National Library of Energy BETA

Sample records for distributed dynamic state

  1. Distributed Dynamic State Estimator, Generator Parameter Estimation and Stability Monitoring Demonstration

    SciTech Connect (OSTI)

    Meliopoulos, Sakis; Cokkinides, George; Fardanesh, Bruce; Hedrington, Clinton

    2013-12-31

    This is the final report for this project that was performed in the period: October1, 2009 to June 30, 2013. In this project, a fully distributed high-fidelity dynamic state estimator (DSE) that continuously tracks the real time dynamic model of a wide area system with update rates better than 60 times per second is achieved. The proposed technology is based on GPS-synchronized measurements but also utilizes data from all available Intelligent Electronic Devices in the system (numerical relays, digital fault recorders, digital meters, etc.). The distributed state estimator provides the real time model of the system not only the voltage phasors. The proposed system provides the infrastructure for a variety of applications and two very important applications (a) a high fidelity generating unit parameters estimation and (b) an energy function based transient stability monitoring of a wide area electric power system with predictive capability. Also the dynamic distributed state estimation results are stored (the storage scheme includes data and coincidental model) enabling an automatic reconstruction and “play back” of a system wide disturbance. This approach enables complete play back capability with fidelity equal to that of real time with the advantage of “playing back” at a user selected speed. The proposed technologies were developed and tested in the lab during the first 18 months of the project and then demonstrated on two actual systems, the USVI Water and Power Administration system and the New York Power Authority’s Blenheim-Gilboa pumped hydro plant in the last 18 months of the project. The four main thrusts of this project, mentioned above, are extremely important to the industry. The DSE with the achieved update rates (more than 60 times per second) provides a superior solution to the “grid visibility” question. The generator parameter identification method fills an important and practical need of the industry. The “energy function” based

  2. Multipartite secure state distribution

    SciTech Connect (OSTI)

    Duer, W.; Briegel, H.-J.; Calsamiglia, J.

    2005-04-01

    We introduce the distribution of a secret multipartite entangled state in a real-world scenario as a quantum primitive. We show that in the presence of noisy quantum channels (and noisy control operations), any state chosen from the set of two-colorable graph states (Calderbank-Shor-Steane codewords) can be created with high fidelity while it remains unknown to all parties. This is accomplished by either blind multipartite entanglement purification, which we introduce in this paper, or by multipartite entanglement purification of enlarged states, which offers advantages over an alternative scheme based on standard channel purification and teleportation. The parties are thus provided with a secret resource of their choice for distributed secure applications.

  3. State-to-state dynamics of molecular energy transfer

    SciTech Connect (OSTI)

    Gentry, W.R.; Giese, C.F.

    1993-12-01

    The goal of this research program is to elucidate the elementary dynamical mechanisms of vibrational and rotational energy transfer between molecules, at a quantum-state resolved level of detail. Molecular beam techniques are used to isolate individual molecular collisions, and to control the kinetic energy of collision. Lasers are used both to prepare specific quantum states prior to collision by stimulated-emission pumping (SEP), and to measure the distribution of quantum states in the collision products by laser-induced fluorescence (LIF). The results are interpreted in terms of dynamical models, which may be cast in a classical, semiclassical or quantum mechanical framework, as appropriate.

  4. simulate the dynamic distribution of lithium in the electrode

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

    simulate the dynamic distribution of lithium in the electrode - Sandia Energy Energy ... simulate the dynamic distribution of lithium in the electrode HomeTag:simulate the ...

  5. EIA - Distribution of U.S. Coal by Origin State

    U.S. Energy Information Administration (EIA) Indexed Site

    Origin State Glossary Home > Coal> Distribution of U.S. Coal by Origin State Distribution of U.S. Coal by Origin State Release Date: January 2006 Next Release Date: 2006...

  6. Domestic Distribution of U.S. Coal by Origin State,

    U.S. Energy Information Administration (EIA) Indexed Site

    of transportation. Also provided is a summary of foreign coal distribution by coal-exporting State. This Final 2008 Coal Distribution Report - Annual, supersedes the Preliminary...

  7. Domestic Distribution of U.S. Coal by Destination State,

    U.S. Energy Information Administration (EIA) Indexed Site

    of transportation. Also provided is a summary of foreign coal distribution by coal-exporting State. This Final 2008 Coal Distribution Report - Annual, supersedes the Preliminary...

