these systems has to explain the transformation of temporal information into combinatorial or combinatorial-temporal codes, and vice versa, for memory and recognition. In this review these problems are discussed in the context of addressing the stimulating questions: What can neuroscience learn from nonlinear dynamics, and what can nonlinear dynamics learn from neuroscience?.

  1. Graybox and adaptative dynamic neural network identification models to infer the steady state efficiency of solar thermal collectors starting from the transient condition

    SciTech Connect (OSTI)

    Roberto, Baccoli; Ubaldo, Carlini; Stefano, Mariotti; Roberto, Innamorati; Elisa, Solinas; Paolo, Mura

    2010-06-15

    This paper deals with the development of methods for non steady state test of solar thermal collectors. Our goal is to infer performances in steady-state conditions in terms of the efficiency curve when measures in transient conditions are the only ones available. We take into consideration the method of identification of a system in dynamic conditions by applying a Graybox Identification Model and a Dynamic Adaptative Linear Neural Network (ALNN) model. The study targets the solar collector with evacuated pipes, such as Dewar pipes. The mathematical description that supervises the functioning of the solar collector in transient conditions is developed using the equation of the energy balance, with the aim of determining the order and architecture of the two models. The input and output vectors of the two models are constructed, considering the measures of 4 days of solar radiation, flow mass, environment and heat-transfer fluid temperature in the inlet and outlet from the thermal solar collector. The efficiency curves derived from the two models are detected in correspondence to the test and validation points. The two synthetic simulated efficiency curves are compared with the actual efficiency curve certified by the Swiss Institute Solartechnik Puffung Forschung which tested the solar collector performance in steady-state conditions according to the UNI-EN 12975 standard. An acquisition set of measurements of only 4 days in the transient condition was enough to trace through a Graybox State Space Model the efficiency curve of the tested solar thermal collector, with a relative error of synthetic values with respect to efficiency certified by SPF, lower than 0.5%, while with the ALNN model the error is lower than 2.2% with respect to certified one. (author)

  2. Dynamic model of Italy`s Progetto Energia cogeneration plants aims to better predict plant performance, cut start-up costs

    SciTech Connect (OSTI)

    1996-12-31

    Over the next four years, the Progetto Energia project will be building several cogeneration plants to help satisfy the increasing demands of Italy`s industrial users and the country`s demand for electrical power. Located at six different sites within Italy, these combined-cycle cogeneration plants will supply a total of 500 MW of electricity and 100 tons/hr of process steam to Italian industries and residences. To ensure project success, a dynamic model of the 50-MW base unit was developed. The goal established for the model was to predict the dynamic behavior of the complex thermodynamic system in order to assess equipment performance and control system effectiveness for normal operation and, more importantly, abrupt load changes. In addition to fulfilling its goals, the dynamic study guided modifications to controller logic that significantly improved steam drum pressure control and bypassed steam desuperheating performance simulations of normal and abrupt transient events allowed engineers to define optimum controller gain coefficients. The dynamic study will undoubtedly reduce the associated plant start-up costs and contribute to a smooth commercial plant acceptance. As a result of the work, the control system has already been through its check-out and performance evaluation, usually performed during the plant start-up phase. Field engineers will directly benefit from this effort to identify and resolve control system {open_quotes}bugs{close_quotes} before the equipment reaches the field. High thermal efficiency, rapid dispatch and high plant availability were key reasons why the natural gas combined-cycle plant was chosen. Other favorable attributes of the combined-cycle plant contributing to the decision were: Minimal environmental impact; a simple and effective process and control philosophy to result in safe and easy plant operation; a choice of technologies and equipment proven in a large number of applications.

  3. Protein Dynamics and Biocatalysis

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

    Protein Dynamics and Biocatalysis Protein Dynamics and Biocatalysis 1998 Annual Report Grand Challenge Projects biocatalysis.gif A model of the Michaelis complex for the TEM-1/penicillin system from molecular dynamics simulations. Investigators: P. A. Bash, Northwestern University Medical School and M. Karplus, Harvard University Research Objectives A guiding principle of molecular biology is that the structure of a biomolecule defines its function. This principle is especially true in the case

  4. Effect of parameter variations on the static and dynamic behaviour of a self-assembled quantum-dot laser using circuit-level modelling

    SciTech Connect (OSTI)

    Razm-Pa, M; Emami, F

    2015-01-31

    We report a new circuit model for a self-assembled quantum-dot (SAQD) laser made of InGaAs/GaAs structures. The model is based on the excited state and standard rate equations, improves the previously suggested circuit models and also provides and investigates the performance of this kind of laser. The carrier dynamic effects on static and dynamic characteristics of a SAQD laser are analysed. The phonon bottleneck problem is simulated. Quantum-dot lasers are shown to be quite sensitive to the crystal quality outside and inside quantum dots. The effects of QD coverage factor, inhomogeneous broadening, the physical source of which is the size fluctuation of quantum dots formed by self-assembly of atoms, and cavity length on the SAQD laser characteristics are analysed. The results of simulation show that an increase in the cavity length and in the QD coverage factor results in the growth of the output power. On the other hand, an increase in the coverage factor and a degradation of inhomogeneous broadening lead to an increase in the modulation bandwidth. The effect of the QD height (cylindrical shape) and stripe width of the laser cavity on QD laser modulation is also analysed. (lasers)

  5. Using field observations to inform thermal hydrology models of permafrost dynamics with ATS (v0.83)

    SciTech Connect (OSTI)

    Atchley, Adam L.; Painter, Scott L.; Harp, Dylan R.; Coon, Ethan T.; Wilson, Cathy J.; Liljedahl, Anna K.; Romanovsky, V. E.

    2015-09-01

    Climate change is profoundly transforming the carbon-rich Arctic tundra landscape, potentially moving it from a carbon sink to a carbon source by increasing the thickness of soil that thaws on a seasonal basis. Thus, the modeling capability and precise parameterizations of the physical characteristics needed to estimate projected active layer thickness (ALT) are limited in Earth system models (ESMs). In particular, discrepancies in spatial scale between field measurements and Earth system models challenge validation and parameterization of hydrothermal models. A recently developed surface–subsurface model for permafrost thermal hydrology, the Advanced Terrestrial Simulator (ATS), is used in combination with field measurements to achieve the goals of constructing a process-rich model based on plausible parameters and to identify fine-scale controls of ALT in ice-wedge polygon tundra in Barrow, Alaska. An iterative model refinement procedure that cycles between borehole temperature and snow cover measurements and simulations functions to evaluate and parameterize different model processes necessary to simulate freeze–thaw processes and ALT formation. After model refinement and calibration, reasonable matches between simulated and measured soil temperatures are obtained, with the largest errors occurring during early summer above ice wedges (e.g., troughs). The results suggest that properly constructed and calibrated one-dimensional thermal hydrology models have the potential to provide reasonable representation of the subsurface thermal response and can be used to infer model input parameters and process representations. The models for soil thermal conductivity and snow distribution were found to be the most sensitive process representations. However, information on lateral flow and snowpack evolution might be needed to constrain model representations of surface hydrology and snow depth.

  6. Using field observations to inform thermal hydrology models of permafrost dynamics with ATS (v0.83)

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

    Atchley, Adam L.; Painter, Scott L.; Harp, Dylan R.; Coon, Ethan T.; Wilson, Cathy J.; Liljedahl, Anna K.; Romanovsky, V. E.

    2015-09-01

    Climate change is profoundly transforming the carbon-rich Arctic tundra landscape, potentially moving it from a carbon sink to a carbon source by increasing the thickness of soil that thaws on a seasonal basis. Thus, the modeling capability and precise parameterizations of the physical characteristics needed to estimate projected active layer thickness (ALT) are limited in Earth system models (ESMs). In particular, discrepancies in spatial scale between field measurements and Earth system models challenge validation and parameterization of hydrothermal models. A recently developed surface–subsurface model for permafrost thermal hydrology, the Advanced Terrestrial Simulator (ATS), is used in combination with field measurementsmore » to achieve the goals of constructing a process-rich model based on plausible parameters and to identify fine-scale controls of ALT in ice-wedge polygon tundra in Barrow, Alaska. An iterative model refinement procedure that cycles between borehole temperature and snow cover measurements and simulations functions to evaluate and parameterize different model processes necessary to simulate freeze–thaw processes and ALT formation. After model refinement and calibration, reasonable matches between simulated and measured soil temperatures are obtained, with the largest errors occurring during early summer above ice wedges (e.g., troughs). The results suggest that properly constructed and calibrated one-dimensional thermal hydrology models have the potential to provide reasonable representation of the subsurface thermal response and can be used to infer model input parameters and process representations. The models for soil thermal conductivity and snow distribution were found to be the most sensitive process representations. However, information on lateral flow and snowpack evolution might be needed to constrain model representations of surface hydrology and snow depth.« less

  7. Development and pilot testing of modular dynamic thermomechanical pulp mill model to develop energy reduction strategies. Final report

    SciTech Connect (OSTI)

    Coffin, D.W.

    1996-10-01

    With the development of on-line and real-time process simulations, one obtains the ability to predict and control the process; thus, the opportunity exists to improve energy efficiency, decrease materials wastes, and maintain product quality. Developing this capability was the objective of the this research program. A thermomechanical pulp mill was simulated using both a first principles model and a neural network. The models made use of actual process data and a model that calculated the mass and energy balance of the mill was successfully implemented and run at the mill on an hourly basis. The attempt to develop a model that accurately predicted the quality of the pulp was not successful. It was concluded that the key fro a successful implementation of a real-time control model, such as a neural net model, is availability of on-line sensors that sufficiently characterize the pulp.

  8. Using field observations to inform thermal hydrology models of permafrost dynamics with ATS (v0.83)

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

    Atchley, A. L.; Painter, S. L.; Harp, D. R.; Coon, E. T.; Wilson, C. J.; Liljedahl, A. K.; Romanovsky, V. E.

    2015-04-14

    Climate change is profoundly transforming the carbon-rich Arctic tundra landscape, potentially moving it from a carbon sink to a carbon source by increasing the thickness of soil that thaws on a seasonal basis. However, the modeling capability and precise parameterizations of the physical characteristics needed to estimate projected active layer thickness (ALT) are limited in Earth System Models (ESMs). In particular, discrepancies in spatial scale between field measurements and Earth System Models challenge validation and parameterization of hydrothermal models. A recently developed surface/subsurface model for permafrost thermal hydrology, the Advanced Terrestrial Simulator (ATS), is used in combination with field measurementsmore » to calibrate and identify fine scale controls of ALT in ice wedge polygon tundra in Barrow, Alaska. An iterative model refinement procedure that cycles between borehole temperature and snow cover measurements and simulations functions to evaluate and parameterize different model processes necessary to simulate freeze/thaw processes and ALT formation. After model refinement and calibration, reasonable matches between simulated and measured soil temperatures are obtained, with the largest errors occurring during early summer above ice wedges (e.g. troughs). The results suggest that properly constructed and calibrated one-dimensional thermal hydrology models have the potential to provide reasonable representation of the subsurface thermal response and can be used to infer model input parameters and process representations. The models for soil thermal conductivity and snow distribution were found to be the most sensitive process representations. However, information on lateral flow and snowpack evolution might be needed to constrain model representations of surface hydrology and snow depth.« less

  9. Using field observations to inform thermal hydrology models of permafrost dynamics with ATS (v0.83)

    SciTech Connect (OSTI)

    Atchley, A. L.; Painter, S. L.; Harp, D. R.; Coon, E. T.; Wilson, C. J.; Liljedahl, A. K.; Romanovsky, V. E.

    2015-04-14

    Climate change is profoundly transforming the carbon-rich Arctic tundra landscape, potentially moving it from a carbon sink to a carbon source by increasing the thickness of soil that thaws on a seasonal basis. However, the modeling capability and precise parameterizations of the physical characteristics needed to estimate projected active layer thickness (ALT) are limited in Earth System Models (ESMs). In particular, discrepancies in spatial scale between field measurements and Earth System Models challenge validation and parameterization of hydrothermal models. A recently developed surface/subsurface model for permafrost thermal hydrology, the Advanced Terrestrial Simulator (ATS), is used in combination with field measurements to calibrate and identify fine scale controls of ALT in ice wedge polygon tundra in Barrow, Alaska. An iterative model refinement procedure that cycles between borehole temperature and snow cover measurements and simulations functions to evaluate and parameterize different model processes necessary to simulate freeze/thaw processes and ALT formation. After model refinement and calibration, reasonable matches between simulated and measured soil temperatures are obtained, with the largest errors occurring during early summer above ice wedges (e.g. troughs). The results suggest that properly constructed and calibrated one-dimensional thermal hydrology models have the potential to provide reasonable representation of the subsurface thermal response and can be used to infer model input parameters and process representations. The models for soil thermal conductivity and snow distribution were found to be the most sensitive process representations. However, information on lateral flow and snowpack evolution might be needed to constrain model representations of surface hydrology and snow depth.

  10. Simulating coarse-scale vegetation dynamics using the Columbia River Basin succession model-crbsum. Forest Service general technical report

    SciTech Connect (OSTI)

    Keane, R.E.; Long, D.G.; Menakis, J.P.; Hann, W.J.; Bevins, C.D.

    1996-10-01

    The paper details the landscape succession model developed for the coarse-scale assessment called CRBSUM (Columbia River Basin SUccession Model) and presents some general results of the application of this model to the entire basin. CRBSUM was used to predict future landscape characteristics to evaluate management alternatives for both mid-and coarse-scale efforts. A test and sensitivity analysis of CRBSUM is also presented. This paper was written as a users guide for those who wish to run the model and interprete results, and its was also written as documentation for some results of the Interior Columbia River Basin simulation effort.

  11. Nonlinear dynamics of the ion Weibel-filamentation instability: An analytical model for the evolution of the plasma and spectral properties

    SciTech Connect (OSTI)

    Ruyer, C. Gremillet, L. Debayle, A.; Bonnaud, G.

    2015-03-15

    We present a predictive model of the nonlinear phase of the Weibel instability induced by two symmetric, counter-streaming ion beams in the non-relativistic regime. This self-consistent model combines the quasilinear kinetic theory of Davidson et al. [Phys. Fluids 15, 317 (1972)] with a simple description of current filament coalescence. It allows us to follow the evolution of the ion parameters up to a stage close to complete isotropization, and is thus of prime interest to understand the dynamics of collisionless shock formation. Its predictions are supported by 2-D and 3-D particle-in-cell simulations of the ion Weibel instability. The derived approximate analytical solutions reveal the various dependencies of the ion relaxation to isotropy. In particular, it is found that the influence of the electron screening can affect the results of simulations using an unphysical electron mass.

  12. Influence of myelin proteins on the structure and dynamics of a model membrane with emphasis on the low temperature regime

    SciTech Connect (OSTI)

    Knoll, W.; Peters, J.; Kursula, P.; Gerelli, Y.; Natali, F.

    2014-11-28

    Myelin is an insulating, multi-lamellar membrane structure wrapped around selected nerve axons. Increasing the speed of nerve impulses, it is crucial for the proper functioning of the vertebrate nervous system. Human neurodegenerative diseases, such as multiple sclerosis, are linked to damage to the myelin sheath through demyelination. Myelin exhibits a well defined subset of myelin-specific proteins, whose influence on membrane dynamics, i.e., myelin flexibility and stability, has not yet been explored in detail. In a first paper [W. Knoll, J. Peters, P. Kursula, Y. Gerelli, J. Ollivier, B. Demé, M. Telling, E. Kemner, and F. Natali, Soft Matter 10, 519 (2014)] we were able to spotlight, through neutron scattering experiments, the role of peripheral nervous system myelin proteins on membrane stability at room temperature. In particular, the myelin basic protein and peripheral myelin protein 2 were found to synergistically influence the membrane structure while keeping almost unchanged the membrane mobility. Further insight is provided by this work, in which we particularly address the investigation of the membrane flexibility in the low temperature regime. We evidence a different behavior suggesting that the proton dynamics is reduced by the addition of the myelin basic protein accompanied by negligible membrane structural changes. Moreover, we address the importance of correct sample preparation and characterization for the success of the experiment and for the reliability of the obtained results.

  13. Dynamic Modeling of Learning in Emerging Energy Industries: The Example of Advanced Biofuels in the United States; NREL (National Renewable Energy Laboratory)

    SciTech Connect (OSTI)

    Peterson, Steve; Bush, Brian; Vimmerstedt, Laura

    2015-07-19

    This paper (and its supplemental model) presents novel approaches to modeling interactions and related policies among investment, production, and learning in an emerging competitive industry. New biomass-to-biofuels pathways are being developed and commercialized to support goals for U.S. advanced biofuel use, such as those in the Energy Independence and Security Act of 2007. We explore the impact of learning rates and techno-economics in a learning model excerpted from the Biomass Scenario Model (BSM), developed by the U.S. Department of Energy and the National Renewable Energy Laboratory to explore the impact of biofuel policy on the evolution of the biofuels industry. The BSM integrates investment, production, and learning among competing biofuel conversion options that are at different stages of industrial development. We explain the novel methods used to simulate the impact of differing assumptions about mature industry techno-economics and about learning rates while accounting for the different maturity levels of various conversion pathways. A sensitivity study shows that the parameters studied (fixed capital investment, process yield, progress ratios, and pre-commercial investment) exhibit highly interactive effects, and the system, as modeled, tends toward market dominance of a single pathway due to competition and learning dynamics.

  14. Global patterns and controls of soil organic carbon dynamics as simulated by multiple terrestrial biosphere models: Current status and future directions

    SciTech Connect (OSTI)

    Tian, Hanqin; Lu, Chaoqun; Yang, Jia; Banger, Kamaljit; Huntzinger, Deborah N.; Schwalm, Christopher R.; Michalak, Anna M.; Cook, Robert; Ciais, Philippe; Hayes, Daniel; Huang, Maoyi; Ito, Akihiko; Jain, Atul K.; Lei, Huimin; Mao, Jiafu; Pan, Shufen; Post, Wilfred M.; Peng, Shushi; Poulter, Benjamin; Ren, Wei; Ricciuto, Daniel; Schaefer, Kevin; Shi, Xiaoying; Tao, Bo; Wang, Weile; Wei, Yaxing; Yang, Qichun; Zhang, Bowen; Zeng, Ning

    2015-06-05

    Soil is the largest organic carbon (C) pool of terrestrial ecosystems, and C loss from soil accounts for a large proportion of land-atmosphere C exchange. Therefore, a small change in soil organic C (SOC) can affect atmospheric carbon dioxide (CO₂) concentration and climate change. In the past decades, a wide variety of studies have been conducted to quantify global SOC stocks and soil C exchange with the atmosphere through site measurements, inventories, and empirical/process-based modeling. However, these estimates are highly uncertain, and identifying major driving forces controlling soil C dynamics remains a key research challenge. This study has compiled century-long (1901–2010) estimates of SOC storage and heterotrophic respiration (Rh) from 10 terrestrial biosphere models (TBMs) in the Multi-scale Synthesis and Terrestrial Model Intercomparison Project and two observation-based data sets. The 10 TBM ensemble shows that global SOC estimate ranges from 425 to 2111 Pg C (1 Pg = 10¹⁵ g) with a median value of 1158 Pg C in 2010. The models estimate a broad range of Rh from 35 to 69 Pg C yr⁻¹ with a median value of 51 Pg C yr⁻¹ during 2001–2010. The largest uncertainty in SOC stocks exists in the 40–65°N latitude whereas the largest cross-model divergence in Rh are in the tropics. The modeled SOC change during 1901–2010 ranges from –70 Pg C to 86 Pg C, but in some models the SOC change has a different sign from the change of total C stock, implying very different contribution of vegetation and soil pools in determining the terrestrial C budget among models. The model ensemble-estimated mean residence time of SOC shows a reduction of 3.4 years over the past century, which accelerate C cycling through the land biosphere. All the models agreed that climate and land use changes decreased SOC stocks, while elevated atmospheric CO₂ and nitrogen deposition over intact ecosystems increased SOC stocks—even though the responses varied significantly

  15. Global patterns and controls of soil organic carbon dynamics as simulated by multiple terrestrial biosphere models: Current status and future directions

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

    Tian, Hanqin; Lu, Chaoqun; Yang, Jia; Banger, Kamaljit; Huntzinger, Deborah N.; Schwalm, Christopher R.; Michalak, Anna M.; Cook, Robert; Ciais, Philippe; Hayes, Daniel; et al

    2015-06-05

    Soil is the largest organic carbon (C) pool of terrestrial ecosystems, and C loss from soil accounts for a large proportion of land-atmosphere C exchange. Therefore, a small change in soil organic C (SOC) can affect atmospheric carbon dioxide (CO₂) concentration and climate change. In the past decades, a wide variety of studies have been conducted to quantify global SOC stocks and soil C exchange with the atmosphere through site measurements, inventories, and empirical/process-based modeling. However, these estimates are highly uncertain, and identifying major driving forces controlling soil C dynamics remains a key research challenge. This study has compiled century-longmore » (1901–2010) estimates of SOC storage and heterotrophic respiration (Rh) from 10 terrestrial biosphere models (TBMs) in the Multi-scale Synthesis and Terrestrial Model Intercomparison Project and two observation-based data sets. The 10 TBM ensemble shows that global SOC estimate ranges from 425 to 2111 Pg C (1 Pg = 10¹⁵ g) with a median value of 1158 Pg C in 2010. The models estimate a broad range of Rh from 35 to 69 Pg C yr⁻¹ with a median value of 51 Pg C yr⁻¹ during 2001–2010. The largest uncertainty in SOC stocks exists in the 40–65°N latitude whereas the largest cross-model divergence in Rh are in the tropics. The modeled SOC change during 1901–2010 ranges from –70 Pg C to 86 Pg C, but in some models the SOC change has a different sign from the change of total C stock, implying very different contribution of vegetation and soil pools in determining the terrestrial C budget among models. The model ensemble-estimated mean residence time of SOC shows a reduction of 3.4 years over the past century, which accelerate C cycling through the land biosphere. All the models agreed that climate and land use changes decreased SOC stocks, while elevated atmospheric CO₂ and nitrogen deposition over intact ecosystems increased SOC stocks—even though the responses varied

  16. Application of welding science to welding engineering: A lumped parameter gas metal arc welding dynamic process model

    SciTech Connect (OSTI)

    Murray, P.E.; Smartt, H.B.; Johnson, J.A.