  8. Domestic Coal Distribution 2009 Q1 by Destination State: Alabama

    U.S. Energy Information Administration (EIA) Indexed Site

    4 Domestic Coal Distribution 2009 Q1 by Destination State: Alabama (1000 Short Tons) 1 64 Domestic Coal Distribution 2009 Q1 by Destination State: Alabama (1000 Short Tons)...

  9. Domestic Coal Distribution 2009 Q2 by Destination State: Alabama

    U.S. Energy Information Administration (EIA) Indexed Site

    61 Domestic Coal Distribution 2009 Q2 by Destination State: Alabama (1000 Short Tons) 1 61 Domestic Coal Distribution 2009 Q2 by Destination State: Alabama (1000 Short Tons)...

  10. 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.

  11. Domestic Coal Distribution 2009 Q1 by Origin State: Alabama

    U.S. Energy Information Administration (EIA) Indexed Site

    Q1 by Origin State: Alabama (1000 Short Tons) 1 58 Domestic Coal Distribution 2009 Q1 by Origin State: Alabama (1000 Short Tons) Destination State Transportation Mode Electricity...

  12. Domestic Coal Distribution 2009 Q2 by Origin State: Alabama

    U.S. Energy Information Administration (EIA) Indexed Site

    Q2 by Origin State: Alabama (1000 Short Tons) 1 58 Domestic Coal Distribution 2009 Q2 by Origin State: Alabama (1000 Short Tons) Destination State Transportation Mode Electricity...

  13. Equilibrium Distribution of Heavy Quarks in Fokker-Planck Dynamics

    SciTech Connect (OSTI)

    Walton, D. Brian; Rafelski, Johann

    2000-01-03

    We obtain an explicit generalization, within Fokker-Planck dynamics, of Einstein's relation between drag, diffusion, and the equilibrium distribution for a spatially homogeneous system, considering both the transverse and longitudinal diffusion for dimension n>1 . We provide a complete characterization of the equilibrium distribution in terms of the drag and diffusion transport coefficients. We apply this analysis to charm quark dynamics in a thermal quark-gluon plasma for the case of collisional equilibration. (c) 1999 The American Physical Society.

  14. Portable lamp with dynamically controlled lighting distribution

    DOE Patents [OSTI]

    Siminovitch, Michael J.; Page, Erik R.

    2001-01-01

    A double lamp table or floor lamp lighting system has a pair of compact fluorescent lamps (CFLs) arranged vertically with a reflective septum in between. By selectively turning on one or both of the CFLs, down lighting, up lighting, or both up and down lighting is produced. The control system can also vary the light intensity from each CFL. The reflective septum insures that almost all the light produced by each lamp will be directed into the desired light distribution pattern which is selected and easily changed by the user. Planar compact fluorescent lamps, e.g. circular CFLs, particularly oriented horizontally, are preferable. CFLs provide energy efficiency. The lighting system may be designed for the home, hospitality, office or other environments.

  15. A Testbed for Deploying Distributed State Estimation in Power Grid

    SciTech Connect (OSTI)

    Jin, Shuangshuang; Chen, Yousu; Rice, Mark J.; Liu, Yan; Gorton, Ian

    2012-07-22

    Abstract—With the increasing demand, scale and data information of power systems, fast distributed applications are becoming more important in power system operation and control. This paper proposes a testbed for evaluating power system distributed applications, considering data exchange among distributed areas. A high-performance computing (HPC) version of distributed state estimation is implemented and used as a distributed application example. The IEEE 118-bus system is used to deploy the parallel distributed state estimation, and the MeDICi middleware is used for data communication. The performance of the testbed demonstrates its capability to evaluate parallel distributed state estimation by leveraging the HPC paradigm. This testbed can also be applied to evaluate other distributed applications.

  16. Mass distribution from a quark matter equation of state

    SciTech Connect (OSTI)

    Biro, T. S.; Levai, P.; Van, P.; Zimanyi, J.

    2007-03-15

    We analyze the equation of state in terms of quasiparticles with continuously distributed mass. We seek for a description of the entire pressure-temperature curve at vanishing chemical potential in terms of a temperature independent mass distribution. We point out properties indicating a mass gap in this distribution, conjectured to be related to confinement.

  17. Dynamic voltage compensation on distribution feeders using flywheel energy storage

    SciTech Connect (OSTI)

    Weissbach, R.S.; Karady, G.G.; Farmer, R.G.

    1999-04-01

    Advancements in power electronics bearings and materials have made flywheel energy storage systems a viable alternative to electrochemical batteries. A future application of such a device is as an uninterruptible power supply for critical loads on a distribution feeder. However, the same power electronics and flywheel system could also be used for dynamic voltage compensation. A comparison is made between series and parallel connection of such dynamic compensation techniques used to maintain rated load voltage on distribution feeders when there are momentary dips in the supply voltage. For each case a mathematical model is presented and analyzed. The two cases are compared and the series compensation technique is more effective.

  18. TRUMP. Transient & S-State Temperature Distribution

    SciTech Connect (OSTI)

    Elrod, D.C.; Turner, W.D.

    1992-03-03

    TRUMP solves a general nonlinear parabolic partial differential equation describing flow in various kinds of potential fields, such as fields of temperature, pressure, or electricity and magnetism; simultaneously, it will solve two additional equations representing, in thermal problems, heat production by decomposition of two reactants having rate constants with a general Arrhenius temperature dependence. Steady-state and transient flow in one, two, or three dimensions are considered in geometrical configurations having simple or complex shapes and structures. Problem parameters may vary with spatial position, time, or primary dependent variables, temperature, pressure, or field strength. Initial conditions may vary with spatial position, and among the criteria that may be specified for ending a problem are upper and lower limits on the size of the primary dependent variable, upper limits on the problem time or on the number of time-steps or on the computer time, and attainment of steady state.

  19. Photoionization dynamics of excited molecular states. Photoelectron angular distributions and rotational and vibrational branching ratios for H2 C ¹Πu, v=0–4

    SciTech Connect (OSTI)

    Pratt, Stephen T.; Dehmer, Patricia M.; Dehmer, Joseph L.

    1986-01-01

    Photoelectron angular distributions following three photonresonant, four photon (3+1) ionization of H2 via the C ¹Πu, v'=0-4←X ¹Σg⁺, v''= 0 Q(1) transitions are reported. The observed angular distributions are generally more isotropic for v⁺≠v' than for v⁺=v'. Photoelectron spectra obtained along the polarization axis of the laser following (3+1)= ionization via the C ¹Πu, v'= 4←X ¹Σg⁺, v"= 0 R(0) and R(1) transitions are also reported. These spectra are rotationally resolved and exhibit strongly v⁺-dependent rotational branching ratios. The comparison of the angular distribution data with available theoretical calculations indicates good agreement for some transitions and poor agreement for others, suggesting the need for substantial progress in understanding the photoionizationdynamics of even the simplest excited molecular states.

  20. Exited-state Dynamics of Water-Soluble Polythiophene Derivatives...

    Office of Scientific and Technical Information (OSTI)

    Dynamics of Water-Soluble Polythiophene Derivatives: Temperature and Side-chain Length Effects Citation Details In-Document Search Title: Exited-state Dynamics of Water-Soluble ...

  1. Solid-state Dynamics of Uranyl Polyoxometalates. (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Solid-state Dynamics of Uranyl Polyoxometalates. Citation Details In-Document Search Title: ... Publication Date: 2014-01-01 OSTI Identifier: 1140494 Report ...

  2. Numerical analysis of decoy state quantum key distribution protocols

    SciTech Connect (OSTI)

    Harrington, Jim W; Rice, Patrick R

    2008-01-01

    Decoy state protocols are a useful tool for many quantum key distribution systems implemented with weak coherent pulses, allowing significantly better secret bit rates and longer maximum distances. In this paper we present a method to numerically find optimal three-level protocols, and we examine how the secret bit rate and the optimized parameters are dependent on various system properties, such as session length, transmission loss, and visibility. Additionally, we show how to modify the decoy state analysis to handle partially distinguishable decoy states as well as uncertainty in the prepared intensities.

  3. Solid-state Dynamics of Uranyl Polyoxometalates. (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Solid-state Dynamics of Uranyl Polyoxometalates. Citation Details ... Publication Date: 2014-02-01 OSTI Identifier: 1141018 Report Number(s): SAND2014-1617J Journal ID: ISSN ...