    1997-12-31

    We develop a model of the depth of penetration of the weld pool in gas metal arc welding (GMAW) which demonstrates interaction between the arc, filler wire and weld pool. This model is motivated by the observations of Essers and Walter which suggest a relationship between droplet momentum and penetration depth. A model of gas metal arc welding was augmented to include an improved model of mass transfer and a simple model of accelerating droplets in a plasma jet to obtain the mass and momentum of impinging droplets. The force of the droplets and depth of penetration is correlated by a dimensionless linear relation used to predict weld pool depth for a range of values of arc power and contact tip to workpiece distance. Model accuracy is examined by comparing theoretical predictions and experimental measurements of the pool depth obtained from bead on plate welds of carbon steel in an argon rich shielding gas. Moreover, theoretical predictions of pool depth are compared to the results obtained from the heat conduction model due to Christensen et al. which suggest that in some cases the momentum of impinging droplets is a better indicator of the depth of the weld pool and the presence of a deep, narrow penetration.

  17. Texas Panhandle soil-crop-beef food chain for uranium: a dynamic model validated by experimental data

    SciTech Connect (OSTI)

    Wenzel, W.J.; Wallwork-Barber, K.M.; Rodgers, J.C.; Gallegos, A.F.

    1982-01-01

    Long-term simulations of uranium transport in the soil-crop-beef food chain were performed using the BIOTRAN model. Experimental data means from an extensive Pantex beef cattle study are presented. Experimental data were used to validate the computer model. Measurements of uranium in air, soil, water, range grasses, feed, and cattle tissues are compared to simulated uranium output values in these matrices when the BIOTRAN model was set at the measured soil and air values. The simulations agreed well with experimental data even though metabolic details for ruminants and uranium chemical form in the environment remain to be studied.

  18. Vehicle Technologies Office Merit Review 2015: MA3T—Modeling Vehicle Market Dynamics with Consumer Segmentation

    Broader source: Energy.gov [DOE]

    Presentation given by Oak Ridge National Laboratory at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about MA3T—modeling...

  19. Development and Verification of a Computational Fluid Dynamics Model of a Horizontal-Axis Tidal Current Turbine

    SciTech Connect (OSTI)

    Lawson, M. J.; Li, Y.; Sale, D. C.

    2011-10-01

    This paper describes the development of a computational fluid dynamics (CFD) methodology to simulate the hydrodynamics of horizontal-axis tidal current turbines. Qualitative measures of the CFD solutions were independent of the grid resolution. Conversely, quantitative comparisons of the results indicated that the use of coarse computational grids results in an under prediction of the hydrodynamic forces on the turbine blade in comparison to the forces predicted using more resolved grids. For the turbine operating conditions considered in this study, the effect of the computational timestep on the CFD solution was found to be minimal, and the results from steady and transient simulations were in good agreement. Additionally, the CFD results were compared to corresponding blade element momentum method calculations and reasonable agreement was shown. Nevertheless, we expect that for other turbine operating conditions, where the flow over the blade is separated, transient simulations will be required.

  20. Model-based statistical estimation of Sandia RF ohmic switch dynamic operation form stroboscopic, x-ray imaging.

    SciTech Connect (OSTI)

    Diegert, Carl F.

    2006-12-01

    We define a new diagnostic method where computationally-intensive numerical solutions are used as an integral part of making difficult, non-contact, nanometer-scale measurements. The limited scope of this report comprises most of a due diligence investigation into implementing the new diagnostic for measuring dynamic operation of Sandia's RF Ohmic Switch. Our results are all positive, providing insight into how this switch deforms during normal operation. Future work should contribute important measurements on a variety of operating MEMS devices, with insights that are complimentary to those from measurements made using interferometry and laser Doppler methods. More generally, the work opens up a broad front of possibility where exploiting massive high-performance computers enable new measurements.

  1. A direct numerical simulation-based investigation and modeling of pressure Hessian effects on compressible velocity gradient dynamics

    SciTech Connect (OSTI)

    Danish, Mohammad Suman, Sawan Srinivasan, Balaji

    2014-12-15

    The pressure Hessian tensor plays a key role in shaping the behavior of the velocity gradient tensor, and in turn, that of many incumbent non-linear processes in a turbulent flow field. In compressible flows, the role of pressure Hessian is even more important because it represents the level of fluid-thermodynamic coupling existing in the flow field. In this work, we first perform a direct numerical simulation-based study to clearly identify, isolate, and understand various important inviscid mechanisms that govern the evolution of the pressure Hessian tensor in compressible turbulence. The ensuing understanding is then employed to introduce major improvements to the existing Lagrangian model of the pressure Hessian tensor (the enhanced Homogenized Euler equation or EHEE) in terms of (i) non-symmetric, non-isentropic effects and (ii) improved representation of the anisotropic portion of the pressure Hessian tensor. Finally, we evaluate the new model extensively by comparing the new model results against known turbulence behavior over a range of Reynolds and Mach numbers. Indeed, the new model shows much improved performance as compared to the EHEE model.

  2. Three-dimensional fully-coupled electrical and thermal transport model of dynamic switching in oxide memristors

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

    Gao, Xujiao; Mamaluy, Denis; Mickel, Patrick R.; Marinella, Matthew

    2015-09-08

    In this paper, we present a fully-coupled electrical and thermal transport model for oxide memristors that solves simultaneously the time-dependent continuity equations for all relevant carriers, together with the time-dependent heat equation including Joule heating sources. The model captures all the important processes that drive memristive switching and is applicable to simulate switching behavior in a wide range of oxide memristors. The model is applied to simulate the ON switching in a 3D filamentary TaOx memristor. Simulation results show that, for uniform vacancy density in the OFF state, vacancies fill in the conduction filament till saturation, and then fill outmore » a gap formed in the Ta electrode during ON switching; furthermore, ON-switching time strongly depends on applied voltage and the ON-to-OFF current ratio is sensitive to the filament vacancy density in the OFF state.« less

  3. Three-dimensional fully-coupled electrical and thermal transport model of dynamic switching in oxide memristors

    SciTech Connect (OSTI)

    Gao, Xujiao; Mamaluy, Denis; Mickel, Patrick R.; Marinella, Matthew

    2015-09-08

    In this paper, we present a fully-coupled electrical and thermal transport model for oxide memristors that solves simultaneously the time-dependent continuity equations for all relevant carriers, together with the time-dependent heat equation including Joule heating sources. The model captures all the important processes that drive memristive switching and is applicable to simulate switching behavior in a wide range of oxide memristors. The model is applied to simulate the ON switching in a 3D filamentary TaOx memristor. Simulation results show that, for uniform vacancy density in the OFF state, vacancies fill in the conduction filament till saturation, and then fill out a gap formed in the Ta electrode during ON switching; furthermore, ON-switching time strongly depends on applied voltage and the ON-to-OFF current ratio is sensitive to the filament vacancy density in the OFF state.

  4. Developing Fully Coupled Dynamical Reactor Core Isolation System Models in RELAP-7 for Extended Station Black-Out Analysis

    SciTech Connect (OSTI)

    Haihua Zhao; Ling Zou; Hongbin Zhang; David Andrs; Richard Martineau

    2014-04-01

    The reactor core isolation cooling (RCIC) system in a boiling water reactor (BWR) provides makeup water to the reactor vessel for core cooling when the main steam lines are isolated and the normal supply of water to the reactor vessel is lost. It was one of the very few safety systems still available during the Fukushima Daiichi accidents after the tsunamis hit the plants and the system successfully delayed the core meltdown for a few days for unit 2 & 3. Therefore, detailed models for RCIC system components are indispensable to understand extended station black-out accidents (SBO) for BWRs. As part of the effort to develop the new generation reactor system safety analysis code RELAP-7, major components to simulate the RCIC system have been developed. This paper describes the models for those components such as turbine, pump, and wet well. Selected individual component test simulations and a simplified SBO simulation up to but before core damage is presented. The successful implementation of the simplified RCIC and wet well models paves the way to further improve the models for safety analysis by including more detailed physical processes in the near future.

  5. Development and Verification of a Computational Fluid Dynamics Model of a Horizontal-Axis Tidal Current Turbine

    SciTech Connect (OSTI)

    Lawson, Mi. J.; Li, Y.; Sale, D. C.

    2011-01-01

    This paper describes the development of a computational fluid dynamics (CFD) methodology to simulate the hydrodynamics of horizontal-axis tidal current turbines (HATTs). First, an HATT blade was designed using the blade element momentum method in conjunction with a genetic optimization algorithm. Several unstructured computational grids were generated using this blade geometry and steady CFD simulations were used to perform a grid resolution study. Transient simulations were then performed to determine the effect of time-dependent flow phenomena and the size of the computational timestep on the numerical solution. Qualitative measures of the CFD solutions were independent of the grid resolution. Conversely, quantitative comparisons of the results indicated that the use of coarse computational grids results in an under prediction of the hydrodynamic forces on the turbine blade in comparison to the forces predicted using more resolved grids. For the turbine operating conditions considered in this study, the effect of the computational timestep on the CFD solution was found to be minimal, and the results from steady and transient simulations were in good agreement. Additionally, the CFD results were compared to corresponding blade element momentum method calculations and reasonable agreement was shown. Nevertheless, we expect that for other turbine operating conditions, where the flow over the blade is separated, transient simulations will be required.

  6. One-dimensional numerical fluid dynamics model of the spreading of liquefied gaseous fuel (LGF) on water

    SciTech Connect (OSTI)

    Stein, W.; Ermak, D.L.

    1980-11-04

    A computer model has been developed to simulate the spreading of an evaporating liquefied gaseous fuel that has been spilled on the surface of a denser liquid. This would correspond, for example, to the spreading of liquefied natural gas spilled onto water. The model is based on the one-dimensional, time-dependent equations of conservation of mass and momentum, with the assumption that the pool of liquid fuel spreads in a radially symmetric manner. It includes the effects of vaporization, shear at the fuel-liquid interface, and buoyancy due to the density difference between the fuel and the liquid onto which it is spilled. Both instantaneous and continuous spills of finite volume are treated. The height and spreading velocity of the pool of spilled fuel are calculated as functions of time and radius by numerically solving the conservation equations with a finite difference method. Output of the calculations is presented in both tabular and graphical form.

  7. One-dimensional numerical fluid dynamics model of the spreading of liquefied gaseous fuel (LGF) on water

    SciTech Connect (OSTI)

    Stein, W.; Ermak, D.L.

    1981-01-01

    A computer model has been developed to simulate the spreading of an evaporating liquefied gaseous fuel that has been spilled on the surface of a denser liquid. This would correspond, for example, to the spreading of liquefied natural gas spilled onto water. The model is based on the one-dimensional, time-dependent equations of conservation of mass and momentum, with the assumption that the pool of liquid fuel spreads in a radially symmetric manner. It includes the effects of vaporization, shear at the fuel-liquid interface, and buoyancy due to the density difference between the fuel and the liquid onto which it is spilled. Both instantaneous and continuous spills of finite volume are treated. The height and spreading velocity of the pool of spilled fuel are calculated as functions of time and radius by numerically solving the conservation equations with a finite difference method.Output of the calculations is presented in both tabular and graphical form.

  8. OBSERVATIONS AND MODELING OF THE EMERGING EXTREME-ULTRAVIOLET LOOPS IN THE QUIET SUN AS SEEN WITH THE SOLAR DYNAMICS OBSERVATORY

    SciTech Connect (OSTI)

    Chitta, L. P.; Van Ballegooijen, A. A.; DeLuca, E. E.; Kariyappa, R.; Hasan, S. S.; Hanslmeier, A.

    2013-05-01

    We used data from the Helioseismic and Magnetic Imager (HMI) and the Atmospheric Imaging Assembly (AIA) on the Solar Dynamics Observatory (SDO) to study coronal loops at small scales, emerging in the quiet Sun. With HMI line-of-sight magnetograms, we derive the integrated and unsigned photospheric magnetic flux at the loop footpoints in the photosphere. These loops are bright in the EUV channels of AIA. Using the six AIA EUV filters, we construct the differential emission measure (DEM) in the temperature range 5.7-6.5 in log T (K) for several hours of observations. The observed DEMs have a peak distribution around log T Almost-Equal-To 6.3, falling rapidly at higher temperatures. For log T < 6.3, DEMs are comparable to their peak values within an order of magnitude. The emission-weighted temperature is calculated, and its time variations are compared with those of magnetic flux. We present two possibilities for explaining the observed DEMs and temperatures variations. (1) Assuming that the observed loops are composed of a hundred thin strands with certain radius and length, we tested three time-dependent heating models and compared the resulting DEMs and temperatures with the observed quantities. This modeling used enthalpy-based thermal evolution of loops (EBTEL), a zero-dimensional (0D) hydrodynamic code. The comparisons suggest that a medium-frequency heating model with a population of different heating amplitudes can roughly reproduce the observations. (2) We also consider a loop model with steady heating and non-uniform cross-section of the loop along its length, and find that this model can also reproduce the observed DEMs, provided the loop expansion factor {gamma} {approx} 5-10. More observational constraints are required to better understand the nature of coronal heating in the short emerging loops on the quiet Sun.

  9. Verification of voltage/frequency requirement for emergency diesel generator in nuclear power plant using dynamic modeling

    SciTech Connect (OSTI)

    Hur, Jin-Suk; Roh, Myung- Sub

    2014-02-12

    One major cause of the plant shutdown is the loss of electrical power. The study is to comprehend the coping action against station blackout including emergency diesel generator, sequential loading of safety system and to ensure that the emergency diesel generator should meet requirements, especially voltage and frequency criteria using modeling tool. This paper also considered the change of the sequencing time and load capacity only for finding electrical design margin. However, the revision of load list must be verified with safety analysis. From this study, it is discovered that new load calculation is a key factor in EDG localization and in-house capability increase.

  10. A reduced order modeling approach to represent subgrid-scale hydrological dynamics for regional- and climate-scale land-surface simulations: application in a polygonal tundra landscape

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

    Pau, G. S. H.; Bisht, G.; Riley, W. J.

    2014-04-04

    Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO2, CH4) exchanges with the atmosphere range from molecular scale (pore-scale O2 consumption) to tens of kilometer scale (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e.g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a particular reduced-order modeling (ROM) technique known as "Proper Orthogonal Decomposition mapping method" that reconstructs temporally-resolvedmore » fine-resolution solutions based on coarse-resolution solutions. We applied this technique to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface-subsurface isothermal simulations were performed for summer months (June–September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998–2000) to build ROMs of the 4-D soil moisture field for the four study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 103) with very small relative approximation error (< 0.1%) for two validation years not used in training the ROM. We also demonstrated that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training dataset with relatively good accuracy (< 1.5% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. This method has the potential to efficiently increase the resolution of land models for coupled climate simulations, allowing LSMs to be used at spatial scales consistent with

  11. A reduced-order modeling approach to represent subgrid-scale hydrological dynamics for land-surface simulations: application in a polygonal tundra landscape

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

    Pau, G. S. H.; Bisht, G.; Riley, W. J.

    2014-09-17

    Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO2, CH4) exchanges with the atmosphere range from the molecular scale (pore-scale O2 consumption) to tens of kilometers (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e.g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a reduced-order modeling (ROM) technique known as "proper orthogonal decomposition mapping method" that reconstructs temporally resolvedmore » fine-resolution solutions based on coarse-resolution solutions. We developed four different methods and applied them to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface–subsurface isothermal simulations were performed for summer months (June–September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998–2000) to build ROMs of the 4-D soil moisture field for the study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 103) with very small relative approximation error (< 0.1%) for 2 validation years not used in training the ROM. We also demonstrate that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training data set with relatively good accuracy (< 1.7% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. By coupling the ROMs constructed at different scales together hierarchically, this method has the potential to efficiently increase the resolution of land models for coupled

  12. A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

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

    Zeng, Y.; Hunter, A.; Beyerlein, I. J.; Koslowski, M.

    2015-09-14

    In this study, we present a phase field dislocation dynamics formulation designed to treat a system comprised of two materials differing in moduli and lattice parameters that meet at a common interface. We apply the model to calculate the critical stress τcrit required to transmit a perfect dislocation across the bimaterial interface with a cube-on-cube orientation relationship. The calculation of τcrit accounts for the effects of: 1) the lattice mismatch (misfit or coherency stresses), 2) the elastic moduli mismatch (Koehler forces or image stresses), and 3) the formation of the residual dislocation in the interface. Our results show that themore » value of τcrit associated with the transmission of a dislocation from material 1 to material 2 is not the same as that from material 2 to material 1. Dislocation transmission from the material with the lower shear modulus and larger lattice parameter tends to be easier than the reverse and this apparent asymmetry in τcrit generally increases with increases in either lattice or moduli mismatch or both. In efforts to clarify the roles of lattice and moduli mismatch, we construct an analytical model for τcrit based on the formation energy of the residual dislocation. We show that path dependence in this energetic barrier can explain the asymmetry seen in the calculated τcrit values.« less

  13. A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

    SciTech Connect (OSTI)

    Zeng, Y.; Hunter, A.; Beyerlein, I. J.; Koslowski, M.

    2015-09-14

    In this study, we present a phase field dislocation dynamics formulation designed to treat a system comprised of two materials differing in moduli and lattice parameters that meet at a common interface. We apply the model to calculate the critical stress τcrit required to transmit a perfect dislocation across the bimaterial interface with a cube-on-cube orientation relationship. The calculation of τcrit accounts for the effects of: 1) the lattice mismatch (misfit or coherency stresses), 2) the elastic moduli mismatch (Koehler forces or image stresses), and 3) the formation of the residual dislocation in the interface. Our results show that the value of τcrit associated with the transmission of a dislocation from material 1 to material 2 is not the same as that from material 2 to material 1. Dislocation transmission from the material with the lower shear modulus and larger lattice parameter tends to be easier than the reverse and this apparent asymmetry in τcrit generally increases with increases in either lattice or moduli mismatch or both. In efforts to clarify the roles of lattice and moduli mismatch, we construct an analytical model for τcrit based on the formation energy of the residual dislocation. We show that path dependence in this energetic barrier can explain the asymmetry seen in the calculated τcrit values.

  14. SU-E-QI-03: Compartment Modeling of Dynamic Brain PET - The Effect of Scatter and Random Corrections On Parameter Errors

    SciTech Connect (OSTI)

    Häggström, I; Karlsson, M; Larsson, A; Schmidtlein, C

    2014-06-15

    Purpose: To investigate the effects of corrections for random and scattered coincidences on kinetic parameters in brain tumors, by using ten Monte Carlo (MC) simulated dynamic FLT-PET brain scans. Methods: The GATE MC software was used to simulate ten repetitions of a 1 hour dynamic FLT-PET scan of a voxelized head phantom. The phantom comprised six normal head tissues, plus inserted regions for blood and tumor tissue. Different time-activity-curves (TACs) for all eight tissue types were used in the simulation and were generated in Matlab using a 2-tissue model with preset parameter values (K1,k2,k3,k4,Va,Ki). The PET data was reconstructed into 28 frames by both ordered-subset expectation maximization (OSEM) and 3D filtered back-projection (3DFBP). Five image sets were reconstructed, all with normalization and different additional corrections C (A=attenuation, R=random, S=scatter): Trues (AC), trues+randoms (ARC), trues+scatters (ASC), total counts (ARSC) and total counts (AC). Corrections for randoms and scatters were based on real random and scatter sinograms that were back-projected, blurred and then forward projected and scaled to match the real counts. Weighted non-linearleast- squares fitting of TACs from the blood and tumor regions was used to obtain parameter estimates. Results: The bias was not significantly different for trues (AC), trues+randoms (ARC), trues+scatters (ASC) and total counts (ARSC) for either 3DFBP or OSEM (p<0.05). Total counts with only AC stood out however, with an up to 160% larger bias. In general, there was no difference in bias found between 3DFBP and OSEM, except in parameter Va and Ki. Conclusion: According to our results, the methodology of correcting the PET data for randoms and scatters performed well for the dynamic images where frames have much lower counts compared to static images. Generally, no bias was introduced by the corrections and their importance was emphasized since omitting them increased bias extensively.

  15. CFD [computational fluid dynamics] And Safety Factors. Computer modeling of complex processes needs old-fashioned experiments to stay in touch with reality.

    SciTech Connect (OSTI)

    Leishear, Robert A.; Lee, Si Y.; Poirier, Michael R.; Steeper, Timothy J.; Ervin, Robert C.; Giddings, Billy J.; Stefanko, David B.; Harp, Keith D.; Fowley, Mark D.; Van Pelt, William B.