  4. Decoy-state quantum key distribution using homodyne detection

    SciTech Connect (OSTI)

    Shams Mousavi, S. H.; Gallion, P.

    2009-07-15

    In this paper, we propose to use the decoy-state technique to improve the security of the quantum key distribution (QKD) systems based on homodyne detection against the photon number splitting attack. The decoy-state technique is a powerful tool that can significantly boost the secure transmission range of the QKD systems. However, it has not yet been applied to the systems that use homodyne detection. After adapting this theory to the systems based on homodyne detection, we quantify the secure performance and transmission range of the resulting system.

  5. Comparing of Normal Stress Distribution in Static and Dynamic Soil-Structure Interaction Analyses

    SciTech Connect (OSTI)

    Kholdebarin, Alireza; Massumi, Ali; Davoodi, Mohammad; Tabatabaiefar, Hamid Reza

    2008-07-08

    It is important to consider the vertical component of earthquake loading and inertia force in soil-structure interaction analyses. In most circumstances, design engineers are primarily concerned about the analysis of behavior of foundations subjected to earthquake-induced forces transmitted from the bedrock. In this research, a single rigid foundation with designated geometrical parameters located on sandy-clay soil has been modeled in FLAC software with Finite Different Method and subjected to three different vertical components of earthquake records. In these cases, it is important to evaluate effect of footing on underlying soil and to consider normal stress in soil with and without footing. The distribution of normal stress under the footing in static and dynamic states has been studied and compared. This Comparison indicated that, increasing in normal stress under the footing caused by vertical component of ground excitations, has decreased dynamic vertical settlement in comparison with static state.

  6. State-Level Comparison of Processes and Timelines for Distributed Photovoltaic Interconnection in the United States

    SciTech Connect (OSTI)

    Ardani, K.; Davidson, C.; Margolis, R.; Nobler, E.

    2015-01-01

    This report presents results from an analysis of distributed photovoltaic (PV) interconnection and deployment processes in the United States. Using data from more than 30,000 residential (up to 10 kilowatts) and small commercial (10-50 kilowatts) PV systems, installed from 2012 to 2014, we assess the range in project completion timelines nationally (across 87 utilities in 16 states) and in five states with active solar markets (Arizona, California, New Jersey, New York, and Colorado).

  7. Capturing Dynamics in the Power Grid: Formulation of Dynamic State Estimation through Data Assimilation

    SciTech Connect (OSTI)

    Zhou, Ning; Huang, Zhenyu; Meng, Da; Elbert, Stephen T.; Wang, Shaobu; Diao, Ruisheng

    2014-03-31

    With the increasing complexity resulting from uncertainties and stochastic variations introduced by intermittent renewable energy sources, responsive loads, mobile consumption of plug-in vehicles, and new market designs, more and more dynamic behaviors are observed in everyday power system operation. To operate a power system efficiently and reliably, it is critical to adopt a dynamic paradigm so that effective control actions can be taken in time. The dynamic paradigm needs to include three fundamental components: dynamic state estimation; look-ahead dynamic simulation; and dynamic contingency analysis (Figure 1). These three components answer three basic questions: where the system is; where the system is going; and how secure the system is against accidents. The dynamic state estimation provides a solid cornerstone to support the other 2 components and is the focus of this study.

  8. A State-Level Comparison of Processes and Timelines for Distributed Photovoltaic Interconnection in the United States

    SciTech Connect (OSTI)

    Ardani, K.; Davidson, C.; Margolis, R.; Nobler, E.

    2015-01-01

    This report presents results from an analysis of distributed photovoltaic (PV) interconnection and deployment processes in the United States.

  9. Universal dynamical decoupling of multiqubit states from environment

    SciTech Connect (OSTI)

    Jiang, Liang; Imambekov, Adilet

    2011-12-15

    We study the dynamical decoupling of multiqubit states from environment. For a system of m qubits, the nested Uhrig dynamical decoupling (NUDD) sequence can efficiently suppress generic decoherence induced by the system-environment interaction to order N using (N+1){sup 2m} pulses. We prove that the NUDD sequence is universal, i.e., it can restore the coherence of an m-qubit quantum system independent of the details of the system-environment interaction. We also construct a general mapping between dynamical decoupling problems and discrete quantum walks in certain functional spaces.

  10. Multi-State Load Models for Distribution System Analysis

    SciTech Connect (OSTI)

    Schneider, Kevin P.; Fuller, Jason C.; Chassin, David P.

    2011-11-01

    Recent work in the field of distribution system analysis has shown that the traditional method of peak load analysis is not adequate for the analysis of emerging distribution system technologies. Voltage optimization, demand response, electric vehicle charging, and energy storage are examples of technologies with characteristics having daily, seasonal, and/or annual variations. In addition to the seasonal variations, emerging technologies such as demand response and plug in electric vehicle charging have the potential to send control signals to the end use loads which will affect how they consume energy. In order to support time-series analysis over different time frames and to incorporate potential control signal inputs it is necessary to develop detailed end use load models which accurately represent the load under various conditions, and not just during the peak load period. This paper will build on previous work on detail end use load modeling in order to outline the method of general multi-state load models for distribution system analysis.

  11. U.S. Domestic and Foreign Coal Distribution by State of Origin

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

    (thousand short tons) Coal Exports Coal Origin State and Region Domestic Distribution By Coal Mines By Brokers & Traders* Total Exports Total Distribution Alabama 10,679.56...

  12. Domestic Distribution of U.S. Coal by Origin State, Consumer...

    U.S. Energy Information Administration (EIA) Indexed Site

    Origin State, Consumer, Destination and Method of Transportation Home > Coal > Annual Coal Distribution > Coal Origin Map > Domestic Distribution by Origin: Alaska Data For: 2002...

  13. U.S. Domestic and Foreign Coal Distribution by State of Origin

    U.S. Energy Information Administration (EIA) Indexed Site

    Domestic and Foreign Coal Distribution by State of Origin ...Energy Information Administration | Annual Coal Distribution Report 2014 U.S. Energy ...

  14. State machine analysis of sensor data from dynamic processes

    DOE Patents [OSTI]

    Cook, William R.; Brabson, John M.; Deland, Sharon M.

    2003-12-23

    A state machine model analyzes sensor data from dynamic processes at a facility to identify the actual processes that were performed at the facility during a period of interest for the purpose of remote facility inspection. An inspector can further input the expected operations into the state machine model and compare the expected, or declared, processes to the actual processes to identify undeclared processes at the facility. The state machine analysis enables the generation of knowledge about the state of the facility at all levels, from location of physical objects to complex operational concepts. Therefore, the state machine method and apparatus may benefit any agency or business with sensored facilities that stores or manipulates expensive, dangerous, or controlled materials or information.

  15. Electronic Structure and Excited State Dynamics in Biological and Nanoscale

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

    Systems | MIT-Harvard Center for Excitonics Electronic Structure and Excited State Dynamics in Biological and Nanoscale Systems February 25, 2009 at 3pm/36-428 Gregory D. Scholes Department of Chemistry, University of Toronto scholes2 abstract: After photoexcitation, energy absorbed by a molecule can be transferred efficiently over a distance of up to several tens of Ångstrom to another molecule by the process of resonance energy transfer, RET (also commonly known as electronic energy

  16. Sea quark transverse momentum distributions and dynamical chiral...

    Office of Scientific and Technical Information (OSTI)

    The qualitative difference between valence and sea quark intrinsic psub T. distributions ... May 2013 Publisher: World Scientific Research Org: Thomas Jefferson National ...

  17. Sea quark transverse momentum distributions and dynamical chiral symmetry breaking

    SciTech Connect (OSTI)

    Schweitzer, Peter; Strikman, Mark; Weiss, Christian

    2014-01-01

    Recent theoretical studies have provided new insight into the intrinsic transverse momentum distributions of valence and sea quarks in the nucleon at a low scale. The valence quark transverse momentum distributions (q - qbar) are governed by the nucleon's inverse hadronic size R{sup -1} ~ 0.2 GeV and drop steeply at large p{sub T}. The sea quark distributions (qbar) are in large part generated by non-perturbative chiral-symmetry breaking interactions and extend up to the scale rho{sup -1} ~ 0.6 GeV. These findings have many implications for modeling the initial conditions of perturbative QCD evolution of TMD distributions (starting scale, shape of p{sub T}. distributions, coordinate-space correlation functions). The qualitative difference between valence and sea quark intrinsic p{sub T}. distributions could be observed experimentally, by comparing the transverse momentum distributions of selected hadrons in semi-inclusive deep-inelastic scattering, or those of dileptons produced in pp and pbar-p scattering.