    2012-10-07

    Computational fluid dynamics (CFD) is recognized as a powerful engineering tool. That is, CFD has advanced over the years to the point where it can now give us deep insight into the analysis of very complex processes. There is a danger, though, that an engineer can place too much confidence in a simulation. If a user is not careful, it is easy to believe that if you plug in the numbers, the answer comes out, and you are done. This assumption can lead to significant errors. As we discovered in the course of a study on behalf of the Department of Energy's Savannah River Site in South Carolina, CFD models fail to capture some of the large variations inherent in complex processes. These variations, or scatter, in experimental data emerge from physical tests and are inadequately captured or expressed by calculated mean values for a process. This anomaly between experiment and theory can lead to serious errors in engineering analysis and design unless a correction factor, or safety factor, is experimentally validated. For this study, blending times for the mixing of salt solutions in large storage tanks were the process of concern under investigation. This study focused on the blending processes needed to mix salt solutions to ensure homogeneity within waste tanks, where homogeneity is required to control radioactivity levels during subsequent processing. Two of the requirements for this task were to determine the minimum number of submerged, centrifugal pumps required to blend the salt mixtures in a full-scale tank in half a day or less, and to recommend reasonable blending times to achieve nearly homogeneous salt mixtures. A full-scale, low-flow pump with a total discharge flow rate of 500 to 800 gpm was recommended with two opposing 2.27-inch diameter nozzles. To make this recommendation, both experimental and CFD modeling were performed. Lab researchers found that, although CFD provided good estimates of an average blending time, experimental blending times varied

  16. Cyber Dynamic Impact Modeling Engine

    Energy Science and Technology Software Center (OSTI)

    2014-07-01

    As the rate, sophistication, and potential damage of cyber attacks continue to grow, the latency of human-speed analysis and response is becoming increasingly costly. Intelligent response to detected attacks and other malicious activity requires both knowledge of the characteristics of the attack as well as how resources involved in the attack related to the mission of the organization. Cydime fills this need by estimating a key component of intrusion detection and response automation: the relationshipmore » type and strength between the target organization and the potential attacker.« less

  17. Accelerating population balance-Monte Carlo simulation for coagulation dynamics from the Markov jump model, stochastic algorithm and GPU parallel computing

    SciTech Connect (OSTI)

    Xu, Zuwei; Zhao, Haibo Zheng, Chuguang

    2015-01-15

    This paper proposes a comprehensive framework for accelerating population balance-Monte Carlo (PBMC) simulation of particle coagulation dynamics. By combining Markov jump model, weighted majorant kernel and GPU (graphics processing unit) parallel computing, a significant gain in computational efficiency is achieved. The Markov jump model constructs a coagulation-rule matrix of differentially-weighted simulation particles, so as to capture the time evolution of particle size distribution with low statistical noise over the full size range and as far as possible to reduce the number of time loopings. Here three coagulation rules are highlighted and it is found that constructing appropriate coagulation rule provides a route to attain the compromise between accuracy and cost of PBMC methods. Further, in order to avoid double looping over all simulation particles when considering the two-particle events (typically, particle coagulation), the weighted majorant kernel is introduced to estimate the maximum coagulation rates being used for acceptance–rejection processes by single-looping over all particles, and meanwhile the mean time-step of coagulation event is estimated by summing the coagulation kernels of rejected and accepted particle pairs. The computational load of these fast differentially-weighted PBMC simulations (based on the Markov jump model) is reduced greatly to be proportional to the number of simulation particles in a zero-dimensional system (single cell). Finally, for a spatially inhomogeneous multi-dimensional (multi-cell) simulation, the proposed fast PBMC is performed in each cell, and multiple cells are parallel processed by multi-cores on a GPU that can implement the massively threaded data-parallel tasks to obtain remarkable speedup ratio (comparing with CPU computation, the speedup ratio of GPU parallel computing is as high as 200 in a case of 100 cells with 10 000 simulation particles per cell). These accelerating approaches of PBMC are

  18. Biomass Scenario Model

    SciTech Connect (OSTI)

    2015-09-01

    The Biomass Scenario Model (BSM) is a unique, carefully validated, state-of-the-art dynamic model of the domestic biofuels supply chain which explicitly focuses on policy issues, their feasibility, and potential side effects. It integrates resource availability, physical/technological/economic constraints, behavior, and policy. The model uses a system dynamics simulation (not optimization) to model dynamic interactions across the supply chain.

  19. Magnetic resonance imaging and computational fluid dynamics (CFD) simulations of rabbit nasal airflows for the development of hybrid CFD/PBPK models

    SciTech Connect (OSTI)

    Corley, Richard A.; Minard, Kevin R.; Kabilan, Senthil; Einstein, Daniel R.; Kuprat, Andrew P.; harkema, J. R.; Kimbell, Julia; Gargas, M. L.; Kinzell, John H.

    2009-06-01

    The percentages of total air?ows over the nasal respiratory and olfactory epithelium of female rabbits were cal-culated from computational ?uid dynamics (CFD) simulations of steady-state inhalation. These air?ow calcula-tions, along with nasal airway geometry determinations, are critical parameters for hybrid CFD/physiologically based pharmacokinetic models that describe the nasal dosimetry of water-soluble or reactive gases and vapors in rabbits. CFD simulations were based upon three-dimensional computational meshes derived from magnetic resonance images of three adult female New Zealand White (NZW) rabbits. In the anterior portion of the nose, the maxillary turbinates of rabbits are considerably more complex than comparable regions in rats, mice, mon-keys, or humans. This leads to a greater surface area to volume ratio in this region and thus the potential for increased extraction of water soluble or reactive gases and vapors in the anterior portion of the nose compared to many other species. Although there was considerable interanimal variability in the ?ne structures of the nasal turbinates and air?ows in the anterior portions of the nose, there was remarkable consistency between rabbits in the percentage of total inspired air?ows that reached the ethmoid turbinate region (~50%) that is presumably lined with olfactory epithelium. These latter results (air?ows reaching the ethmoid turbinate region) were higher than previous published estimates for the male F344 rat (19%) and human (7%). These di?erences in regional air?ows can have signi?cant implications in interspecies extrapolations of nasal dosimetry.

  20. Substructured multibody molecular dynamics.

    SciTech Connect (OSTI)

    Grest, Gary Stephen; Stevens, Mark Jackson; Plimpton, Steven James; Woolf, Thomas B. (Johns Hopkins University, Baltimore, MD); Lehoucq, Richard B.; Crozier, Paul Stewart; Ismail, Ahmed E.; Mukherjee, Rudranarayan M. (Rensselaer Polytechnic Institute, Troy, NY); Draganescu, Andrei I.

    2006-11-01

    We have enhanced our parallel molecular dynamics (MD) simulation software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator, lammps.sandia.gov) to include many new features for accelerated simulation including articulated rigid body dynamics via coupling to the Rensselaer Polytechnic Institute code POEMS (Parallelizable Open-source Efficient Multibody Software). We use new features of the LAMMPS software package to investigate rhodopsin photoisomerization, and water model surface tension and capillary waves at the vapor-liquid interface. Finally, we motivate the recipes of MD for practitioners and researchers in numerical analysis and computational mechanics.

  1. Site-specific dissociation dynamics of H{sub 2}/D{sub 2} on Ag(111) and Co(0001) and the validity of the site-averaging model

    SciTech Connect (OSTI)

    Hu, Xixi; Jiang, Bin; Xie, Daiqian E-mail: hguo@unm.edu; Guo, Hua E-mail: hguo@unm.edu

    2015-09-21

    Dissociative chemisorption of polyatomic molecules on metal surfaces involves high-dimensional dynamics, of which quantum mechanical treatments are computationally challenging. A promising reduced-dimensional approach approximates the full-dimensional dynamics by a weighted average of fixed-site results. To examine the performance of this site-averaging model, we investigate two distinct reactions, namely, hydrogen dissociation on Co(0001) and Ag(111), using accurate first principles potential energy surfaces (PESs). The former has a very low barrier of ∼0.05 eV while the latter is highly activated with a barrier of ∼1.15 eV. These two systems allow the investigation of not only site-specific dynamical behaviors but also the validity of the site-averaging model. It is found that the reactivity is not only controlled by the barrier height but also by the topography of the PES. Moreover, the agreement between the site-averaged and full-dimensional results is much better on Ag(111), though quantitative in neither system. Further quasi-classical trajectory calculations showed that the deviations can be attributed to dynamical steering effects, which are present in both reactions at all energies.

  2. HAWT performance with dynamic stall

    SciTech Connect (OSTI)

    Hibbs, B.D.

    1986-02-01

    In this report we calculated the effects of flow nonuniformities (wing shear, tower wake, yaw, and large-scale turbulence) on the performance of a horizontal axis wind turbine, accounting for dynamic stall. We modified the PROP program to incorporate and compare these effects with the uniform flow case. The MIT model, which predicts dynamic lift coefficients substantially higher than the static maximum values and includes a crude model of the vortex roll-off phenomenon, represented dynamic stall. As associated model for drag was also used. The dynamic stall model was tested against experimental data for three typical reduced frequencies. Good instantaneous correlation was obtained. The effects of nonuniformities with and without the dynamic stall were calculated using the Westinghouse Mod O and Enertech 44/25 turbines. Modeling the dynamic stall has little effect on performance. Furthermore, the performance with nonuniform flow differed only slightly from the uniform flow case. Thus the now PROP model provides a powerful general capability to handle nonuniform flows.

  3. Combined statistical and dynamical assessment of simulatedvegetation...

    Office of Scientific and Technical Information (OSTI)

    feedback of vegetation cover on subsequent annual precipitation is simulated for the mid-Holocene over North Africa using a fully coupled general circulation model with dynamic ...

  4. Photodissociation Dynamics

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

    Photodissociation Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced

  5. Dynamical impurity problems

    SciTech Connect (OSTI)

    Emery, V.J.; Kivelson, S.A.

    1993-12-31

    In the past few years there has been a resurgence of interest in dynamical impurity problems, as a result of developments in the theory of correlated electron systems. The general dynamical impurity problem is a set of conduction electrons interacting with an impurity which has internal degrees of freedom. The simplest and earliest example, the Kondo problem, has attracted interest since the mid-sixties not only because of its physical importance but also as an example of a model displaying logarithmic divergences order by order in perturbation theory. It provided one of the earliest applications of the renormalization group method, which is designed to deal with just such a situation. As we shall see, the antiferromagnetic Kondo model is controlled by a strong-coupling fixed point, and the essence of the renormalization group solution is to carry out the global renormalization numerically starting from the original (weak-coupling) Hamiltonian. In these lectures, we shall describe an alternative route in which we identify an exactly solvable model which renormalizes to the same fixed point as the original dynamical impurity problem. This approach is akin to determining the critical behavior at a second order phase transition point by solving any model in a given universality class.

  6. Modeling

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

    Modeling & Analysis, News, News & Events, Photovoltaic, Renewable Energy, Research & Capabilities, Solar, Solar Newsletter, SunShot, Systems Analysis Sandia Develops Stochastic ...

  7. Modeling

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

    Monte Carlo modeling it was found that for noisy signals with a significant background component, accuracy is improved by fitting the total emission data which includes the...

  8. Modeling

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

    Solar Sandia Labs Releases New Version of PVLib Toolbox Sandia has released version 1.3 of PVLib, its widely used Matlab toolbox for modeling photovoltaic (PV) power ...

  9. Modeling

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

    ... Sandia Will Host PV Bankability Workshop at Solar Power International (SPI) 2013 Computational Modeling & Simulation, Distribution Grid Integration, Energy, Facilities, Grid ...

  10. Modeling

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

    Science and Actuarial Practice" Read More Permalink New Project Is the ACME of Computer Science to Address Climate Change Analysis, Climate, Global Climate & Energy, Modeling, ...

  11. Modeling

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

    Though adequate for modeling mean transport, this approach does not address ... Microphysics such as diffusive transport and chemical kinetics are represented by ...

  12. Final report for DOE Award # DE- SC0010039*: Carbon dynamics of forest recovery under a changing climate: Forcings, feedbacks, and implications for earth system modeling

    SciTech Connect (OSTI)

    Anderson-Teixeira, Kristina J.; DeLucia, Evan H.; Duval, Benjamin D.

    2015-10-29

    To advance understanding of C dynamics of forests globally, we compiled a new database, the Forest C database (ForC-db), which contains data on ground-based measurements of ecosystem-level C stocks and annual fluxes along with disturbance history. This database currently contains 18,791 records from 2009 sites, making it the largest and most comprehensive database of C stocks and flows in forest ecosystems globally. The tropical component of the database will be published in conjunction with a manuscript that is currently under review (Anderson-Teixeira et al., in review). Database development continues, and we hope to maintain a dynamic instance of the entire (global) database.

  13. Photodissociation Dynamics

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

    Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing ... Heavy Duty Fuels DISI Combustion HCCISCCI Fundamentals Spray Combustion Modeling ...

  14. Scattering Dynamics

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

    Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing ... Heavy Duty Fuels DISI Combustion HCCISCCI Fundamentals Spray Combustion Modeling ...

  15. Chemical Dynamics

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

    Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing ... Heavy Duty Fuels DISI Combustion HCCISCCI Fundamentals Spray Combustion Modeling ...

  16. Scattering Dynamics

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

    Scattering Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced Nuclear

  17. Modeling

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

    with application in modeling NDCX-II experiments Wangyi Liu 1 , John Barnard 2 , Alex Friedman 2 , Nathan Masters 2 , Aaron Fisher 2 , Alice Koniges 2 , David Eder 2 1 LBNL, USA, 2...

  18. Modeling

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

    NASA Earth at Night Video EC, Energy, Energy Efficiency, Global, Modeling, News & Events, Solid-State Lighting, Videos NASA Earth at Night Video Have you ever wondered what the ...

  19. Intrinsic transverse momentum and dynamical chiral symmetry breaking...

    Office of Scientific and Technical Information (OSTI)

    Using an effective dynamical model based on chiral constituent quark degrees of freedom and the 1Nc expansion (chiral quark-soliton model), we calculate the transverse momentum ...

  20. Dynamical symmetries in nuclear structure

    SciTech Connect (OSTI)

    Casten, R.F.

    1986-01-01

    In recent years the concept of dynamical symmetries in nuclei has witnessed a renaissance of interest and activity. Much of this work has been developed in the context of the Interacting Boson Approximation (or IBA) model. The appearance and properties of dynamical symmetries in nuclei will be reviewed, with emphasis on their characteristic signatures and on the role of the proton-neutron interaction in their formation, systematics and evolution. 36 refs., 20 figs.

  1. Communication: Ro-vibrational control of chemical reactivity in H+CH{sub 4}→ H{sub 2}+CH{sub 3} : Full-dimensional quantum dynamics calculations and a sudden model

    SciTech Connect (OSTI)

    Welsch, Ralph Manthe, Uwe

    2014-08-07

    The mode-selective chemistry of the title reaction is studied by full-dimensional quantum dynamics simulation on an accurate ab initio potential energy surface for vanishing total angular momentum. Using a rigorous transition state based approach and multi-configurational time-dependent Hartree wave packet propagation, initial state-selected reaction probabilities for many ro-vibrational states of methane are calculated. The theoretical results are compared with experimental trends seen in reactions of methane. An intuitive interpretation of the ro-vibrational control of the chemical reactivity provided by a sudden model based on the quantum transition state concept is discussed.

  2. A comparison of the lattice discrete particle method to the finite-element method and the K&C material model for simulating the static and dynamic response of concrete.

    SciTech Connect (OSTI)

    Smith, Jovanca J.; Bishop, Joseph E.

    2013-11-01

    This report summarizes the work performed by the graduate student Jovanca Smith during a summer internship in the summer of 2012 with the aid of mentor Joe Bishop. The projects were a two-part endeavor that focused on the use of the numerical model called the Lattice Discrete Particle Model (LDPM). The LDPM is a discrete meso-scale model currently used at Northwestern University and the ERDC to model the heterogeneous quasi-brittle material, concrete. In the first part of the project, LDPM was compared to the Karagozian and Case Concrete Model (K&C) used in Presto, an explicit dynamics finite-element code, developed at Sandia National Laboratories. In order to make this comparison, a series of quasi-static numerical experiments were performed, namely unconfined uniaxial compression tests on four varied cube specimen sizes, three-point bending notched experiments on three proportional specimen sizes, and six triaxial compression tests on a cylindrical specimen. The second part of this project focused on the application of LDPM to simulate projectile perforation on an ultra high performance concrete called CORTUF. This application illustrates the strengths of LDPM over traditional continuum models.

  3. Comparison of Hydrodynamic Load Predictions Between Engineering Models and Computational Fluid Dynamics for the OC4-DeepCwind Semi-Submersible: Preprint

    SciTech Connect (OSTI)

    Benitz, M. A.; Schmidt, D. P.; Lackner, M. A.; Stewart, G. M.; Jonkman, J.; Robertson, A.

    2014-09-01

    Hydrodynamic loads on the platforms of floating offshore wind turbines are often predicted with computer-aided engineering tools that employ Morison's equation and/or potential-flow theory. This work compares results from one such tool, FAST, NREL's wind turbine computer-aided engineering tool, and the computational fluid dynamics package, OpenFOAM, for the OC4-DeepCwind semi-submersible analyzed in the International Energy Agency Wind Task 30 project. Load predictions from HydroDyn, the offshore hydrodynamics module of FAST, are compared with high-fidelity results from OpenFOAM. HydroDyn uses a combination of Morison's equations and potential flow to predict the hydrodynamic forces on the structure. The implications of the assumptions in HydroDyn are evaluated based on this code-to-code comparison.

  4. Global patterns and controls of soil organic carbon dynamics as simulated by multiple terrestrial biosphere models. Current status and future directions

    SciTech Connect (OSTI)

    Tian, Hanqin; Lu, Chaoqun; Yang, Jia; Banger, Kamaljit; Huntzinger, Deborah N.; Schwalm, Christopher R.; Michalak, A. M.; Cook, Robert B.; Ciais, Philippe; Hayes, Daniel J.; Huang, Maoyi; Ito, Akihiko; Jain, Atul K.; Lei, Huimin; Mao, Jiafu; Pan, Shufen; Post, W. M.; Peng, Shushi; Poulter, Benjamin; Ren, Wei; Ricciuto, Daniel M.; Schaefer, Kevin; Shi, Xiaoying; Tao, Bo; Wang, Weile; Wei, Yaxing; Yang, Qichun; Zhang, Bowen; Zeng, Ning

    2015-06-05

    Soil is the largest organic carbon (C) pool of terrestrial ecosystems, and loss from soil accounts for a large pro portion of land-atmosphere C exchange. Due to large pool size and variable residence time from years to millennia, even small changes in soil organic C(SOC) have substantial effects on the terrestrial C budget, thereby affecting atmospheric carbon dioxide (CO2)concentration and climate change. In the past decades, a wide variety of studies have been conducted to quantify global SOC stocks and soil exchange with the atmosphere through site measurements, inventories, and empirical/process-based modeling. However, these estimates are highly uncertain and identifying major driving forces controlling soil C storage and fluxes remains a key research challenge his study has compiled century-long (1901-2010)estimates of SOC storage and heterotrophic respiration (Rh) from ten terrestrial biosphere models (TBMs) in the Multi-scale Synthesis and Terrestrial Model Intercomparison Project (MsTMIP) and two observation based datasets. The ten-TBM ensemble shows that global SOC estimate range from 4 to 2111 Pg C (1 Pg = 1015g) with a median value of 1158 Pg C33 in 2010. Modeling approach estimates a broad range of Rh from 35 to 69 Pg C yr-1 with a median value of 51Pg C yr-1 during 200–2010. The largest uncertainty in SOC stocks exists in the 40–65°N latitude band while Rh differences are the largest in the tropics. All the models agreed that climate and land use changes have decreased SOC stocks while elevated CO2 and atmospheric nitrogen deposition have increased SOC stocks though the response varied significantly among models. Model representations of temperature and moisture sensitivity,nutrient limitation and land use partially explain the divergent estimates of global SOC stocks and soil fluxes in this study. In addition, major sources of uncertainty from model estimation include exclusion of SOC storage in

  5. Electric Drive Dynamic Thermal System Model for Advanced Vehicle Propulsion Technologies: Cooperative Research and Development Final Report, CRADA Number CRD-09-360

    SciTech Connect (OSTI)

    Bennion, K.

    2013-10-01

    Electric drive systems, which include electric machines and power electronics, are a key enabling technology for advanced vehicle propulsion systems that reduce the dependence of the U.S. transportation sector on petroleum. However, to penetrate the market, these electric drive technologies must enable vehicle solutions that are economically viable. The push to make critical electric drivesystems smaller, lighter, and more cost-effective brings respective challenges associated with heat removal and system efficiency. In addition, the wide application of electric drive systems to alternative propulsion technologies ranging from integrated starter generators, to hybrid electric vehicles, to full electric vehicles presents challenges in terms of sizing critical components andthermal management systems over a range of in-use operating conditions. This effort focused on developing a modular modeling methodology to enable multi-scale and multi-physics simulation capabilities leading to generic electric drive system models applicable to alternative vehicle propulsion configurations. The primary benefit for the National Renewable Energy Laboratory (NREL) is the abilityto define operating losses with the respective impact on component sizing, temperature, and thermal management at the component, subsystem, and system level. However, the flexible nature of the model also allows other uses related to evaluating the impacts of alternative component designs or control schemes depending on the interests of other parties.