  18. Autonomous Dynamic Soaring Platform for Distributed Mobile Sensor Arrays

    SciTech Connect (OSTI)

    BOSLOUGH, MARK B. E.

    2002-06-01

    This project makes use of ''biomimetic behavioral engineering'' in which adaptive strategies used by animals in the real world are applied to the development of autonomous robots. The key elements of the biomimetic approach are to observe and understand a survival behavior exhibited in nature, to create a mathematical model and simulation capability for that behavior, to modify and optimize the behavior for a desired robotics application, and to implement it. The application described in this report is dynamic soaring, a behavior that certain sea birds use to extract flight energy from laminar wind velocity gradients in the shallow atmospheric boundary layer directly above the ocean surface. Theoretical calculations, computational proof-of-principle demonstrations, and the first instrumented experimental flight test data for dynamic soaring are presented to address the feasibility of developing dynamic soaring flight control algorithms to sustain the flight of unmanned airborne vehicles (UAVs). Both hardware and software were developed for this application. Eight-foot custom foam sailplanes were built and flown in a steep shear gradient. A logging device was designed and constructed with custom software to record flight data during dynamic soaring maneuvers. A computational toolkit was developed to simulate dynamic soaring in special cases and with a full 6-degree of freedom flight dynamics model in a generalized time-dependent wind field. Several 3-dimensional visualization tools were built to replay the flight simulations. A realistic aerodynamics model of an eight-foot sailplane was developed using measured aerodynamic derivatives. Genetic programming methods were developed and linked to the simulations and visualization tools. These tools can now be generalized for other biomimetic behavior applications.

  19. State selective dynamics of molecules, clusters, and nanostructures

    SciTech Connect (OSTI)

    Keto, John W.

    2005-06-01

    Early objectives of this grant were: (1) Measure two-photon excitation of even parity excitons in liquid an solid xenon, (2) Study state-to-state energy transver between two-photon laser excited states or rare-gas atoms to other rare has atoms, (3) study reactive half-collisions between xenon and chlorine leading to the XeCl* B state, (4) measure the spectra of ro-vibrational states of cluster ions and radicals formed in high-pressure discharges and to study their dynamics, (5) measure the surface and bulk electronic states of nanoparticles produced by a unique method of synthesis--laser ablation of microspheres (LAM). Using near-field and microluminescence techniques, we obtained spectra of single nanocrystals to compare with spectra obtained in a supersonic jet apparatus using resonance excitation followed by photoionization (REMPI) with time-of-flight mass analysis. These materials combine the functional advantages obtained from the size-tunable properties of nanocomposite materials with the fabrication and direct-write advantages of NPs manufactured by LAM. We demostrated that CdSe nanoparticles produced by LAM were efficiient fluorescers, even when deposited dry on sapphire substrates. Si nanoparticles were fluorescent when captured in ethylene glycol. We also obtiained efficient fluorescence from Er doped phosphate glass nanopartiicles which have application to gain wafeguides in integrated optics or to nanoslush lasers. We used a femptosecond laser to study the nonlinear spectra of NC composites. We are currently measuring fluorescence and second and third-order susceptibilities of composites of Ag, Si, and GaN nanoparticles encapsulated within thin films of sapphire or SiO 2.

  20. 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.

  1. A feasibility study for experimentally determining dynamic force distribution in a lap joint.

    SciTech Connect (OSTI)