  6. Dynamic Information Architecture System

    Energy Science and Technology Software Center (OSTI)

    1997-02-12

    The Dynamic Information System (DIAS) is a flexible object-based software framework for concurrent, multidiscplinary modeling of arbitrary (but related) processes. These processes are modeled as interrelated actions caused by and affecting the collection of diverse real-world objects represented in a simulation. The DIAS architecture allows independent process models to work together harmoniously in the same frame of reference and provides a wide range of data ingestion and output capabilities, including Geographic Information System (GIS) typemore » map-based displays and photorealistic visualization of simulations in progress. In the DIAS implementation of the object-based approach, software objects carry within them not only the data which describe their static characteristics, but also the methods, or functions, which describe their dynamic behaviors. There are two categories of objects: (1) Entity objects which have real-world counterparts and are the actors in a simulation, and (2) Software infrastructure objects which make it possible to carry out the simulations. The Entity objects contain lists of Aspect objects, each of which addresses a single aspect of the Entity''s behavior. For example, a DIAS Stream Entity representing a section of a river can have many aspects correspondimg to its behavior in terms of hydrology (as a drainage system component), navigation (as a link in a waterborne transportation system), meteorology (in terms of moisture, heat, and momentum exchange with the atmospheric boundary layer), and visualization (for photorealistic visualization or map type displays), etc. This makes it possible for each real-world object to exhibit any or all of its unique behaviors within the context of a single simulation.« less

  7. Dynamic Fracture Simulations of Explosively Loaded Cylinders

    SciTech Connect (OSTI)

    Arthur, Carly W.; Goto, D. M.

    2015-11-30

    This report documents the modeling results of high explosive experiments investigating dynamic fracture of steel (AerMet® 100 alloy) cylinders. The experiments were conducted at Lawrence Livermore National Laboratory (LLNL) during 2007 to 2008 [10]. A principal objective of this study was to gain an understanding of dynamic material failure through the analysis of hydrodynamic computer code simulations. Two-dimensional and three-dimensional computational cylinder models were analyzed using the ALE3D multi-physics computer code.

  8. Modeling the effects of river flow on population dynamics of piping plovers (Charadrius melodus) and least terns (Sternula antillarum) nesting on the Missouri River

    SciTech Connect (OSTI)

    Buenau, Kate E.; Hiller, Tim L.; Tyre, Andrew J.

    2014-10-01

    Humans make extensive use of rivers and floodplains for economic benefits including agriculture, hydropower, commerce and recreation. Economic development of floodplains subsequently requires control of river levels to avoid flood damage. This process began in the Missouri River basin in the 1890s with the construction of a series of hydropower dams in Montana and escalated to new levels with the approval of the Pick-Sloan plan in the 1944 Flood Control Act. Maximizing these human uses of the river led to changes in and losses of hydrological and ecological processes, ultimately resulting in the federal listing of three fish and wildlife species under the Endangered Species Act: the pallid sturgeon (Scaphirhyncus albus; 1983), the piping plover (Charadrius melodus; 1984), and the interior population of least tern (Sternula antillarum; 1985). The listing of terns and plovers did not affect river management until the United States Army Corps of Engineers (USACE) proposed to modify the governing document of the Missouri River Mainstem System, the Master Manual, a process which was completed in 2003. Although there was little disagreement over the habitat conditions that terns and plovers used for nesting, there was substantial disagreement over the amount of habitat necessary for terns and plovers to meet population recovery goals. Answering this question requires forecasting species-specific population responses to dynamic habitat affected by both human actions (reservoir management and habitat restoration) and natural variability in precipitation. Piping plovers and least terns nest along the Missouri River from Fort Peck, Montana to just north of Sioux City, Iowa (Figure 1). Both species prefer to nest on sand and fine gravel substrates with no or sparse vegetation cover (Prindiville Gaines and Ryan, 1988; Sherfy et al., 2012), such as riverine sandbars (emergent sandbar habitat; ESH). Piping plovers also nest on reservoir shorelines that lack vegetation cover

  9. Final technical report [ACCELERATED MOLECULAR DYNAMICS SIMULATIONS OF REACTIVE HYDROCARBON SYSTEMS

    SciTech Connect (OSTI)

    Stuart, Steven J.

    2014-02-25

    The research activities in this project consisted of four different sub-projects. Three different accelerated dynamics techniques (parallel replica dynamics, hyperdynamics, and temperature-accelerated dynamics) were applied to the modeling of pyrolysis of hydrocarbons. In addition, parallel replica dynamics was applied to modeling of polymerization.

  10. The handbook of fluid dynamics

    SciTech Connect (OSTI)

    Johnson, R.W.

    1998-07-01

    This book provides professionals in the field of fluid dynamics with a comprehensive guide and resource. The book balances three traditional areas of fluid mechanics--theoretical, computational, and experimental--and expounds on basic science and engineering techniques. Each chapter introduces a topic, discusses the primary issues related to this subject, outlines approaches taken by experts, and supplies references for further information. Topics discussed include: (1) basic engineering fluid dynamics; (2) classical fluid dynamics; (3) turbulence modeling; (4) reacting flows; (5) multiphase flows; (6) flow and porous media; (7) high Reynolds number asymptotic theories; (8) finite difference method; (9) finite volume method; (10) finite element methods; (11) spectral element methods for incompressible flows; (12) experimental methods, such as hot-wire anemometry, laser-Doppler velocimetry, and flow visualization; and (13) applications, such as axial-flow compressor and fan aerodynamics, turbomachinery, airfoils and wings, atmospheric flows, and mesoscale oceanic flows.

  11. Fissile solution dynamics: Student research

    SciTech Connect (OSTI)

    Hetrick, D.L.

    1994-09-01

    There are two research projects in criticality safety at the University of Arizona: one in dynamic simulation of hypothetical criticality accidents in fissile solutions, and one in criticality benchmarks using transport theory. We have used the data from nuclear excursions in KEWB, CRAC, and SILENE to help in building models for solution excursions. An equation of state for liquids containing gas bubbles has been developed and coupled to point-reactor dynamics in an attempt to predict fission rate, yield, pressure, and kinetic energy. It appears that radiolytic gas is unimportant until after the first peak, but that it does strongly affect the shape of the subsequent power decrease and also the dynamic pressure.

  12. Cantera Aerosol Dynamics Simulator

    Energy Science and Technology Software Center (OSTI)

    2004-09-01

    The Cantera Aerosol Dynamics Simulator (CADS) package is a general library for aerosol modeling to address aerosol general dynamics, including formation from gas phase reactions, surface chemistry (growth and oxidation), bulk particle chemistry, transport by Brownian diffusion, thermophoresis, and diffusiophoresis with linkage to DSMC studies, and thermal radiative transport. The library is based upon Cantera, a C++ Cal Tech code that handles gas phase species transport, reaction, and thermodynamics. The method uses a discontinuous galerkinmore » formulation for the condensation and coagulation operator that conserves particles, elements, and enthalpy up to round-off error. Both O-D and 1-D time dependent applications have been developed with the library. Multiple species in the solid phase are handled as well. The O-D application, called Tdcads (Time Dependent CADS) is distributed with the library. Tdcads can address both constant volume and constant pressure adiabatic homogeneous problems. An extensive set of sample problems for Tdcads is also provided.« less

  13. Sandia Energy - Simulations Reveal Ion Dynamics in Polymer Electrolyte

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

    and their effects on material properties is important for improved design. Recent molecular-dynamics simulations have revealed new details of ion motion in model ionomers....

  14. Dimensions of invariant measures for continuous random dynamical systems

    SciTech Connect (OSTI)

    Bielaczyc, Tomasz; Horbacz, Katarzyna

    2015-03-10

    We consider continuous random dynamical systems with jumps. We estimate the dimension of the invariant measures and apply the results to a model of stochastic gene expression.

  15. Final Report: Computational Fluid Dynamics and Combustion Dynamics, February 15, 1995 - February 14, 1998

    SciTech Connect (OSTI)

    Colella, Phillip

    1998-09-22

    The HPCC Grand Challenge Project on Computational Fluid Dynamics and Combustion Dynamics focuses on the development of advanced numerical methodologies for modeling realistic engineering problems in combustion and other areas of fluid dynamics. The project was a collaboration between two DOE Laboratories (LBNL and LANL) and two universities (University of California, Berkeley, and New York University). In this document, we report on the work done under the UC Berkeley portion of the grant.

  16. Nuclear Energy -- Knowledge Base for Advanced Modeling and Simulation (NE-KAMS) Code Verification and Validation Data Standards and Requirements: Fluid Dynamics Version 1.0

    SciTech Connect (OSTI)

    Greg Weirs; Hyung Lee

    2011-09-01

    V&V and UQ are the primary means to assess the accuracy and reliability of M&S and, hence, to establish confidence in M&S. Though other industries are establishing standards and requirements for the performance of V&V and UQ, at present, the nuclear industry has not established such standards or requirements. However, the nuclear industry is beginning to recognize that such standards are needed and that the resources needed to support V&V and UQ will be very significant. In fact, no single organization has sufficient resources or expertise required to organize, conduct and maintain a comprehensive V&V and UQ program. What is needed is a systematic and standardized approach to establish and provide V&V and UQ resources at a national or even international level, with a consortium of partners from government, academia and industry. Specifically, what is needed is a structured and cost-effective knowledge base that collects, evaluates and stores verification and validation data, and shows how it can be used to perform V&V and UQ, leveraging collaboration and sharing of resources to support existing engineering and licensing procedures as well as science-based V&V and UQ processes. The Nuclear Energy Knowledge base for Advanced Modeling and Simulation (NE-KAMS) is being developed at the Idaho National Laboratory in conjunction with Bettis Laboratory, Sandia National Laboratories, Argonne National Laboratory, Utah State University and others with the objective of establishing a comprehensive and web-accessible knowledge base to provide V&V and UQ resources for M&S for nuclear reactor design, analysis and licensing. The knowledge base will serve as an important resource for technical exchange and collaboration that will enable credible and reliable computational models and simulations for application to nuclear power. NE-KAMS will serve as a valuable resource for the nuclear industry, academia, the national laboratories, the U.S. Nuclear Regulatory Commission (NRC) and

  17. Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics Model Earl D. Mattson; Larry Hull; Kara Cafferty 02 PETROLEUM Water Water A system dynamic model was construction...

  18. Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics Model Citation Details In-Document Search Title: Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics Model ...

  19. Sierra Structural Dynamics User's Notes

    SciTech Connect (OSTI)

    Reese, Garth M.

    2015-10-19

    Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of weapons systems. This document provides a users guide to the input for Sierra/SD. Details of input specifications for the different solution types, output options, element types and parameters are included. The appendices contain detailed examples, and instructions for running the software on parallel platforms.

  20. Shared and Dynamic Libraries

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

    Shared and Dynamic Libraries Shared and Dynamic Libraries The Edison system can support applications that use dynamic shared libraries (DSL) on the compute nodes. Some "out-of-the-box" applications require DSLs and some popular applications like Python use DSLs as well. Using System Shared and Dynamic Libraries "System" DSLs include those that support software packages found in "typical" Linux distributions, e.g. Python and Perl. To build an application that will

  1. Shared and Dynamic Libraries

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

    Shared and Dynamic Libraries Shared and Dynamic Libraries The Hopper system can support applications that use dynamic shared libraries (DSL) on the compute nodes. Some "out-of-the-box" applications require DSLs and some popular applications like Python use DSLs as well. Using System Shared and Dynamic Libraries "System" DSLs include those that support software packages found in "typical" Linux distributions, e.g. Python and Perl. To build an application that will

  2. Intramolecular and nonlinear dynamics

    SciTech Connect (OSTI)

    Davis, M.J.

    1993-12-01

    Research in this program focuses on three interconnected areas. The first involves the study of intramolecular dynamics, particularly of highly excited systems. The second area involves the use of nonlinear dynamics as a tool for the study of molecular dynamics and complex kinetics. The third area is the study of the classical/quantum correspondence for highly excited systems, particularly systems exhibiting classical chaos.

  3. Dynamic interaction potential and the scattering cross sections of the semiclassical plasma particles

    SciTech Connect (OSTI)

    Dzhumagulova, K. N.; Shalenov, E. O.; Gabdullina, G. L.

    2013-04-15

    The dynamic model of the charged particles interaction in non-ideal semiclassical plasma is presented. This model takes into account the quantum mechanical diffraction effect and the dynamic screening effect. On the basis of the dynamic interaction potential, the electron scattering cross sections are investigated. Comparison with the results obtained on the basis of other models and conclusions were made.

  4. DYNAMIC DELAMINATION IN THROUGH-THICKNESS REINFORCED DCB SPECIMEN

    SciTech Connect (OSTI)

    N. SRIDHAR; ET AL

    2001-02-01

    Bridged crack models using beam theory formulation have proved to be effective in the modeling of quasistatic delamination crack growth in through thickness reinforced structures. In this paper, we model dynamic crack propagation in these structures with the beam theory formulation. Steady state crack propagation characteristics unique to the dynamic case are first identified. Dynamic crack propagation and the energetics of steady state dynamic crack growth for a Double Cantilever beam (DCB) configuration loaded with a flying wedge is examined next. We find that steady state crack growth is attainable for this loading configuration provided certain conditions are satisfied.

  5. Computational fluid dynamics in oil burner design

    SciTech Connect (OSTI)

    Butcher, T.A.

    1997-09-01

    In Computational Fluid Dynamics, the differential equations which describe flow, heat transfer, and mass transfer are approximately solved using a very laborious numerical procedure. Flows of practical interest to burner designs are always turbulent, adding to the complexity of requiring a turbulence model. This paper presents a model for burner design.

  6. Nuclear Reactions and Stellar Evolution: Unified Dynamics

    SciTech Connect (OSTI)

    Bauer, W.; Strother, T.

    2007-10-26

    Motivated by the success of kinetic theory in the description of observables in intermediate and high energy heavy ion collisions, we use kinetic theory to model the dynamics of collapsing iron cores in type II supernova explosions. The algorithms employed to model the collapse, some preliminary results and predictions, and the future of the code are discussed.

  7. Dynamic temperature measurements with embedded optical sensors.

    SciTech Connect (OSTI)

    Dolan, Daniel H.,; Seagle, Christopher T; Ao, Tommy

    2013-10-01

    This report summarizes LDRD project number 151365, %5CDynamic Temperature Measurements with Embedded Optical Sensors%22. The purpose of this project was to develop an optical sensor capable of detecting modest temperature states (<1000 K) with nanosecond time resolution, a recurring diagnostic need in dynamic compression experiments at the Sandia Z machine. Gold sensors were selected because the visible re ectance spectrum of gold varies strongly with temperature. A variety of static and dynamic measurements were performed to assess re ectance changes at di erent temperatures and pressures. Using a minimal optical model for gold, a plausible connection between static calibrations and dynamic measurements was found. With re nements to the model and diagnostic upgrades, embedded gold sensors seem capable of detecting minor (<50 K) temperature changes under dynamic compression.

  8. Slow Dynamics of Orbital Domains in Manganite

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

    Slow Dynamics of Orbital Domains in Manganite Slow Dynamics of Orbital Domains in Manganite Print Wednesday, 25 June 2008 00:00 At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the correlated motion of groups of self-assembled, outer-lying electrons in the extremely complex electronic system found in manganites. The manganite family of materials has puzzled physicists for years by defying standard models for the motion of

  9. MECHANICS OF CRACK BRIDGING UNDER DYNAMIC LOADS

    SciTech Connect (OSTI)

    N. SRIDHAR; ET AL

    2001-02-01

    A bridging law for fiber reinforced composites under dynamic crack propagation conditions has been derived. Inertial effects in the mechanism of fiber pullout during dynamic propagation of a bridged crack are critically examined for the first time. By reposing simple shear lag models of pullout as problems of dynamic wave propagation, the effect of the frictional coupling between the fibers and the matrix is accounted for in a fairly straightforward way. The solutions yield the time-dependent relationship between the crack opening displacement and the bridging traction. Engineering criteria and the role of material and geometrical parameters for significant inertial effects are identified.

  10. Parallel Implementation of Power System Dynamic Simulation

    SciTech Connect (OSTI)

    Jin, Shuangshuang; Huang, Zhenyu; Diao, Ruisheng; Wu, Di; Chen, Yousu

    2013-07-21

    Dynamic simulation of power system transient stability is important for planning, monitoring, operation, and control of electrical power systems. However, modeling the system dynamics and network involves the computationally intensive time-domain solution of numerous differential and algebraic equations (DAE). This results in a transient stability implementation that may not maintain the real-time constraints of an online security assessment. This paper presents a parallel implementation of the dynamic simulation on a high-performance computing (HPC) platform using parallel simulation algorithms and computation architectures. It enables the simulation to run even faster than real time, enabling the look-ahead capability of upcoming stability problems in the power grid.

  11. EXTENDED MAGNETOHYDRODYNAMIC MODELING OF PLASMA RELAXATION DYNAMICS

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

    ... in terms of the lower order moments via closure relations. Closure relations are always approximate, and the search for ... we will see, it does not enter directly into the evolution ...

  12. Modeling mesoscopic phenomena in extended dynamical systems

    SciTech Connect (OSTI)

    Bishop, A.; Lomdahl, P.; Jensen, N.G.; Cai, D.S. [Los Alamos National Lab., NM (United States); Mertenz, F. [Bayreuth Univ. (Germany); Konno, Hidetoshi [Tsukuba Univ., Ibaraki (Japan); Salkola, M. [Stanford Univ., CA (United States)

    1997-08-01

    This is the final report of a three-year, Laboratory-Directed Research and Development project at the Los Alamos National Laboratory (LANL). We have obtained classes of nonlinear solutions on curved geometries that demonstrate a novel interplay between topology and geometric frustration relevant for nanoscale systems. We have analyzed the nature and stability of localized oscillatory nonlinear excitations (multi-phonon bound states) on discrete nonlinear chains, including demonstrations of successful perturbation theories, existence of quasiperiodic excitations, response to external statistical time-dependent fields and point impurities, robustness in the presence of quantum fluctuations, and effects of boundary conditions. We have demonstrated multi-timescale effects for nonlinear Schroedinger descriptions and shown the success of memory function approaches for going beyond these approximations. In addition we have developed a generalized rate-equation framework that allows analysis of the important creation/annihilation processes in driven nonlinear, nonequilibiium systems.

  13. Materials Science in Radiation and Dynamics Extremes

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

    8 Materials Science in Radiation and Dynamics Extremes Our combination of modeling and experimental testing capabilities opens up unparalleled opportunities to do fundamental research leading to physics-based predictive models. Contact Us Group Leader Ellen Cerreta Email Deputy Group Leader Christopher Stanek Email Group Office (505) 665-4735 We predict structure/property relationships of materials, perform computational materials modeling, characterize thermophysical properties, and measure the

  14. Shared and Dynamic Libraries

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

    Some "out-of-the-box" applications require DSLs and some popular applications like Python use DSLs as well. Using System Shared and Dynamic Libraries "System" DSLs include...

  15. Accelerated Molecular Dynamics Methods

    Broader source: Energy.gov [DOE]

    This presentation on Accelerated Molecular Dynamics Methods was given at the DOE Theory Focus Session on Hydrogen Storage Materials on May 18, 2006.

  16. Brownian Dynamics Simulation of Protein Solutions: Structural and Dynamical Properties

    SciTech Connect (OSTI)

    Mereghetti, Paolo; Gabdoulline, Razif; Wade, Rebecca C.

    2010-12-01

    The study of solutions of biomacromolecules provides an important basis for understanding the behavior of many fundamental cellular processes, such as protein folding, self-assembly, biochemical reactions, and signal transduction. Here, we describe a Brownian dynamics simulation procedure and its validation for the study of the dynamic and structural properties of protein solutions. In the model used, the proteins are treated as atomically detailed rigid bodies moving in a continuum solvent. The protein-protein interaction forces are described by the sum of electrostatic interaction, electrostatic desolvation, nonpolar desolvation, and soft-core repulsion terms. The linearized Poisson-Boltzmann equation is solved to compute electrostatic terms. Simulations of homogeneous solutions of three different proteins with varying concentrations, pH, and ionic strength were performed. The results were compared to experimental data and theoretical values in terms of long-time self-diffusion coefficients, second virial coefficients, and structure factors. The results agree with the experimental trends and, in many cases, experimental values are reproduced quantitatively. There are no parameters specific to certain protein types in the interaction model, and hence the model should be applicable to the simulation of the behavior of mixtures of macromolecules in cell-like crowded environments.

  17. THE 2011 FEBRUARY 15 X2 FLARE, RIBBONS, CORONAL FRONT, AND MASS EJECTION: INTERPRETING THE THREE-DIMENSIONAL VIEWS FROM THE SOLAR DYNAMICS OBSERVATORY AND STEREO GUIDED BY MAGNETOHYDRODYNAMIC FLUX-ROPE MODELING

    SciTech Connect (OSTI)

    Schrijver, Carolus J.; Title, Alan M.; Aulanier, Guillaume; Pariat, Etienne; Delannee, Cecile E-mail: title@lmsal.com E-mail: etienne.pariat@obspm.fr

    2011-09-10

    The 2011 February 15 X2.2 flare and associated Earth-directed halo coronal mass ejection were observed in unprecedented detail with high resolution in spatial, temporal, and thermal dimensions by the Atmospheric Imaging Assembly (AIA) on the Solar Dynamics Observatory, as well as by instruments on the two STEREO spacecraft, then at near-quadrature relative to the Sun-Earth line. These observations enable us to see expanding loops from a flux-rope-like structure over the shearing polarity-inversion line between the central {delta}-spot groups of AR 11158, developing a propagating coronal front ('EIT wave'), and eventually forming the coronal mass ejection moving into the inner heliosphere. The observations support the interpretation that all of these features, including the 'EIT wave', are signatures of an expanding volume traced by loops (much larger than the flux rope only), surrounded by a moving front rather than predominantly wave-like perturbations; this interpretation is supported by previously published MHD models for active-region and global scales. The lateral expansion of the eruption is limited to the local helmet-streamer structure and halts at the edges of a large-scale domain of connectivity (in the process exciting loop oscillations at the edge of the southern polar coronal hole). The AIA observations reveal that plasma warming occurs within the expansion front as it propagates over quiet Sun areas. This warming causes dimming in the 171 A (Fe IX and Fe X) channel and brightening in the 193 and 211 A (Fe XII-XIV) channels along the entire front, while there is weak 131 A (Fe VIII and Fe XXI) emission in some directions. An analysis of the AIA response functions shows that sections of the front running over the quiet Sun are consistent with adiabatic warming; other sections may require additional heating which MHD modeling suggests could be caused by Joule dissipation. Although for the events studied here the effects of volumetric expansion are much

  18. IPGT Reservoir Modeling Working Group

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

    for Technology Development Whitepaper * Dynamic changes in permeability - current models ... to what would be expected due to viscosity changes - Viscosity 5X higher at 20 o C ...

  19. Single ion dynamics in molten sodium bromide

    SciTech Connect (OSTI)

    Alcaraz, O.; Trullas, J.; Demmel, F.

    2014-12-28

    We present a study on the single ion dynamics in the molten alkali halide NaBr. Quasielastic neutron scattering was employed to extract the self-diffusion coefficient of the sodium ions at three temperatures. Molecular dynamics simulations using rigid and polarizable ion models have been performed in parallel to extract the sodium and bromide single dynamics and ionic conductivities. Two methods have been employed to derive the ion diffusion, calculating the mean squared displacements and the velocity autocorrelation functions, as well as analysing the increase of the line widths of the self-dynamic structure factors. The sodium diffusion coefficients show a remarkable good agreement between experiment and simulation utilising the polarisable potential.

  20. Dynamics of gauge field inflation

    SciTech Connect (OSTI)

    Alexander, Stephon; Jyoti, Dhrubo; Kosowsky, Arthur; Marcianò, Antonino

    2015-05-05

    We analyze the existence and stability of dynamical attractor solutions for cosmological inflation driven by the coupling between fermions and a gauge field. Assuming a spatially homogeneous and isotropic gauge field and fermion current, the interacting fermion equation of motion reduces to that of a free fermion up to a phase shift. Consistency of the model is ensured via the Stückelberg mechanism. We prove the existence of exactly one stable solution, and demonstrate the stability numerically. Inflation arises without fine tuning, and does not require postulating any effective potential or non-standard coupling.

  1. Interference of probabilities in dynamics

    SciTech Connect (OSTI)

    Zak, Michail

    2014-08-15

    A new class of dynamical systems with a preset type of interference of probabilities is introduced. It is obtained from the extension of the Madelung equation by replacing the quantum potential with a specially selected feedback from the Liouville equation. It has been proved that these systems are different from both Newtonian and quantum systems, but they can be useful for modeling spontaneous collective novelty phenomena when emerging outputs are qualitatively different from the weighted sum of individual inputs. Formation of language and fast decision-making process as potential applications of the probability interference is discussed.

  2. Quantum effects in unimolecular reaction dynamics

    SciTech Connect (OSTI)

    Gezelter, J.D.

    1995-12-01

    This work is primarily concerned with the development of models for the quantum dynamics of unimolecular isomerization and photodissociation reactions. We apply the rigorous quantum methodology of a Discrete Variable Representation (DVR) with Absorbing Boundary Conditions (ABC) to these models in an attempt to explain some very surprising results from a series of experiments on vibrationally excited ketene. Within the framework of these models, we are able to identify the experimental signatures of tunneling and dynamical resonances in the energy dependence of the rate of ketene isomerization. Additionally, we investigate the step-like features in the energy dependence of the rate of dissociation of triplet ketene to form {sup 3}B{sub 1} CH{sub 2} + {sup 1}{sigma}{sup +} CO that have been observed experimentally. These calculations provide a link between ab initio calculations of the potential energy surfaces and the experimentally observed dynamics on these surfaces. Additionally, we develop an approximate model for the partitioning of energy in the products of photodissociation reactions of large molecules with appreciable barriers to recombination. In simple bond cleavage reactions like CH{sub 3}COCl {yields} CH{sub 3}CO + Cl, the model does considerably better than other impulsive and statistical models in predicting the energy distribution in the products. We also investigate ways of correcting classical mechanics to include the important quantum mechanical aspects of zero-point energy. The method we investigate is found to introduce a number of undesirable dynamical artifacts including a reduction in the above-threshold rates for simple reactions, and a strong mixing of the chaotic and regular energy domains for some model problems. We conclude by discussing some of the directions for future research in the field of theoretical chemical dynamics.

  3. Earth materials and earth dynamics

    SciTech Connect (OSTI)

    Bennett, K; Shankland, T.

    2000-11-01

    In the project ''Earth Materials and Earth Dynamics'' we linked fundamental and exploratory, experimental, theoretical, and computational research programs to shed light on the current and past states of the dynamic Earth. Our objective was to combine different geological, geochemical, geophysical, and materials science analyses with numerical techniques to illuminate active processes in the Earth. These processes include fluid-rock interactions that form and modify the lithosphere, non-linear wave attenuations in rocks that drive plate tectonics and perturb the earth's surface, dynamic recrystallization of olivine that deforms the upper mantle, development of texture in high-pressure olivine polymorphs that create anisotropic velocity regions in the convecting upper mantle and transition zone, and the intense chemical reactions between the mantle and core. We measured physical properties such as texture and nonlinear elasticity, equation of states at simultaneous pressures and temperatures, magnetic spins and bonding, chemical permeability, and thermal-chemical feedback to better characterize earth materials. We artificially generated seismic waves, numerically modeled fluid flow and transport in rock systems and modified polycrystal plasticity theory to interpret measured physical properties and integrate them into our understanding of the Earth. This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL).

  4. NREL: Energy Analysis - BSM: Biomass Scenario Model

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

    BSM - Biomass Scenario Model Energy Analysis The Biomass Scenario Model (BSM) is a unique, carefully validated, state-of-the-art, dynamic model of the domestic biofuels supply chain. BSM explicitly focuses on policy issues, their feasibility, and potential side effects. It integrates resource availability, physical/technological/economic constraints, behavior, and policy. BSM uses a system dynamics simulation (not optimization) to model dynamic interactions across the supply chain. The model

  5. Modeling for Insights

    SciTech Connect (OSTI)

    Jacob J. Jacobson; Gretchen Matthern

    2007-04-01

    System Dynamics is a computer-aided approach to evaluating the interrelationships of different components and activities within complex systems. Recently, System Dynamics models have been developed in areas such as policy design, biological and medical modeling, energy and the environmental analysis, and in various other areas in the natural and social sciences. The real power of System Dynamic modeling is gaining insights into total system behavior as time, and system parameters are adjusted and the effects are visualized in real time. System Dynamic models allow decision makers and stakeholders to explore long-term behavior and performance of complex systems, especially in the context of dynamic processes and changing scenarios without having to wait decades to obtain field data or risk failure if a poor management or design approach is used. The Idaho National Laboratory recently has been developing a System Dynamic model of the US Nuclear Fuel Cycle. The model is intended to be used to identify and understand interactions throughout the entire nuclear fuel cycle and suggest sustainable development strategies. This paper describes the basic framework of the current model and presents examples of useful insights gained from the model thus far with respect to sustainable development of nuclear power.

  6. Rotational Brownian Dynamics simulations of clathrin cage formation

    SciTech Connect (OSTI)

    Ilie, Ioana M.; Briels, Wim J.; Otter, Wouter K. den

    2014-08-14

    The self-assembly of nearly rigid proteins into ordered aggregates is well suited for modeling by the patchy particle approach. Patchy particles are traditionally simulated using Monte Carlo methods, to study the phase diagram, while Brownian Dynamics simulations would reveal insights into the assembly dynamics. However, Brownian Dynamics of rotating anisotropic particles gives rise to a number of complications not encountered in translational Brownian Dynamics. We thoroughly test the Rotational Brownian Dynamics scheme proposed by Naess and Elsgaeter [Macromol. Theory Simul. 13, 419 (2004); Naess and Elsgaeter Macromol. Theory Simul. 14, 300 (2005)], confirming its validity. We then apply the algorithm to simulate a patchy particle model of clathrin, a three-legged protein involved in vesicle production from lipid membranes during endocytosis. Using this algorithm we recover time scales for cage assembly comparable to those from experiments. We also briefly discuss the undulatory dynamics of the polyhedral cage.

  7. Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics Model Citation Details In-Document Search Title: Water Usage for In-Situ Oil Shale Retorting - A Systems Dynamics ...

  8. Solar Dynamics | Open Energy Information

    Open Energy Info (EERE)

    Dynamics Jump to: navigation, search Name: Solar Dynamics Place: Ottumwa, Iowa Zip: IA 52501 Sector: Solar Product: Solar Dynamics is a US-based solar powered attic roof vents...

  9. Static & Dynamic Response of 3D Solids

    Energy Science and Technology Software Center (OSTI)

    1996-07-15

    NIKE3D is a large deformations 3D finite element code used to obtain the resulting displacements and stresses from multi-body static and dynamic structural thermo-mechanics problems with sliding interfaces. Many nonlinear and temperature dependent constitutive models are available.

  10. Reaction dynamics in polyatomic molecular systems

    SciTech Connect (OSTI)

    Miller, W.H.

    1993-12-01

    The goal of this program is the development of theoretical methods and models for describing the dynamics of chemical reactions, with specific interest for application to polyatomic molecular systems of special interest and relevance. There is interest in developing the most rigorous possible theoretical approaches and also in more approximate treatments that are more readily applicable to complex systems.

  11. Order, chaos and nuclear dynamics: An introduction

    SciTech Connect (OSTI)

    Swiatecki, W.J.

    1990-08-01

    This is an introductory lecture illustrating by simple examples the anticipated effect on collective nuclear dynamics of a transition from order to chaos in the motions of nucleons inside an idealized nucleus. The destruction of order is paralleled by a transition from a rubber-like to a honey-like behaviour of the independent-particle nuclear model. 10 refs., 6 figs.

  12. PyMPI Dynamic Benchmark

    Energy Science and Technology Software Center (OSTI)

    2007-02-16

    Pynamic is a benchmark designed to test a system's ability to handle the Dynamic Linking and Loading (DLL) requirements of Python-based scientific applications. This benchmark is developed to add a workload to our testing environment, a workload that represents a newly emerging class of DLL behaviors. Pynamic buildins on pyMPI, and MPI extension to Python C-extension dummy codes and a glue layer that facilitates linking and loading of the generated dynamic modules into the resultingmore » pyMPI. Pynamic is configurable, enabling modeling the static properties of a specific code as described in section 5. It does not, however, model any significant computationss of the target and hence, it is not subjected to the same level of control as the target code. In fact, HPC computer vendors and tool developers will be encouraged to add it to their tesitn suite once the code release is completed. an ability to produce and run this benchmark is an effective test for valifating the capability of a compiler and linker/loader as well as an OS kernel and other runtime system of HPC computer vendors. In addition, the benchmark is designed as a test case for stressing code development tools. Though Python has recently gained popularity in the HPC community, it heavy DLL operations have hindered certain HPC code development tools, notably parallel debuggers, from performing optimally.« less

  13. Shock dynamics of phase diagrams

    SciTech Connect (OSTI)

    Moro, Antonio

    2014-04-15

    A thermodynamic phase transition denotes a drastic change of state of a physical system due to a continuous change of thermodynamic variables, as for instance pressure and temperature. The classical van der Waals equation of state is the simplest model that predicts the occurrence of a critical point associated with the gasliquid phase transition. Nevertheless, below the critical temperature theoretical predictions of the van der Waals theory significantly depart from the observed physical behaviour. We develop a novel approach to classical thermodynamics based on the solution of Maxwell relations for a generalised family of nonlocal entropy functions. This theory provides an exact mathematical description of discontinuities of the order parameter within the phase transition region, it explains the universal form of the equations of state and the occurrence of triple points in terms of the dynamics of nonlinear shock wave fronts. -- Highlights: A new generalisation of van der Waals equation of state. Description of phase transitions in terms of shock dynamics of state curves. Proof of the universality of equations of state for a general class of models. Interpretation of triple points as confluence of classical shock waves. Correspondence table between thermodynamics and nonlinear conservation laws.

  14. Dynamic analysis of pressure infiltration processes

    SciTech Connect (OSTI)

    Biswas, D.K.; Gatica, J.E.; Tewari, S.N.

    1995-12-01

    Unidirectional pressure infiltration of porous preforms by molten metal/alloys is investigated in this study. The dynamics of the process is analyzed via the numerical solution of a mathematical model. Comparison against classical asymptotic analyses shows that, for realistic samples, end effects may become important and render asymptotic results unreliable. A comparison with experiments proves the model to be an efficient predictive tool in the analysis of infiltration processes for different preform/melt systems.

  15. Accelerated Molecular Dynamics Methods

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

    ... Los Alamos Parallel Replica Dynamics Procedure Start clock and run thermostatted MD on ... Sum the trajectory times over all M processors. Advance simulation clock by this t sum Los ...

  16. Multipulsed dynamic moire interferometer

    DOE Patents [OSTI]

    Deason, Vance A.

    1991-01-01

    An improved dynamic moire interferometer comprised of a lasing medium providing a plurality of beams of coherent light, a multiple q-switch producing multiple trains of 100,000 or more pulses per second, a combining means collimating multiple trains of pulses into substantially a single train and directing beams to specimen gratings affixed to a test material, and a controller, triggering and sequencing the emission of the pulses with the occurrence and recording of a dynamic loading event.

  17. Photochemical reaction dynamics

    SciTech Connect (OSTI)

    Moore, B.C.

    1993-12-01

    The purpose of the program is to develop a fundamental understanding of unimolecular and bimolecular reaction dynamics with application in combustion and energy systems. The energy dependence in ketene isomerization, ketene dissociation dynamics, and carbonyl substitution on organometallic rhodium complexes in liquid xenon have been studied. Future studies concerning unimolecular processes in ketene as well as energy transfer and kinetic studies of methylene radicals are discussed.

  18. Handbook on dynamics of jointed structures.

    SciTech Connect (OSTI)

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

    2009-07-01

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

  19. Sheath dynamics induced by ion-acoustic rarefaction wave

    SciTech Connect (OSTI)

    Murakami, M. ); Nishihara, K. )

    1993-09-01

    A simple analytical model is presented to describe the sheath dynamics, when a stationary slab plasma with a uniform density [ital n][sub 0] faces a negatively biased wall with a voltage [phi][sub 0]. The dynamics strongly depends on the sheath thickness [ital s]. If [ital s] is less than a well-defined distance [ital s][sub [ital e

  20. Transportation Systems Modeling

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

    TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling TRANSPORTATION SYSTEMS MODELING Overview of TSM Transportation systems modeling research at TRACC uses the TRANSIMS (Transportation Analysis SIMulation System) traffic micro simulation code developed by the U.S. Department of Transportation (USDOT). The TRANSIMS code represents the latest generation of traffic simulation codes developed jointly under multiyear programs by USDOT, the

  1. OSPREY Model

    SciTech Connect (OSTI)

    Veronica J. Rutledge

    2013-01-01

    The absence of industrial scale nuclear fuel reprocessing in the U.S. has precluded the necessary driver for developing the advanced simulation capability now prevalent in so many other countries. Thus, it is essential to model complex series of unit operations to simulate, understand, and predict inherent transient behavior and feedback loops. A capability of accurately simulating the dynamic behavior of advanced fuel cycle separation processes will provide substantial cost savings and many technical benefits. The specific fuel cycle separation process discussed in this report is the off-gas treatment system. The off-gas separation consists of a series of scrubbers and adsorption beds to capture constituents of interest. Dynamic models are being developed to simulate each unit operation involved so each unit operation can be used as a stand-alone model and in series with multiple others. Currently, an adsorption model has been developed within Multi-physics Object Oriented Simulation Environment (MOOSE) developed at the Idaho National Laboratory (INL). Off-gas Separation and REcoverY (OSPREY) models the adsorption of off-gas constituents for dispersed plug flow in a packed bed under non-isothermal and non-isobaric conditions. Inputs to the model include gas, sorbent, and column properties, equilibrium and kinetic data, and inlet conditions. The simulation outputs component concentrations along the column length as a function of time from which breakthrough data is obtained. The breakthrough data can be used to determine bed capacity, which in turn can be used to size columns. It also outputs temperature along the column length as a function of time and pressure drop along the column length. Experimental data and parameters were input into the adsorption model to develop models specific for krypton adsorption. The same can be done for iodine, xenon, and tritium. The model will be validated with experimental breakthrough curves. Customers will be given access to

  2. Competency Models

    Broader source: Energy.gov [DOE]

    An industry-validated competency model is an excellent tool for identifying the skills needed to succeed in a particular job, developing curricula to teach them, and benchmarking their attainment. Particularly valuable in dynamic industries like solar energy, a competency framework is critical to any training program attempting to advance lower-skilled workers into navigable career pathways, or transition higher skilled workers into new industry sectors.

  3. Dynamic Event Tree Analysis Through RAVEN

    SciTech Connect (OSTI)

    A. Alfonsi; C. Rabiti; D. Mandelli; J. Cogliati; R. A. Kinoshita; A. Naviglio

    2013-09-01

    Conventional Event-Tree (ET) based methodologies are extensively used as tools to perform reliability and safety assessment of complex and critical engineering systems. One of the disadvantages of these methods is that timing/sequencing of events and system dynamics is not explicitly accounted for in the analysis. In order to overcome these limitations several techniques, also know as Dynamic Probabilistic Risk Assessment (D-PRA), have been developed. Monte-Carlo (MC) and Dynamic Event Tree (DET) are two of the most widely used D-PRA methodologies to perform safety assessment of Nuclear Power Plants (NPP). In the past two years, the Idaho National Laboratory (INL) has developed its own tool to perform Dynamic PRA: RAVEN (Reactor Analysis and Virtual control ENvironment). RAVEN has been designed in a high modular and pluggable way in order to enable easy integration of different programming languages (i.e., C++, Python) and coupling with other application including the ones based on the MOOSE framework, developed by INL as well. RAVEN performs two main tasks: 1) control logic driver for the new Thermo-Hydraulic code RELAP-7 and 2) post-processing tool. In the first task, RAVEN acts as a deterministic controller in which the set of control logic laws (user defined) monitors the RELAP-7 simulation and controls the activation of specific systems. Moreover, RAVEN also models stochastic events, such as components failures, and performs uncertainty quantification. Such stochastic modeling is employed by using both MC and DET algorithms. In the second task, RAVEN processes the large amount of data generated by RELAP-7 using data-mining based algorithms. This paper focuses on the first task and shows how it is possible to perform the analysis of dynamic stochastic systems using the newly developed RAVEN DET capability. As an example, the Dynamic PRA analysis, using Dynamic Event Tree, of a simplified pressurized water reactor for a Station Black-Out scenario is presented.

  4. Assessment of boreal forest historical C dynamics in Yukon River...

    Office of Scientific and Technical Information (OSTI)

    this study we applied a large-scale ecosystem model that included dynamics of organic soil horizons and soil organic matter characteristics of multiple pools to assess forest C...

  5. Dynamic analysis of tension-leg platforms

    SciTech Connect (OSTI)

    Morgan, J.R.

    1983-01-01

    The dynamic response of tension-leg platforms subjected to wave loading was investigated using a deterministic dynamic analysis. The model employed in this study is based on coupled nonlinear stiffness coefficients and closed form inertia and drag forcing functions derived using Morison's equation. The forcing functions include relative motion behavior between the fluid particles and the structure. These forcing functions are integrated manually thereby avoiding the need for expensive numerical integration. A set of coupled nonlinear differential equations was integrated sequentially in the time domain using the Newmark beta-method. A computer program was developed to simulate the time history response of the platform motion.

  6. Evolution of entanglement under echo dynamics

    SciTech Connect (OSTI)

    Prosen, Tomaz; Znidaric, Marko [Physics Department, FMF, University of Ljubljana, Ljubljana (Slovenia); Seligman, Thomas H. [Centro de Ciencias Fisicas, University of Mexico (UNAM), Cuernavaca (Mexico)

    2003-04-01

    Echo dynamics and fidelity are often used to discuss stability in quantum-information processing and quantum chaos. Yet fidelity yields no information about entanglement, the characteristic property of quantum mechanics. We study the evolution of entanglement in echo dynamics. We find qualitatively different behavior between integrable and chaotic systems on one hand and between random and coherent initial states for integrable systems on the other. For the latter the evolution of entanglement is given by a classical time scale. Analytic results are illustrated numerically in a Jaynes-Cummings model.

  7. Dynamics of capillary condensation in aerogels

    SciTech Connect (OSTI)

    Nomura, R.; Miyashita, W.; Yoneyama, K.; Okuda, Y. [Department of Condensed Matter Physics, Tokyo Institute of Technology, 2-12-1 O-okayama, Meguro, Tokyo 152-8551 (Japan)

    2006-03-15

    Dynamics of capillary condensation of liquid {sup 4}He in various density silica aerogels was investigated systematically. Interfaces were clearly visible when bulk liquid was rapidly sucked into the aerogel. Time evolution of the interface positions was consistent with the Washburn model and their effective pore radii were obtained. Condensation was a single step in a dense aerogel and two steps in a low density aerogel. Crossover between the two types of condensation was observed in an intermediate density aerogel. Variety of the dynamics may be the manifestation of the fractal nature of aerogels which had a wide range of distribution of pore radii.