    Mayes, Randall Lee

    2013-11-01

    Developing constitutive models of the physics in mechanical joints is currently stymied by inability to measure forces and displacements within the joint. The current state of the art estimates whole joint stiffness and energy loss per cycle from external measured force input and one or two acceleration responses. To validate constitutive models beyond this state requires a measurement of the distributed forces and displacements at the joint interface. Unfortunately, introducing measurement devices at the interface completely disrupts the desired physics. A feasibility study is presented for a non-intrusive method of solving for the interface dynamic forces from an inverse problem using full field measured responses. The responses come from the viewable surface of a beam. The noise levels associated with digital image correlation and continuous scanning laser Doppler velocimetry are evaluated from typical beam experiments. Two inverse problems are simulated. One utilizes the extended Sum of Weighted Accelerations Technique (SWAT). The second is a new approach dubbed the method of truncated orthogonal forces. These methods are much more robust if the contact patch geometry is well identified. Various approaches to identifying the contact patch are investigated, including ion marker tracking, Prussian blue and ultrasonic measurements. A typical experiment is conceived for a beam which has a lap joint at one end with a single bolt connecting it to another identical beam. In a virtual test using the beam finite element analysis, it appears that the SWAT inverse method requires evaluation of too many coefficients to adequately identify the force distribution to be viable. However, the method of truncated orthogonal forces appears viable with current digital image correlation (and probably other) imaging techniques.

  2. Electronic spectra and excited state dynamics of pentafluorophenol: Effects of low-lying ??{sup ?} states

    SciTech Connect (OSTI)

    Karmakar, Shreetama; Mukhopadhyay, Deb Pratim; Chakraborty, Tapas

    2015-05-14

    Multiple fluorine atom substitution effect on photophysics of an aromatic chromophore has been investigated using phenol as the reference system. It has been noticed that the discrete vibronic structure of the S{sub 1}?S{sub 0} absorption system of phenol vapor is completely washed out for pentafluorophenol (PFP), and the latter also shows very large Stokes shift in the fluorescence spectrum. For excitations beyond S{sub 1} origin, the emission yield of PFP is reduced sharply with increase in excess vibronic energy. However, in a collisional environment like liquid hydrocarbon, the underlying dynamical process that drives the non-radiative decay is hindered drastically. Electronic structure theory predicts a number of low-lying dark electronic states of ??{sup ?} character in the vicinity of the lowest valence ??{sup ?} state of this molecule. Tentatively, we have attributed the excitation energy dependent non-radiative decay of the molecule observed only in the gas phase to an interplay between the lowest ??{sup ?} and a nearby dissociative ??{sup ?} state. Measurements in different liquids reveal that some of the dark excited states light up with appreciable intensity only in protic liquids like methanol and water due to hydrogen bonding between solute and solvents. Electronic structure theory methods indeed predict that for PFP-(H{sub 2}O){sub n} clusters (n = 1-11), intensities of a number of ??{sup ?} states are enhanced with increase in cluster size. In contrast with emitting behavior of the molecule in the gas phase and solutions of nonpolar and polar aprotic liquids, the fluorescence is completely switched off in polar protic liquids. This behavior is a chemically significant manifestation of perfluoro effect, because a very opposite effect occurs in the case of unsubstituted phenol for which fluorescence yield undergoes a very large enhancement in protic liquids. Several dynamical mechanisms have been suggested to interpret the observed photophysical

  3. Communication: Smoothing out excited-state dynamics: Analytical gradients for dynamically weighted complete active space self-consistent field

    SciTech Connect (OSTI)

    Glover, W. J.

    2014-11-07

    State averaged complete active space self-consistent field (SA-CASSCF) is a workhorse for determining the excited-state electronic structure of molecules, particularly for states with multireference character; however, the method suffers from known issues that have prevented its wider adoption. One issue is the presence of discontinuities in potential energy surfaces when a state that is not included in the state averaging crosses with one that is. In this communication I introduce a new dynamical weight with spline (DWS) scheme that mimics SA-CASSCF while removing energy discontinuities due to unweighted state crossings. In addition, analytical gradients for DWS-CASSCF (and other dynamically weighted schemes) are derived for the first time, enabling energy-conserving excited-state ab initio molecular dynamics in instances where SA-CASSCF fails.

  4. Load Modeling and State Estimation Methods for Power Distribution Systems: Final Report

    SciTech Connect (OSTI)

    Tom McDermott

    2010-05-07

    The project objective was to provide robust state estimation for distribution systems, comparable to what has been available on transmission systems for decades. This project used an algorithm called Branch Current State Estimation (BCSE), which is more effective than classical methods because it decouples the three phases of a distribution system, and uses branch current instead of node voltage as a state variable, which is a better match to current measurement.