  8. Anomaly Detection in Dynamic Networks

    SciTech Connect (OSTI)

    Turcotte, Melissa

    2014-10-14

    Anomaly detection in dynamic communication networks has many important security applications. These networks can be extremely large and so detecting any changes in their structure can be computationally challenging; hence, computationally fast, parallelisable methods for monitoring the network are paramount. For this reason the methods presented here use independent node and edge based models to detect locally anomalous substructures within communication networks. As a first stage, the aim is to detect changes in the data streams arising from node or edge communications. Throughout the thesis simple, conjugate Bayesian models for counting processes are used to model these data streams. A second stage of analysis can then be performed on a much reduced subset of the network comprising nodes and edges which have been identified as potentially anomalous in the first stage. The first method assumes communications in a network arise from an inhomogeneous Poisson process with piecewise constant intensity. Anomaly detection is then treated as a changepoint problem on the intensities. The changepoint model is extended to incorporate seasonal behavior inherent in communication networks. This seasonal behavior is also viewed as a changepoint problem acting on a piecewise constant Poisson process. In a static time frame, inference is made on this extended model via a Gibbs sampling strategy. In a sequential time frame, where the data arrive as a stream, a novel, fast Sequential Monte Carlo (SMC) algorithm is introduced to sample from the sequence of posterior distributions of the change points over time. A second method is considered for monitoring communications in a large scale computer network. The usage patterns in these types of networks are very bursty in nature and don’t fit a Poisson process model. For tractable inference, discrete time models are considered, where the data are aggregated into discrete time periods and probability models are fitted to the

  9. Dynamic Transmission Electron Microscopy

    SciTech Connect (OSTI)

    Evans, James E.; Jungjohann, K. L.; Browning, Nigel D.

    2012-10-12

    Dynamic transmission electron microscopy (DTEM) combines the benefits of high spatial resolution electron microscopy with the high temporal resolution of ultrafast lasers. The incorporation of these two components into a single instrument provides a perfect platform for in situ observations of material processes. However, previous DTEM applications have focused on observing structural changes occurring in samples exposed to high vacuum. Therefore, in order to expand the pump-probe experimental regime to more natural environmental conditions, in situ gas and liquid chambers must be coupled with Dynamic TEM. This chapter describes the current and future applications of in situ liquid DTEM to permit time-resolved atomic scale observations in an aqueous environment, Although this chapter focuses mostly on in situ liquid imaging, the same research potential exists for in situ gas experiments and the successful integration of these techniques promises new insights for understanding nanoparticle, catalyst and biological protein dynamics with unprecedented spatiotemporal resolution.

  10. API Requirements for Dynamic Graph Prediction

    SciTech Connect (OSTI)

    Gallagher, B; Eliassi-Rad, T

    2006-10-13

    Given a large-scale time-evolving multi-modal and multi-relational complex network (a.k.a., a large-scale dynamic semantic graph), we want to implement algorithms that discover patterns of activities on the graph and learn predictive models of those discovered patterns. This document outlines the application programming interface (API) requirements for fast prototyping of feature extraction, learning, and prediction algorithms on large dynamic semantic graphs. Since our algorithms must operate on large-scale dynamic semantic graphs, we have chosen to use the graph API developed in the CASC Complex Networks Project. This API is supported on the back end by a semantic graph database (developed by Scott Kohn and his team). The advantages of using this API are (i) we have full-control of its development and (ii) the current API meets almost all of the requirements outlined in this document.

  11. Dynamic procedure for filtered gyrokinetic simulations

    SciTech Connect (OSTI)

    Morel, P.; Banon Navarro, A.; Albrecht-Marc, M.; Carati, D.; Merz, F.; Goerler, T.; Jenko, F.

    2012-01-15

    Large eddy simulations (LES) of gyrokinetic plasma turbulence are investigated as interesting candidates to decrease the computational cost. A dynamic procedure is implemented in the gene code, allowing for dynamic optimization of the free parameters of the LES models (setting the amplitudes of dissipative terms). Employing such LES methods, one recovers the free energy and heat flux spectra obtained from highly resolved direct numerical simulations. Systematic comparisons are performed for different values of the temperature gradient and magnetic shear, parameters which are of prime importance in ion temperature gradient driven turbulence. Moreover, the degree of anisotropy of the problem, which can vary with parameters, can be adapted dynamically by the method that shows gyrokinetic large eddy simulation to be a serious candidate to reduce numerical cost of gyrokinetic solvers.

  12. Sierra Structural Dynamics Theory Manual

    SciTech Connect (OSTI)

    Reese, Garth M.

    2015-10-19

    Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of structural systems. This manual describes the theory behind many of the constructs in Sierra/SD. For a more detailed description of how to use Sierra/SD , we refer the reader to Sierra/SD, User's Notes . Many of the constructs in Sierra/SD are pulled directly from published material. Where possible, these materials are referenced herein. However, certain functions in Sierra/SD are specific to our implementation. We try to be far more complete in those areas. The theory manual was developed from several sources including general notes, a programmer notes manual, the user's notes and of course the material in the open literature. This page intentionally left blank.

  13. Dynamics of helium films

    SciTech Connect (OSTI)

    Clements, B.E.; Epstein, J.L.; Krotscheck, E.; Tymczak, C.J.; Saarela, M.

    1992-11-01

    The authors present quantitative calculations for the static structure and the dynamics of quantum liquid films on a translationally invariant substrate. The excitation spectrum is calculated by solving the equations of motion for time-dependent one- and two-body densities. They find significant corrections to the Feynman spectrum for the phonon-like collective excitations. 8 refs., 2 figs.

  14. Hydrogen bond dynamics in bulk alcohols

    SciTech Connect (OSTI)

    Shinokita, Keisuke; Cunha, Ana V.; Jansen, Thomas L. C.; Pshenichnikov, Maxim S.

    2015-06-07

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamicsquantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquidalcoholshas attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups.

  15. Computational fluid dynamics improves liner cementing operation

    SciTech Connect (OSTI)

    Barton, N.A.; Archer, G.L. ); Seymour, D.A. )

    1994-09-26

    The use of computational fluid dynamics (CFD), an analytical tool for studying fluid mechanics, helped plan the successful cementing of a critical liner in a North Sea extended reach well. The results from CFD analysis increased the confidence in the primary cementing of the liner. CFD modeling was used to quantify the effects of increasing the displacement rate and of rotating the liner on the mud flow distribution in the annulus around the liner.

  16. Parallel Molecular Dynamics Program for Molecules

    Energy Science and Technology Software Center (OSTI)

    1995-03-07

    ParBond is a parallel classical molecular dynamics code that models bonded molecular systems, typically of an organic nature. It uses classical force fields for both non-bonded Coulombic and Van der Waals interactions and for 2-, 3-, and 4-body bonded (bond, angle, dihedral, and improper) interactions. It integrates Newton''s equation of motion for the molecular system and evaluates various thermodynamical properties of the system as it progresses.

  17. Slow Dynamics of Orbital Domains in Manganite

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

    Slow Dynamics of Orbital Domains in Manganite Print At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the correlated motion of groups of self-assembled, outer-lying electrons in the extremely complex electronic system found in manganites. The manganite family of materials has puzzled physicists for years by defying standard models for the motion of electrons in crystals. By controlling the properties of the incident x rays, the

  18. Slow Dynamics of Orbital Domains in Manganite

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

    Slow Dynamics of Orbital Domains in Manganite Print At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the correlated motion of groups of self-assembled, outer-lying electrons in the extremely complex electronic system found in manganites. The manganite family of materials has puzzled physicists for years by defying standard models for the motion of electrons in crystals. By controlling the properties of the incident x rays, the

  19. Slow Dynamics of Orbital Domains in Manganite

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

    Slow Dynamics of Orbital Domains in Manganite Print At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the correlated motion of groups of self-assembled, outer-lying electrons in the extremely complex electronic system found in manganites. The manganite family of materials has puzzled physicists for years by defying standard models for the motion of electrons in crystals. By controlling the properties of the incident x rays, the

  20. Slow Dynamics of Orbital Domains in Manganite

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

    Slow Dynamics of Orbital Domains in Manganite Print At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the correlated motion of groups of self-assembled, outer-lying electrons in the extremely complex electronic system found in manganites. The manganite family of materials has puzzled physicists for years by defying standard models for the motion of electrons in crystals. By controlling the properties of the incident x rays, the

  1. Slow Dynamics of Orbital Domains in Manganite

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

    Slow Dynamics of Orbital Domains in Manganite Print At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the correlated motion of groups of self-assembled, outer-lying electrons in the extremely complex electronic system found in manganites. The manganite family of materials has puzzled physicists for years by defying standard models for the motion of electrons in crystals. By controlling the properties of the incident x rays, the

  2. Slow Dynamics of Orbital Domains in Manganite

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

    Slow Dynamics of Orbital Domains in Manganite Print At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the correlated motion of groups of self-assembled, outer-lying electrons in the extremely complex electronic system found in manganites. The manganite family of materials has puzzled physicists for years by defying standard models for the motion of electrons in crystals. By controlling the properties of the incident x rays, the

  3. Roaming Molecule Dynamics

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

    Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing ... Heavy Duty Fuels DISI Combustion HCCISCCI Fundamentals Spray Combustion Modeling ...

  4. Entanglement dynamics in chaotic systems

    SciTech Connect (OSTI)

    Ghose, Shohini [Institute for Quantum Information Science, University of Calgary, Alberta, T2N 1N4 (Canada); Department of Physics and Astronomy, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Sanders, Barry C. [Institute for Quantum Information Science, University of Calgary, Alberta, T2N 1N4 (Canada); Centre for Quantum Computer Technology, Macquarie University, Sydney, New South Wales (Australia)

    2004-12-01

    We study quantum chaos for systems with more than one degree of freedom, for which we present an analysis of the dynamics of entanglement. Our analysis explains the main features of entanglement dynamics and identifies entanglement-based signatures of quantum chaos. We discuss entanglement dynamics for a feasible experiment involving an atom in a magneto-optical trap and compare the results with entanglement dynamics for the well-studied quantum kicked top.

  5. Roaming Molecule Dynamics

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

    Roaming Molecule Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced

  6. Beam Dynamics for ARIA

    SciTech Connect (OSTI)

    Ekdahl, Carl August Jr.

    2014-10-14

    Beam dynamics issues are assessed for a new linear induction electron accelerator being designed for flash radiography of large explosively driven hydrodynamic experiments. Special attention is paid to equilibrium beam transport, possible emittance growth, and beam stability. It is concluded that a radiographic quality beam will be produced possible if engineering standards and construction details are equivalent to those on the present radiography accelerators at Los Alamos.

  7. Dynamic radioactive particle source

    DOE Patents [OSTI]

    Moore, Murray E.; Gauss, Adam Benjamin; Justus, Alan Lawrence

    2012-06-26

    A method and apparatus for providing a timed, synchronized dynamic alpha or beta particle source for testing the response of continuous air monitors (CAMs) for airborne alpha or beta emitters is provided. The method includes providing a radioactive source; placing the radioactive source inside the detection volume of a CAM; and introducing an alpha or beta-emitting isotope while the CAM is in a normal functioning mode.

  8. From the Building to the Grid: An Energy Revolution and Modeling...

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

    important. * If we model a whole country, no need for detailed response, but need to know dynamic response. Sophisticated models are not required. * Models should be optimized for...

  9. Application of optimal prediction to molecular dynamics

    SciTech Connect (OSTI)

    Barber IV, John Letherman

    2004-12-01

    Optimal prediction is a general system reduction technique for large sets of differential equations. In this method, which was devised by Chorin, Hald, Kast, Kupferman, and Levy, a projection operator formalism is used to construct a smaller system of equations governing the dynamics of a subset of the original degrees of freedom. This reduced system consists of an effective Hamiltonian dynamics, augmented by an integral memory term and a random noise term. Molecular dynamics is a method for simulating large systems of interacting fluid particles. In this thesis, I construct a formalism for applying optimal prediction to molecular dynamics, producing reduced systems from which the properties of the original system can be recovered. These reduced systems require significantly less computational time than the original system. I initially consider first-order optimal prediction, in which the memory and noise terms are neglected. I construct a pair approximation to the renormalized potential, and ignore three-particle and higher interactions. This produces a reduced system that correctly reproduces static properties of the original system, such as energy and pressure, at low-to-moderate densities. However, it fails to capture dynamical quantities, such as autocorrelation functions. I next derive a short-memory approximation, in which the memory term is represented as a linear frictional force with configuration-dependent coefficients. This allows the use of a Fokker-Planck equation to show that, in this regime, the noise is {delta}-correlated in time. This linear friction model reproduces not only the static properties of the original system, but also the autocorrelation functions of dynamical variables.

  10. Energy efficiency of a dynamic glazing system

    SciTech Connect (OSTI)

    Lollini, R.; Danza, L.; Meroni, I.

    2010-04-15

    The reduction of air-conditioning energy consumptions is one of the main indicators to act on when improving the energy efficiency in buildings. In the case of advanced technological buildings, a meaningful contribution to the thermal loads and the energy consumptions reduction could depend on the correct configuration and management of the envelope systems. In recent years, the architectural trend toward highly transparent all-glass buildings presents a unique challenge and opportunity to advance the market for emerging, smart, dynamic window and dimmable daylighting control technologies (). A prototype dynamic glazing system was developed and tested at ITC-CNR; it is aimed at actively responding to the external environmental loads. Both an experimental campaign and analyses by theoretical models were carried out, aimed at evaluating the possible configurations depending on different weather conditions in several possible places. Therefore, the analytical models of the building-plant system were defined by using a dynamic energy simulation software (EnergyPlus). The variables that determine the system performance, also influenced by the boundary conditions, were analysed, such as U- and g-value; they concern both the morphology of the envelope system, such as dimensions, shading and glazing type, gap airflow thickness, in-gap airflow rate, and management, in terms of control algorithm parameters tuning fan and shading systems, as a function of the weather conditions. The configuration able to provide the best performances was finally identified by also assessing such performances, integrating the dynamic system in several building types and under different weather conditions. The dynamic envelope system prototype has become a commercial product with some applications in facade systems, curtain walls and windows. The paper describes the methodological approach to prototype development and the main results obtained, including simulations of possible applications on

  11. Dynamic data filtering system and method

    DOE Patents [OSTI]

    Bickford, Randall L; Palnitkar, Rahul M

    2014-04-29

    A computer-implemented dynamic data filtering system and method for selectively choosing operating data of a monitored asset that modifies or expands a learned scope of an empirical model of normal operation of the monitored asset while simultaneously rejecting operating data of the monitored asset that is indicative of excessive degradation or impending failure of the monitored asset, and utilizing the selectively chosen data for adaptively recalibrating the empirical model to more accurately monitor asset aging changes or operating condition changes of the monitored asset.

  12. Ion-ion dynamic structure factor of warm dense mixtures

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

    Gill, N. M.; Heinonen, R. A.; Starrett, C. E.; Saumon, D.

    2015-06-25

    In this study, the ion-ion dynamic structure factor of warm dense matter is determined using the recently developed pseudoatom molecular dynamics method [Starrett et al., Phys. Rev. E 91, 013104 (2015)]. The method uses density functional theory to determine ion-ion pair interaction potentials that have no free parameters. These potentials are used in classical molecular dynamics simulations. This constitutes a computationally efficient and realistic model of dense plasmas. Comparison with recently published simulations of the ion-ion dynamic structure factor and sound speed of warm dense aluminum finds good to reasonable agreement. Using this method, we make predictions of the ion-ionmore » dynamical structure factor and sound speed of a warm dense mixture—equimolar carbon-hydrogen. This material is commonly used as an ablator in inertial confinement fusion capsules, and our results are amenable to direct experimental measurement.« less

  13. Ion-ion dynamic structure factor of warm dense mixtures

    SciTech Connect (OSTI)

    Gill, N. M.; Heinonen, R. A.; Starrett, C. E.; Saumon, D.

    2015-06-25

    In this study, the ion-ion dynamic structure factor of warm dense matter is determined using the recently developed pseudoatom molecular dynamics method [Starrett et al., Phys. Rev. E 91, 013104 (2015)]. The method uses density functional theory to determine ion-ion pair interaction potentials that have no free parameters. These potentials are used in classical molecular dynamics simulations. This constitutes a computationally efficient and realistic model of dense plasmas. Comparison with recently published simulations of the ion-ion dynamic structure factor and sound speed of warm dense aluminum finds good to reasonable agreement. Using this method, we make predictions of the ion-ion dynamical structure factor and sound speed of a warm dense mixture—equimolar carbon-hydrogen. This material is commonly used as an ablator in inertial confinement fusion capsules, and our results are amenable to direct experimental measurement.

  14. Fluid Dynamics in Sucker Rod Pumps Cutler, R.P.; Mansure, A.J...

    Office of Scientific and Technical Information (OSTI)

    Fluid Dynamics in Sucker Rod Pumps Cutler, R.P.; Mansure, A.J. 02 PETROLEUM; FLOW MODELS; MATHEMATICAL MODELS; OIL WELLS; PETROLEUM; ROD PUMPS; SANDIA NATIONAL LABORATORIES Sucker...

  15. Matching pre-equilibrium dynamics and viscous hydrodynamics

    SciTech Connect (OSTI)

    Martinez, Mauricio; Strickland, Michael

    2010-02-15

    We demonstrate how to match pre-equilibrium dynamics of a 0+1-dimensional quark-gluon plasma to second-order viscous hydrodynamical evolution. The matching allows us to specify the initial values of the energy density and shear tensor at the initial time of hydrodynamical evolution as a function of the lifetime of the pre-equilibrium period. We compare two models for pre-equilibrium quark-gluon plasma, longitudinal free streaming and collisionally broadened longitudinal expansion, and present analytic formulas that can be used to fix the necessary components of the energy-momentum tensor. The resulting dynamical models can be used to assess the effect of pre-equilibrium dynamics on quark-gluon plasma observables. Additionally, we investigate the dependence of entropy production on pre-equilibrium dynamics and discuss the limitations of the standard definitions of nonequilibrium entropy.

  16. Studies in combustion dynamics

    SciTech Connect (OSTI)

    Koszykowski, M.L.

    1993-12-01

    The goal of this program is to develop a fundamental understanding and a quantitative predictive capability in combustion modeling. A large part of the understanding of the chemistry of combustion processes comes from {open_quotes}chemical kinetic modeling.{close_quotes} However, successful modeling is not an isolated activity. It necessarily involves the integration of methods and results from several diverse disciplines and activities including theoretical chemistry, elementary reaction kinetics, fluid mechanics and computational science. Recently the authors have developed and utilized new tools for parallel processing to implement the first numerical model of a turbulent diffusion flame including a {open_quotes}full{close_quotes} chemical mechanism.

  17. Dynamic Underground Stripping Project

    SciTech Connect (OSTI)

    Aines, R.; Newmark, R.; McConachie, W.; Udell, K.; Rice, D.; Ramirez, A.; Siegel, W.; Buettner, M.; Daily, W.; Krauter, P.; Folsom, E.; Boegel, A.J.; Bishop, D.; Udell, K.

    1992-01-01

    LLNL is collaborating with the UC Berkeley College of Engineering to develop and demonstrate a system of thermal remediation and underground imaging techniques for use in rapid cleanup of localized underground spills. Called ``Dynamic Stripping`` to reflect the rapid and controllable nature of the process, it will combine steam injection, direct electrical heating, and tomographic geophysical imaging in a cleanup of the LLNL gasoline spill. In the first 8 months of the project, a Clean Site engineering test was conducted to prove the field application of the techniques before moving the contaminated site in FY 92.

  18. Input File Creation for the Molecular Dynamics Program LAMMPS.

    Energy Science and Technology Software Center (OSTI)

    2001-05-30

    The program creates an input data file for the molecular dynamics program LAMMPS. The input file created is a liquid mixture between two walls explicitly composed of particles. The liquid molecules are modeled as a bead-spring molecule. The input data file specifies the position and topology of the starting state. The data structure of input allows for dynamic bond creation (cross-linking) within the LAMMPS code.

  19. Effective quantum dynamics of interacting systems with inhomogeneous coupling

    SciTech Connect (OSTI)

    Lopez, C. E.; Retamal, J. C.; Christ, H.; Solano, E.

    2007-03-15

    We study the quantum dynamics of a single mode (particle) interacting inhomogeneously with a large number of particles and introduce an effective approach to find the accessible Hilbert space, where the dynamics takes place. Two relevant examples are given: the inhomogeneous Tavis-Cummings model (e.g., N atomic qubits coupled to a single cavity mode, or to a motional mode in trapped ions) and the inhomogeneous coupling of an electron spin to N nuclear spins in a quantum dot.

  20. Entropy of Liquid Water from Ab Initio Molecular Dynamics | Argonne

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

    Leadership Computing Facility Entropy of Liquid Water from Ab Initio Molecular Dynamics Authors: Zhang, C., Spanu,L., Galli, G. We have computed the entropy of liquid water using a two-phase thermodynamic model and trajectories generated by ab initio molecular dynamics simulations. We present the results obtained with semilocal, hybrid, and van der Waals density functionals. We show that in all cases, at the experimental equilibrium density and at temperatures in the vicinity of 300 K, the

  1. Bichromatic emission and multimode dynamics in bidirectional ring lasers

    SciTech Connect (OSTI)

    Perez-Serrano, Antonio; Javaloyes, Julien; Balle, Salvador

    2010-04-15

    The multimode dynamics of a two-level ring laser is explored numerically using a bidirectional traveling wave model retaining the spatial effects due to the presence of counter-propagating electric fields in the population inversion. Dynamical regimes where the emission in each direction occurs at different wavelengths are studied. Mode-locked unidirectional emission for large gain bandwidth and relatively small detuning is reported.

  2. Quantum field theory of classically unstable Hamiltonian dynamics

    SciTech Connect (OSTI)

    Strauss, Y.; Horwitz, L. P.; Levitan, J.; Yahalom, A.

    2015-07-15

    We study a class of dynamical systems for which the motions can be described in terms of geodesics on a manifold (ordinary potential models can be cast into this form by means of a conformal map). It is rigorously proven that the geodesic deviation equation of Jacobi, constructed with a second covariant derivative, is unitarily equivalent to that of a parametric harmonic oscillator, and we study the second quantization of this oscillator. The excitations of the Fock space modes correspond to the emission and absorption of quanta into the dynamical medium, thus associating unstable behavior of the dynamical system with calculable fluctuations in an ensemble with possible thermodynamic consequences.

  3. Dynamic simulation gives 20-20 foresight

    SciTech Connect (OSTI)

    Womack, J.W.

    1986-04-07

    Dynamic simulation is being increasingly recognized as a viable tool for system analysis and design. Its use by Mobil Research and Development Corp. (MRDC) has grown steadily. Applications fall into three major categories: Support of major capital projects, mostly in the form of high-fidelity models capable of answering many of the ''what-if'' questions which arise during the engineering design, construction, and commissioning phases of a project; Simulators for operator training, which have been acquired for an increasing fraction of both new and existing facilities over the past 10 years; Solution of operational problems, evaluate process changes, and in debottlenecking studies of existing facilities. A number of dynamic simulations have been done by contractors or system vendors. MRDC involvement was limited to review and/or acceptance of the work. MRDC did not write any of the training simulator programs, for example, although its inputs often influenced their development.

  4. Numerical Cosmology: Building a Dynamical Universe

    SciTech Connect (OSTI)

    Garrison, David

    2010-10-11

    In this talk I discuss an often over-looked aspect of most cosmological models, dynamical interactions caused by gravitational waves. I begin by reviewing our current state of cosmological knowledge and gravitational waves. Then, I review work done to understand the nature of primordial magnetic fields. Finally, I combine the ideas of gravitational wave theory and plasma turbulence to develop a new theory of cosmic structure formation. Eventually, this work could help to explain the distribution of mass-energy in the observable universe as well as the anisotropies in the Cosmic Microwave Background without a heavy dependence on dark matter. This work seeks to explain how the dense, hot, turbulent plasma of protons, neutrons, electrons and neutrinos cooled in the presence of gravitational waves to form into structures and develop a statistical mechanics to describe this dynamical system.

  5. Dynamic pathways for viral capsid assembly

    SciTech Connect (OSTI)

    Hagan, Michael F.; Chandler, David

    2006-02-09

    We develop a class of models with which we simulate the assembly of particles into T1 capsid-like objects using Newtonian dynamics. By simulating assembly for many different values of system parameters, we vary the forces that drive assembly. For some ranges of parameters, assembly is facile, while for others, assembly is dynamically frustrated by kinetic traps corresponding to malformed or incompletely formed capsids. Our simulations sample many independent trajectories at various capsomer concentrations, allowing for statistically meaningful conclusions. Depending on subunit (i.e., capsomer) geometries, successful assembly proceeds by several mechanisms involving binding of intermediates of various sizes. We discuss the relationship between these mechanisms and experimental evaluations of capsid assembly processes.

  6. From Entropic Dynamics to Quantum Theory

    SciTech Connect (OSTI)

    Caticha, Ariel

    2009-12-08

    Non-relativistic quantum theory is derived from information codified into an appropriate statistical model. The basic assumption is that there is an irreducible uncertainty in the location of particles so that the configuration space is a statistical manifold. The dynamics then follows from a principle of inference, the method of Maximum Entropy. The concept of time is introduced as a convenient way to keep track of change. The resulting theory resembles both Nelson's stochastic mechanics and general relativity. The statistical manifold is a dynamical entity: its geometry determines the evolution of the probability distribution which, in its turn, reacts back and determines the evolution of the geometry. There is a new quantum version of the equivalence principle: 'osmotic' mass equals inertial mass. Mass and the phase of the wave function are explained as features of purely statistical origin.

  7. Los Alamos Dynamics Summer School

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

    Los Alamos Dynamics Summer School » Los Alamos Dynamics Summer School The Seventeenth Los Alamos Dynamics Summer School Program Information and Application Process Contact Institute Director Charles Farrar (505) 665-0860 Email Executive Administrator Ellie Vigil (505) 667-2718 Email Administrative Assistant Rebecca Duran (505) 665-8899 Email How to Apply Students should email the following documents to LADSSApply@lanl.gov Application Form (pdf) A one-page cover letter describing your interest

  8. Los Alamos Dynamics Summer School

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

    Los Alamos Dynamics Summer School The Seventeenth Los Alamos Dynamics Summer School School overview and focus. Contact Institute Director Charles Farrar (505) 665-0860 Email Executive Administrator Ellie Vigil (505) 667-2818 Email Administrative Assistant Rebecca Duran (505) 665-8899 Email The Los Alamos Dynamics Summer School is a very selective summer school in which top upper-level US-citizen undergraduate students from universities around the nation attend lectures and work in teams of three

  9. Dynamics, Spectral Geometry and Topology

    SciTech Connect (OSTI)

    Burghelea, Dan

    2011-02-10

    The paper is an informal report on joint work with Stefan Haller on Dynamics in relation with Topology and Spectral Geometry. By dynamics one means a smooth vector field on a closed smooth manifold; the elements of dynamics of concern are the rest points, instantons and closed trajectories. One discusses their counting in the case of a generic vector field which has some additional properties satisfied by a still very large class of vector fields.

  10. Look-ahead Dynamic Simulation

    Energy Science and Technology Software Center (OSTI)

    2015-10-20

    Look-ahead dynamic simulation software system incorporates the high performance parallel computing technologies, significantly reduces the solution time for each transient simulation case, and brings the dynamic simulation analysis into on-line applications to enable more transparency for better reliability and asset utilization. It takes the snapshot of the current power grid status, functions in parallel computing the system dynamic simulation, and outputs the transient response of the power system in real time.

  11. Quantum emitters dynamically coupled to a quantum field

    SciTech Connect (OSTI)

    Acevedo, O. L.; Quiroga, L.; Rodrguez, F. J.; Johnson, N. F.

    2013-12-04

    We study theoretically the dynamical response of a set of solid-state quantum emitters arbitrarily coupled to a single-mode microcavity system. Ramping the matter-field coupling strength in round trips, we quantify the hysteresis or irreversible quantum dynamics. The matter-field system is modeled as a finite-size Dicke model which has previously been used to describe equilibrium (including quantum phase transition) properties of systems such as quantum dots in a microcavity. Here we extend this model to address non-equilibrium situations. Analyzing the systems quantum fidelity, we find that the near-adiabatic regime exhibits the richest phenomena, with a strong asymmetry in the internal collective dynamics depending on which phase is chosen as the starting point. We also explore signatures of the crossing of the critical points on the radiation subsystem by monitoring its Wigner function; then, the subsystem can exhibit the emergence of non-classicality and complexity.

  12. Collaborative Research. Damage and Burst Dynamics in Failure of Complex Geomaterials. A Statistical Physics Approach to Understanding the Complex Emergent Dynamics in Near Mean-Field Geological Materials

    SciTech Connect (OSTI)

    Rundle, John B.; Klein, William

    2015-09-29

    We have carried out research to determine the dynamics of failure in complex geomaterials, specifically focusing on the role of defects, damage and asperities in the catastrophic failure processes (now popularly termed “Black Swan events”). We have examined fracture branching and flow processes using models for invasion percolation, focusing particularly on the dynamics of bursts in the branching process. We have achieved a fundamental understanding of the dynamics of nucleation in complex geomaterials, specifically in the presence of inhomogeneous structures.

  13. Los Alamos Dynamics Summer School

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

    The Seventeenth Los Alamos Dynamics Summer School Program Information and Application Process Contact Institute Director Charles Farrar (505) 663-5330 Email Executive...

  14. Dynamic bed reactor

    DOE Patents [OSTI]

    Stormo, Keith E. (Moscow, ID)

    1996-07-02

    A dynamic bed reactor is disclosed in which a compressible open cell foam matrix is periodically compressed and expanded to move a liquid or fluid through the matrix. In preferred embodiments, the matrix contains an active material such as an enzyme, biological cell, chelating agent, oligonucleotide, adsorbent or other material that acts upon the liquid or fluid passing through the matrix. The active material may be physically immobilized in the matrix, or attached by covalent or ionic bonds. Microbeads, substantially all of which have diameters less than 50 microns, can be used to immobilize the active material in the matrix and further improve reactor efficiency. A particularly preferred matrix is made of open cell polyurethane foam, which adsorbs pollutants such as polychlorophenol or o-nitrophenol. The reactors of the present invention allow unidirectional non-laminar flow through the matrix, and promote intimate exposure of liquid reactants to active agents such as microorganisms immobilized in the matrix.

  15. A Review of Dynamic Generator Reduction Methods For Transient Stability Studies

    SciTech Connect (OSTI)

    Singh, Ruchi; Elizondo, Marcelo A.; Lu, Shuai

    2011-10-10

    Due to the complex interconnected nature of power system, aggregate or reduced system is commonly used by operators and engineers for various power system studies. Transient stability studies need dynamically reduced models to include the dynamic effects of the generating units. Dynamic generator reduction is therefore an important component of power system dynamic reduction. The many different methods for generator reduction in power systems taken from the earliest available literature are discussed. This paper aims to provide an easy reference to researchers interested in exploring dynamic reduction of power systems.

  16. Polarizability effects on the structure and dynamics of ionic liquids

    SciTech Connect (OSTI)

    Cavalcante, Ary de Oliveira; Ribeiro, Mauro C. C.; Skaf, Munir S.

    2014-04-14

    Polarization effects on the structure and dynamics of ionic liquids are investigated using molecular dynamics simulations. Four different ionic liquids were simulated, formed by the anions Cl{sup ?} and PF{sub 6}{sup ?}, treated as single fixed charge sites, and the 1-n-alkyl-3-methylimidazolium cations (1-ethyl and 1-butyl-), which are polarizable. The partial charge fluctuation of the cations is provided by the electronegativity equalization model (EEM) and a complete parameter set for the cations electronegativity (?) and hardness (J) is presented. Results obtained from a non-polarizable model for the cations are also reported for comparison. Relative to the fixed charged model, the equilibrium structure of the first solvation shell around the imidazolium cations shows that inclusion of EEM polarization forces brings cations closer to each other and that anions are preferentially distributed above and below the plane of the imidazolium ring. The polarizable model yields faster translational and reorientational dynamics than the fixed charges model in the rotational-diffusion regime. In this sense, the polarizable model dynamics is in better agreement with the experimental data.

  17. Open Automated Demand Response Dynamic Pricing Technologies and Demonstration

    SciTech Connect (OSTI)

    Ghatikar, Girish; Mathieu, Johanna L.; Piette, Mary Ann; Koch, Ed; Hennage, Dan

    2010-08-02

    This study examines the use of OpenADR communications specification, related data models, technologies, and strategies to send dynamic prices (e.g., real time prices and peak prices) and Time of Use (TOU) rates to commercial and industrial electricity customers. OpenADR v1.0 is a Web services-based flexible, open information model that has been used in California utilities' commercial automated demand response programs since 2007. We find that data models can be used to send real time prices. These same data models can also be used to support peak pricing and TOU rates. We present a data model that can accommodate all three types of rates. For demonstration purposes, the data models were generated from California Independent System Operator's real-time wholesale market prices, and a California utility's dynamic prices and TOU rates. Customers can respond to dynamic prices by either using the actual prices, or prices can be mapped into"operation modes," which can act as inputs to control systems. We present several different methods for mapping actual prices. Some of these methods were implemented in demonstration projects. The study results demonstrate show that OpenADR allows interoperability with existing/future systems/technologies and can be used within related dynamic pricing activities within Smart Grid.

  18. Dynamic Analysis of Nuclear Energy System Strategies

    Energy Science and Technology Software Center (OSTI)

    2004-06-17

    DANESS is an integrated process model for nuclear energy systems allowing the simulation of multiple reactors and fuel cycles in a continuously changing nuclear reactor park configuration. The model is energy demand driven and simulates all nuclear fuel cycle facilites, up to 10 reactors and fuels. Reactor and fuel cycle facility history are traced and the cost of generating energy is calculated per reactor and for total nuclear energy system. The DANESS model aims atmore » performing dynamic systems analysis of nuclear energy development used for integrated analysis of development paths for nuclear energy, parameter scoping for new nuclear energy systems, economic analysis of nuclear energy, government role analysis, and education.« less

  19. Dynamics on modular networks with heterogeneous correlations

    SciTech Connect (OSTI)

    Melnik, Sergey; Oxford Centre for Industrial and Applied Mathematics, Mathematical Institute, University of Oxford, Oxford OX2 6GG; CABDyN Complexity Centre, University of Oxford, Oxford OX1 1HP ; Porter, Mason A.; CABDyN Complexity Centre, University of Oxford, Oxford OX1 1HP ; Mucha, Peter J.; Institute for Advanced Materials, Nanoscience and Technology, University of North Carolina, Chapel Hill, North Carolina 27599-3216 ; Gleeson, James P.

    2014-06-15

    We develop a new ensemble of modular random graphs in which degree-degree correlations can be different in each module, and the inter-module connections are defined by the joint degree-degree distribution of nodes for each pair of modules. We present an analytical approach that allows one to analyze several types of binary dynamics operating on such networks, and we illustrate our approach using bond percolation, site percolation, and the Watts threshold model. The new network ensemble generalizes existing models (e.g., the well-known configuration model and Lancichinetti-Fortunato-Radicchi networks) by allowing a heterogeneous distribution of degree-degree correlations across modules, which is important for the consideration of nonidentical interacting networks.

  20. AMIP Simulation with the CAM4 Spectral Element Dynamical Core

    SciTech Connect (OSTI)

    Evans, Katherine J; Lauritzen, Peter; Mishra, Saroj; Neale, Rich; Taylor, Mark; Tribbia, Joe

    2013-01-01

    We evaluate the climate produced by the Community Earth System Model, version 1, running with the new spectral-element atmospheric dynamical core option. The spectral-element method is congured to use a cubed-sphere grid, providing quasi-uniform resolution over the sphere, increased parallel scalability and removing the need for polar filters. It uses a fourth order accurate spatial discretization which locally conserves mass and moist total energy. Using the Atmosphere Model Intercomparison Project protocol, we compare the results from the spectral-element dy- namical core with those produced by the default nite-volume dynamical core and with observations.

  1. Dynamics of dark energy with a coupling to dark matter

    SciTech Connect (OSTI)

    Boehmer, Christian G.; Caldera-Cabral, Gabriela; Maartens, Roy; Lazkoz, Ruth

    2008-07-15

    Dark energy and dark matter are the dominant sources in the evolution of the late universe. They are currently only indirectly detected via their gravitational effects, and there could be a coupling between them without violating observational constraints. We investigate the background dynamics when dark energy is modeled as exponential quintessence and is coupled to dark matter via simple models of energy exchange. We introduce a new form of dark sector coupling, which leads to a more complicated dynamical phase space and has a better physical motivation than previous mathematically similar couplings.

  2. Modeling & Analysis

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

    Facilities, Modeling, Modeling, Modeling & Analysis, Modeling & Analysis, Renewable Energy, Research & Capabilities, Wind Energy, Wind News Virtual LIDAR Model Helps Researchers ...

  3. Dynamic granularity of imaging systems

    SciTech Connect (OSTI)

    Geissel, Matthias; Smith, Ian C.; Shores, Jonathon E.; Porter, John L.

    2015-11-04

    Imaging systems that include a specific source, imaging concept, geometry, and detector have unique properties such as signal-to-noise ratio, dynamic range, spatial resolution, distortions, and contrast. Some of these properties are inherently connected, particularly dynamic range and spatial resolution. It must be emphasized that spatial resolution is not a single number but must be seen in the context of dynamic range and consequently is better described by a function or distribution. We introduce the “dynamic granularity” Gdyn as a standardized, objective relation between a detector’s spatial resolution (granularity) and dynamic range for complex imaging systems in a given environment rather than the widely found characterization of detectors such as cameras or films by themselves. We found that this relation can partly be explained through consideration of the signal’s photon statistics, background noise, and detector sensitivity, but a comprehensive description including some unpredictable data such as dust, damages, or an unknown spectral distribution will ultimately have to be based on measurements. Measured dynamic granularities can be objectively used to assess the limits of an imaging system’s performance including all contributing noise sources and to qualify the influence of alternative components within an imaging system. Our article explains the construction criteria to formulate a dynamic granularity and compares measured dynamic granularities for different detectors used in the X-ray backlighting scheme employed at Sandia’s Z-Backlighter facility.

  4. Dynamic granularity of imaging systems

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

    Geissel, Matthias; Smith, Ian C.; Shores, Jonathon E.; Porter, John L.

    2015-11-04

    Imaging systems that include a specific source, imaging concept, geometry, and detector have unique properties such as signal-to-noise ratio, dynamic range, spatial resolution, distortions, and contrast. Some of these properties are inherently connected, particularly dynamic range and spatial resolution. It must be emphasized that spatial resolution is not a single number but must be seen in the context of dynamic range and consequently is better described by a function or distribution. We introduce the “dynamic granularity” Gdyn as a standardized, objective relation between a detector’s spatial resolution (granularity) and dynamic range for complex imaging systems in a given environment rathermore » than the widely found characterization of detectors such as cameras or films by themselves. We found that this relation can partly be explained through consideration of the signal’s photon statistics, background noise, and detector sensitivity, but a comprehensive description including some unpredictable data such as dust, damages, or an unknown spectral distribution will ultimately have to be based on measurements. Measured dynamic granularities can be objectively used to assess the limits of an imaging system’s performance including all contributing noise sources and to qualify the influence of alternative components within an imaging system. Our article explains the construction criteria to formulate a dynamic granularity and compares measured dynamic granularities for different detectors used in the X-ray backlighting scheme employed at Sandia’s Z-Backlighter facility.« less

  5. Extensions to Dynamic System Simulation of Fissile Solution Systems

    SciTech Connect (OSTI)

    Klein, Steven Karl; Bernardin, John David; Kimpland, Robert Herbert; Spernjak, Dusan

    2015-08-24

    Previous reports have documented the results of applying dynamic system simulation (DSS) techniques to model a variety of fissile solution systems. The SUPO (Super Power) aqueous homogeneous reactor (AHR) was chosen as the benchmark for comparison of model results to experimental data for steadystate operation.1 Subsequently, DSS was applied to additional AHR to verify results obtained for SUPO and extend modeling to prompt critical excursions, ramp reactivity insertions of various magnitudes and rate, and boiling operations in SILENE and KEWB (Kinetic Experiment Water Boiler).2 Additional models for pressurized cores (HRE: Homogeneous Reactor Experiment), annular core geometries, and accelerator-driven subcritical systems (ADAHR) were developed and results reported.3 The focus of each of these models is core dynamics; neutron kinetics, thermal hydraulics, radiolytic gas generation and transport are coupled to examine the time-based evolution of these systems from start-up through transition to steady-state. A common characteristic of these models is the assumption that (a) core cooling system inlet temperature and flow and (b) plenum gas inlet pressure and flow are held constant; no external (to core) component operations that may result in dynamic change to these parameters are considered. This report discusses extension of models to include explicit reference to cooling structures and radiolytic gas handling. The accelerator-driven subcritical generic system model described in References 3 and 4 is used as a basis for this extension.

  6. System Impact Study of the Eastern Grid of Sumba Island, Indonesia: Steady-State and Dynamic System Modeling for the Integration of One and Two 850-kW Wind Turbine Generators

    SciTech Connect (OSTI)

    Oswal, R.; Jain, P.; Muljadi, Eduard; Hirsch, Brian; Castermans, B.; Chandra, J.; Raharjo, S.; Hardison, R.

    2016-01-01

    The goal of this project was to study the impact of integrating one and two 850-kW wind turbine generators into the eastern power system network of Sumba Island, Indonesia. A model was created for the 20-kV distribution network as it existed in the first quarter of 2015 with a peak load of 5.682 MW. Detailed data were collected for each element of the network. Load flow, short-circuit, and transient analyses were performed using DIgSILENT PowerFactory 15.2.1.

  7. High-performance First-principles Molecular Dynamics for Predictive Theory

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

    and Modeling Eric Schwegler is Prinicipal Investigator for High-performance First-principles Molecular Dynamics for Predictive Theory and Modeling. High-performance First-principles Molecular Dynamics for Predictive Theory and Modeling Research The focus of this project is on the development of a high-performance software infrastructure that combines large-scale FPMD with advanced spectroscopy and sampling algorithms.

  8. Laser dynamics with excited-state absorption

    SciTech Connect (OSTI)

    Sanchez, F.; Kellou, A.

    1997-01-01

    The dynamics of a laser with excited-state absorption at the lasing wavelength is theoretically studied. The model is based on the rate equations for a four-level system. The stationary state is analytically calculated, permitting both the investigation of the laser characteristics and linear stability analysis. The latter shows that, in some conditions, the steady state is not stable in a particular range of pumping rates. However, a stable solution is restored for sufficiently high pumping rates. Stable self-pulsing solutions are obtained by numerical integration of the coupled equations. Also, the transient regimes are numerically analyzed. {copyright} 1997 Optical Society of America.

  9. Optimal bolt preload for dynamic loading

    SciTech Connect (OSTI)

    Duffey, T.A.

    1992-08-01

    A simple spring-mass model is developed for closure bolting systems, including the effects of bolt prestress. An analytical solution is developed for the case of an initially peaked, exponentially decaying internal pressure pulse acting on the closure. The dependence of peak bolt stresses and deflections on bolt prestress level is investigated and an optimal prestress that minimizes peak bolt stress is found in certain cases. Vulnerability curves are developed for bolted-closure systems to provide rapid evaluation of the dynamic capacity of designs for a range in bolt prestress.

  10. Optimal bolt preload for dynamic loading

    SciTech Connect (OSTI)

    Duffey, T.A.

    1992-01-01

    A simple spring-mass model is developed for closure bolting systems, including the effects of bolt prestress. An analytical solution is developed for the case of an initially peaked, exponentially decaying internal pressure pulse acting on the closure. The dependence of peak bolt stresses and deflections on bolt prestress level is investigated and an optimal prestress that minimizes peak bolt stress is found in certain cases. Vulnerability curves are developed for bolted-closure systems to provide rapid evaluation of the dynamic capacity of designs for a range in bolt prestress.

  11. Electromagnetic imaging of dynamic brain activity

    SciTech Connect (OSTI)

    Mosher, J.; Leahy, R.; Lewis, P.; Lewine, J.; George, J.; Singh, M.

    1991-12-31

    Neural activity in the brain produces weak dynamic electromagnetic fields that can be measured by an array of sensors. Using a spatio-temporal modeling framework, we have developed a new approach to localization of multiple neural sources. This approach is based on the MUSIC algorithm originally developed for estimating the direction of arrival of signals impinging on a sensor array. We present applications of this technique to magnetic field measurements of a phantom and of a human evoked somatosensory response. The results of the somatosensory localization are mapped onto the brain anatomy obtained from magnetic resonance images.

  12. Homolumo gap from dynamical energy levels

    SciTech Connect (OSTI)

    Andric, I.; Jonke, L.; Jurman, D.; Nielsen, H. B.

    2009-11-15

    We introduce a dynamical matrix model where the matrix is interpreted as a Hamiltonian representing interaction of a bosonic system with a single fermion. We show how a system of second-quantized fermions influences the ground state of the whole system by producing a gap between the highest eigenvalue of the occupied single-fermion states and the lowest eigenvalue of the unoccupied single-fermion states. We describe the development of the gap in both the strong and weak coupling regimes, while for the intermediate coupling strength we expect formation of homolumo kinks.

  13. Optimisation of dynamic behaviour of mechanical structures

    SciTech Connect (OSTI)

    Shi, Y.H.; Esat, I.I.; Zhang, J.J.

    1996-12-31

    Dynamic behavior of structures is significant to engineering design. The strategy and implementation of structural design with minimum vibration amplitude at a specified point have been discussed in the paper. This is to attach and adjust a small mass point on the structure. To get around unwanted local minima rooted from the highly irregular objective function, a pre-search process is designed to complement a classical constrained non-linear programming algorithm, so that the global optimum is located. Remesh of the FEA model is performed with pre-designed templates of isoblockes.

  14. Finite Element Solver for Fission Dynamics

    Energy Science and Technology Software Center (OSTI)

    2015-01-30

    FELIX is a physics computer code used to model fission fragment mass distributions in a fully quantum-mechanical, misroscopic framework that only relies on our current knowledge of nuclear forces. It is an implementation of the time-dependent generator coordinate method (TDGCM), which simulates the dynamics of a collective quantum wave-packet assuming the motion is adiabatic. In typical applications of the TDGCM, the nuclear collective wavepacket is obtained as a superposition of wavefunctions obtained by solving themore » Hartree-Fock-Bogoliubov equations of nuclear density functional theory (DFT). The program calculates at each time step the coefficients of that superposition.« less

  15. Beam Dynamics Laboratory

    Energy Science and Technology Software Center (OSTI)

    1995-06-22

    Simple model of an accelerator as it is running can be interactively manipulated to observe the effects of the manipulations of particle motion. The system can be used to demonstrte effects such as decoherence, slow-extraction, resonance islands, coupling resonance and synchro-betatron coupling.

  16. Dynamic Fault Detection Chassis

    SciTech Connect (OSTI)

    Mize, Jeffery J

    2007-01-01

    Abstract The high frequency switching megawatt-class High Voltage Converter Modulator (HVCM) developed by Los Alamos National Laboratory for the Oak Ridge National Laboratory's Spallation Neutron Source (SNS) is now in operation. One of the major problems with the modulator systems is shoot-thru conditions that can occur in a IGBTs H-bridge topology resulting in large fault currents and device failure in a few microseconds. The Dynamic Fault Detection Chassis (DFDC) is a fault monitoring system; it monitors transformer flux saturation using a window comparator and dV/dt events on the cathode voltage caused by any abnormality such as capacitor breakdown, transformer primary turns shorts, or dielectric breakdown between the transformer primary and secondary. If faults are detected, the DFDC will inhibit the IGBT gate drives and shut the system down, significantly reducing the possibility of a shoot-thru condition or other equipment damaging events. In this paper, we will present system integration considerations, performance characteristics of the DFDC, and discuss its ability to significantly reduce costly down time for the entire facility.

  17. ICFA Beam Dynamics Newsletter

    SciTech Connect (OSTI)

    Ben-Zvi I.; Kuczewski A.; Altinbas, Z.; Beavis, D.; Belomestnykh,; Dai, J. et al

    2012-07-01

    The Collider-Accelerator Department at Brookhaven National Laboratory is building a high-brightness 500 mA capable Energy Recovery Linac (ERL) as one of its main R&D thrusts towards eRHIC, the polarized electron - hadron collider as an upgrade of the operating RHIC facility. The ERL is in final assembly stages, with injection commisioning starting in October 2012. The objective of this ERL is to serve as a platform for R&D into high current ERL, in particular issues of halo generation and control, Higher-Order Mode (HOM) issues, coherent emissions for the beam and high-brightness, high-power beam generation and preservation. The R&D ERL features a superconducting laser-photocathode RF gun with a high quantum efficiency photoccathode served with a load-lock cathode delivery system, a highly damped 5-cell accelerating cavity, a highly flexible single-pass loop and a comprehensive system of beam instrumentation. In this ICFA Beam Dynamics Newsletter article we will describe the ERL in a degree of detail that is not usually found in regular publications. We will discuss the various systems of the ERL, following the electrons from the photocathode to the beam dump, cover the control system, machine protection etc and summarize with the status of the ERL systems.

  18. Computational Fluid Dynamics Library

    Energy Science and Technology Software Center (OSTI)

    2005-03-04

    CFDLib05 is the Los Alamos Computational Fluid Dynamics LIBrary. This is a collection of hydrocodes using a common data structure and a common numerical method, for problems ranging from single-field, incompressible flow, to multi-species, multi-field, compressible flow. The data structure is multi-block, with a so-called structured grid in each block. The numerical method is a Finite-Volume scheme employing a state vector that is fully cell-centered. This means that the integral form of the conservation lawsmore » is solved on the physical domain that is represented by a mesh of control volumes. The typical control volume is an arbitrary quadrilateral in 2D and an arbitrary hexahedron in 3D. The Finite-Volume scheme is for time-unsteady flow and remains well coupled by means of time and space centered fluxes; if a steady state solution is required, the problem is integrated forward in time until the user is satisfied that the state is stationary.« less

  19. Community Atmosphere Model

    Energy Science and Technology Software Center (OSTI)

    2004-10-18

    The Community Atmosphere Model (CAM) is an atmospheric general circulation model that solves equations for atmospheric dynamics and physics. CAM is an outgrowth of the Community Climate Model at the National Center for Atmospheric Research (NCAR) and was developed as a joint collaborative effort between NCAR and several DOE laboratories, including LLNL. CAM contains several alternative approaches for advancing the atmospheric dynamics. One of these approaches uses a finite-volume method originally developed by personnel atmore » NASNGSFC, We have developed a scalable version of the finite-volume solver for massively parallel computing systems. FV-CAM is meant to be used in conjunction with the Community Atmosphere Model. It is not stand-alone.« less

  20. U32: Vehicle Stability and Dynamics: Longer Combination Vehicles

    SciTech Connect (OSTI)

    Petrolino, Joseph; Spezia, Tony; Arant, Michael; Broshears, Eric; Chitwood, Caleb; Colbert, Jameson; Hathaway, Richard; Keil, Mitch; LaClair, Tim J; Pape, Doug; Patterson, Jim; Pittro, Collin

    2011-01-01

    This study investigated the safety and stability of longer combination vehicles (LCVs), in particular a triple trailer combination behind a commercial tractor, which has more complicated dynamics than the more common tractor in combination with a single semitrailer. The goal was to measure and model the behavior of LCVs in simple maneuvers. Example maneuvers tested and modeled were single and double lane changes, a gradual lane change, and a constant radius curve. In addition to test track data collection and a brief highway test, two computer models of LCVs were developed. One model is based on TruckSim , a lumped parameter model widely used for single semitrailer combinations. The other model was built in Adams software, which more explicitly models the geometry of the components of the vehicle, in terms of compliant structural members. Among other results, the models were able to duplicate the experimentally measured rearward amplification behavior that is characteristic of multi-unit combination vehicles.

  1. Challenges for Long-Term Energy Models: Modeling Energy Use and Energy Efficiency

    U.S. Energy Information Administration (EIA) Indexed Site

    Long-Term Energy Models: Modeling Energy Use and Energy Efficiency James Sweeney Stanford University Director, Precourt Institute for Energy Efficiency Professor, Management Science and Engineering Presentation to EIA 2008 Energy Conference 34 ! Years of Energy Information and Analysis Some Modeling History * Original Federal Energy Administration Demand Models in PIES and IEES (1974) - Residential, Industrial, Commercial Sectors * Econometric models * Dynamic specification * Allowed matrix of

  2. Static & Dynamic Response of 2D Solids

    Energy Science and Technology Software Center (OSTI)

    1996-07-15

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surfacemore » contact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.« less

  3. Static & Dynamic Response of 2D Solids

    Energy Science and Technology Software Center (OSTI)

    1996-07-15

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surfacemorecontact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.less

  4. Beam Dynamics Challenges for the ILC

    SciTech Connect (OSTI)

    Kubo, Kiyoshi; Seryi, Andrei; Walker, Nicholas; Wolski, Andy; /Cockcroft Inst. Accel. Sci. Tech.

    2008-02-13

    The International Linear Collider (ILC) is a proposal for 500 GeV center-of-mass electron-positron collider, with a possible upgrade to {approx}1 TeV center-of-mass. At the heart of the ILC are the two {approx}12 km 1.3 GHz superconducting RF (SCRF) linacs which will accelerate the electron and positron beams to an initial maximum energy of 250 GeV each. The Global Design Effort (GDE)--responsible for the world-wide coordination of this uniquely international project--published the ILC Reference Design Report in August of 2007 [1]. The ILC outlined in the RDR design stands on a legacy of over fifteen-years of R&D. The GDE is currently beginning the next step in this ambitious project, namely an Engineering Design phase, which will culminate with the publication of an Engineering Design Report (EDR) in mid-2010. Throughout the history of linear collider development, beam dynamics has played an essential role. In particular, the need for complex computer simulations to predict the performance of the machine has always been crucial, not least because the parameters of the ILC represent in general a large extrapolation from where current machines operate today; many of the critical beam-dynamics features planned for the ILC can ultimately only be truly tested once the ILC has been constructed. It is for this reason that beam dynamics activities will continue to be crucial during the Engineering Design phase, as the available computer power and software techniques allow ever-more complex and realistic models of the machine to be developed. Complementary to the computer simulation efforts are the need for well-designed experiments at beam-test facilities, which--while not necessarily producing a direct demonstration of the ILC-like parameters for the reasons mentioned above--can provide important input and benchmarking for the computer models.

  5. Coherent neutron scattering and collective dynamics on mesoscale

    SciTech Connect (OSTI)

    Novikov, Vladimir; Schweizer, Kenneth S; Sokolov, Alexei P

    2013-01-01

    By combining, and modestly extending, a variety of theoretical concepts for the dynamics of liquids in the supercooled regime, we formulate a simple analytic model for the temperature and wavevector dependent collective density fluctuation relaxation time that is measurable using coherent dynamic neutron scattering. Comparison with experiments on the ionic glass-forming liquid Ca K NO3 in the lightly supercooled regime suggests the model captures the key physics in both the local cage and mesoscopic regimes, including the unusual wavevector dependence of the collective structural relaxation time. The model is consistent with the idea that the decoupling between diffusion and viscosity is reflected in a different temperature dependence of the collective relaxation time at intermediate wavevectors and near the main (cage) peak of the static structure factor. More generally, our analysis provides support for the ideas that decoupling information and growing dynamic length scales can be at least qualitatively deduced by analyzing the collective relaxation time as a function of temperature and wavevector, and that there is a strong link between dynamic heterogeneity phenomena at the single and many particle level. Though very simple, the model can be applied to other systems, such as molecular liquids.

  6. Gas-phase chemical dynamics

    SciTech Connect (OSTI)

    Weston, R.E. Jr.; Sears, T.J.; Preses, J.M.

    1993-12-01

    Research in this program is directed towards the spectroscopy of small free radicals and reactive molecules and the state-to-state dynamics of gas phase collision, energy transfer, and photodissociation phenomena. Work on several systems is summarized here.

  7. Fluid Dynamics with Free Surfaces

    Energy Science and Technology Software Center (OSTI)

    1992-02-01

    RIPPLE is a two-dimensional, transient, free surface incompressible fluid dynamics program. It allows multiple free surfaces with surface tension and wall adhesion forces and has a partial cell treatment which allows curved boundaries and interior obstacles.

  8. Dynamic Worldwide Solar Energy | Open Energy Information

    Open Energy Info (EERE)

    Worldwide Solar Energy Jump to: navigation, search Name: Dynamic Worldwide Solar Energy Sector: Solar Product: US-based solar developer and financer. References: Dynamic Worldwide...

  9. Soil Machine Dynamics Ltd | Open Energy Information

    Open Energy Info (EERE)

    Machine Dynamics Ltd Jump to: navigation, search Name: Soil Machine Dynamics Ltd Region: United Kingdom Sector: Marine and Hydrokinetic Website: http: This company is listed in the...

  10. Dynamic stall on wind turbine blades

    SciTech Connect (OSTI)

    Butterfield, C.P.; Simms, D.; Scott, G. ); Hansen, A.C. )

    1991-12-01

    Dynamic loads must be predicted accurately in order to estimate the fatigue life of wind turbines operating in turbulent environments. Dynamic stall contributes to increased dynamic loads during normal operation of all types of horizontal-axis wind turbine (HAWTs). This report illustrates how dynamic stall varies throughout the blade span of a 10 m HAWT during yawed and unyawed operating conditions. Lift, drag, and pitching moment coefficients during dynamics stall are discussed. Resulting dynamic loads are presented, and the effects of dynamic stall on yaw loads are demonstrated using a yaw loads dynamic analysis (YAWDYN). 12 refs., 22 figs., 1 tab.

  11. Magnetofluid dynamics in curved spacetime (Journal Article) ...

    Office of Scientific and Technical Information (OSTI)

    Magnetofluid dynamics in curved spacetime Citation Details In-Document Search Title: Magnetofluid dynamics in curved spacetime Authors: Bhattacharjee, Chinmoy ; Das, Rupam ; ...

  12. Middle Rio Grande Cooperative Water Model

    Energy Science and Technology Software Center (OSTI)

    2005-11-01

    This is computer simulation model built in a commercial modeling product Called Studio Expert, developed by Powersim, Inc. The simulation model is built in a system dynamics environment, allowing the simulation of the interaction among multiple systems that are all changing over time. The model focuses on hydrology, ecology, demography, and economy of the Middle Rio Grande, with Water as the unifying feature.

  13. Geothermal Reservoir Dynamics - TOUGHREACT

    SciTech Connect (OSTI)

    Pruess, Karsten; Xu, Tianfu; Shan, Chao; Zhang, Yingqi; Wu,Yu-Shu; Sonnenthal, Eric; Spycher, Nicolas; Rutqvist, Jonny; Zhang,Guoxiang; Kennedy, Mack

    2005-03-15

    This project has been active for several years and has focused on developing, enhancing and applying mathematical modeling capabilities for fractured geothermal systems. The emphasis of our work has recently shifted towards enhanced geothermal systems (EGS) and hot dry rock (HDR), and FY05 is the first year that the DOE-AOP actually lists this project under Enhanced Geothermal Systems. Our overall purpose is to develop new engineering tools and a better understanding of the coupling between fluid flow, heat transfer, chemical reactions, and rock-mechanical deformation, to demonstrate new EGS technology through field applications, and to make technical information and computer programs available for field applications. The objectives of this project are to: (1) Improve fundamental understanding and engineering methods for geothermal systems, primarily focusing on EGS and HDR systems and on critical issues in geothermal systems that are difficult to produce. (2) Improve techniques for characterizing reservoir conditions and processes through new modeling and monitoring techniques based on ''active'' tracers and coupled processes. (3) Improve techniques for targeting injection towards specific engineering objectives, including maintaining and controlling injectivity, controlling non-condensable and corrosive gases, avoiding scale formation, and optimizing energy recovery. Seek opportunities for field testing and applying new technologies, and work with industrial partners and other research organizations.

  14. The 2011 Dynamics of Molecular Collisions Conference

    SciTech Connect (OSTI)

    Nesbitt, David J.

    2011-07-11

    Yuan T. Lee & Professor George Schatz. Professor Lees research has been based on the development & use of advanced chemical kinetics & molecular beams to investigate & manipulate the behavior of fundamental chemical reactions. Lees work has been recognized by many awards, including the Nobel Prize for Chemistry in 1986, as well as Sloan Fellow, Dreyfus Scholar, Fellowship in the American Academy of Arts & Sciences, Fellowship in the American Physical Society, Guggenheim Fellow, Member National Academy of Sciences, Member Academia Sinica, E.O. Lawrence Award, Miller Professor, Berkeley, Fairchild Distinguished Scholar, Harrison Howe Award, Peter Debye Award, & the National Medal of Science. Lee also has served as the President of the Academia Sinica in Taiwan (ROC). Professor Schatzs research group is interested in using theory & computation to describe physical phenomena in a broad range of applications relevant to chemistry, physics, biology & engineering. Among the types of applications that we interested are: optical properties of nanoparticles & nanoparticle assemblies; using theory to model polymer properties; DNA structure, thermodynamics & dynamics; modeling self assembly & nanopatterning; & gas phase reaction dynamics. Among his many awards & distinctions have been appointment as an Alfred P. Sloan Research Fellow, Camille & Henry Dreyfus Teacher-Scholar, the Fresenius Award, Fellow of the American Physical Society, the Max Planck Research Award, Fellowship in the American Association for the Advancement of Science, & election to the International Academy of Quantum Molecular Sciences & the American Academy of Arts & Sciences. Dr Schatz is also lauded for his highly successful work as Editor for the Journal of Physical Chemistry. We requested $10,000 from DOE in support of this meeting. The money was distributed widely among the student & post doctoral fellows & some used to attract the very best scientists in the field. The organizers were committed to

  15. Modeling the Nuclear Fuel Cycle

    SciTech Connect (OSTI)

    Jacob J. Jacobson; A. M. Yacout; G. E. Matthern; S. J. Piet; A. Moisseytsev

    2005-07-01

    The Advanced Fuel Cycle Initiative is developing a system dynamics model as part of their broad systems analysis of future nuclear energy in the United States. The model will be used to analyze and compare various proposed technology deployment scenarios. The model will also give a better understanding of the linkages between the various components of the nuclear fuel cycle that includes uranium resources, reactor number and mix, nuclear fuel type and waste management. Each of these components is tightly connected to the nuclear fuel cycle but usually analyzed in isolation of the other parts. This model will attempt to bridge these components into a single model for analysis. This work is part of a multi-national laboratory effort between Argonne National Laboratory, Idaho National Laboratory and United States Department of Energy. This paper summarizes the basics of the system dynamics model and looks at some results from the model.

  16. Modern concepts in molecular modeling

    SciTech Connect (OSTI)

    Bajorath, J.; Klein, T.E.

    1996-12-31

    This session focused on the application of computer models and the development and application of various energy functions to study the structure, energetics and dynamics of proteins and their interactions with ligands. These studies provide an exciting view of current developments in computer-aided molecular modeling and theoretical analysis of biological molecules.

  17. Dynamics near QCD critical point by dynamic renormalization group

    SciTech Connect (OSTI)

    Minami, Yuki

    2011-05-01

    We work out the basic analysis on dynamics near the QCD critical point (CP) by the dynamic renormalization group (RG). In addition to the RG analysis by coarse-graining, we construct the nonlinear Langevin equation as a basic equation for the critical dynamics. Our construction is based on the generalized Langevin theory and the relativistic hydrodynamics. Applying the dynamic RG to the constructed equation, we derive the RG equation for the transport coefficients and analyze their critical behaviors. We find that the resulting RG equation turns out to be the same as that for the liquid-gas CP except for an insignificant constant. Therefore, the bulk viscosity and the thermal conductivity strongly diverge at the QCD CP. We also show that the thermal and viscous diffusion modes exhibit critical slowing down with the dynamic critical exponents z{sub thermal}{approx}3 and z{sub viscous}{approx}2, respectively. In contrast, the sound propagating mode shows critical speeding up with the negative exponent z{sub sound}{approx}-0.8.

  18. Imaging, Characterizing, and Modeling of Fracture Networks and...

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

    reservoir scale) - CFD: NETL's computational fluid dynamics code (modeling at the fracture ... eere.energy.gov * Our new imaging methods using passive and time-lapse active ...

  19. MAUI: Modeling, Analysis, and Ultrafast Imaging | Argonne National...

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

    interfaces. Our goal is to integrate ultrafast time-resolved imaging with large-scale molecular dynamics modeling and in situ data analysis and visualization. This will allow...

  20. Co-benefits Risk Assessment (COBRA) Screening Model | Open Energy...

    Open Energy Info (EERE)

    Ease of Use: Simple Website: www.epa.govstatelocalclimateresourcescobra.html Cost: Free Related Tools Applied Dynamic Analysis of the Global Economy (ADAGE) Model Simple...