  5. Dynamic State Estimation for Multi-Machine Power System by Unscented Kalman

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

    Filter with Enhanced Numerical Stability | Argonne National Laboratory Dynamic State Estimation for Multi-Machine Power System by Unscented Kalman Filter with Enhanced Numerical Stability Title Dynamic State Estimation for Multi-Machine Power System by Unscented Kalman Filter with Enhanced Numerical Stability Publication Type Journal Article Year of Publication 2016 Authors Qi, J, Sun, K, Wang, J, Liu, H Journal IEEE Transactions on Smart Grid Date Published 06/2016 Keywords dynamic state

  6. Two-photon photodissociation dynamics of H{sub 2}O via the D-tilde electronic state

    SciTech Connect (OSTI)

    Yuan Kaijun; Cheng Lina; Cheng Yuan; Guo Qing; Dai Dongxu; Yang Xueming

    2009-08-21

    Photodissociation dynamics of H{sub 2}O via the D-tilde state by two-photon absorption have been investigated using the H-atom Rydberg tagging time-of-flight technique. The action spectrum of the D-tilde<-X-tilde transition band has been measured. The predissociation lifetime of the D-tilde state is determined to be about 13.5 fs. The quantum state-resolved OH product translational energy distributions and angular distributions have also been measured. By carefully simulating these distributions, quantum state distributions of the OH product as well as the state-resolved angular anisotropy parameters were determined. The most important pathway of the H{sub 2}O dissociation via the D-tilde state leads to the highly rotationally excited OH(X,v=0) products. Vibrationally excited OH(X) products (up to v=10) and electronically excited OH(A,v=0,1,2) have also been observed. The OH(A)/OH(X) branching ratios are determined to be 17.9% at 244.540 nm (2{omega}{sub 1}=81 761.4 cm{sup -1}) and 19.9% at 244.392 nm (2{omega}{sub 2}=81 811 cm{sup -1}), which are considerably smaller than the value predicted by the theory. These discrepancies are attributed to the nonadiabatic coupling effect between the B-tilde and D-tilde surfaces at the bent geometry.

  7. 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.

  8. Statistics of voltage drop in distribution circuits: a dynamic programming approach

    SciTech Connect (OSTI)

    Turitsyn, Konstantin S

    2010-01-01

    We analyze a power distribution line with high penetration of distributed generation and strong variations of power consumption and generation levels. In the presence of uncertainty the statistical description of the system is required to assess the risks of power outages. In order to find the probability of exceeding the constraints for voltage levels we introduce the probability distribution of maximal voltage drop and propose an algorithm for finding this distribution. The algorithm is based on the assumption of random but statistically independent distribution of loads on buses. Linear complexity in the number of buses is achieved through the dynamic programming technique. We illustrate the performance of the algorithm by analyzing a simple 4-bus system with high variations of load levels.

  9. 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.

  10. Integrating GIS with Distributed Applications Using Dynamic Data-Sharing Mechanisms

    SciTech Connect (OSTI)

    Burnett, Robert A. ); Tzemos, Spyridon ); Stoops, LaMar R. )

    2002-08-21

    Effective integration of a stand-alone GIS (e.g., ArcView 3.x) into a complex distributed software application requires an efficient, reliable mechanism for passing data and function requests to and from the GIS component. This paper describes the use of dynamic data-sharing and inter-process communication mechanisms to integrate GIS capability into a multi-jurisdictional distributed emergency management information system. These mechanisms include dynamic layer updates from spatial and attribute information shared via a distributed relational database across multiple sites; storage of private and shared ViewMarks to facilitate consistent GIS views; and asynchronous inter-process communication using function queuing and a data sharing library.

  11. Ground-state and dynamical properties of two-dimensional dipolar Fermi liquids

    SciTech Connect (OSTI)

    Abedinpour, Saeed H.; Asgari, Reza; Tanatar, B.; Polini, Marco

    2014-01-15

    We study the ground-state properties of a two-dimensional spin-polarized fluid of dipolar fermions within the EulerLagrange Fermi-hypernetted-chain approximation. Our method is based on the solution of a scattering Schrdinger equation for the pair amplitude ?(g(r)), where g(r) is the pair distribution function. A key ingredient in our theory is the effective pair potential, which includes a bosonic term from JastrowFeenberg correlations and a fermionic contribution from kinetic energy and exchange, which is tailored to reproduce the HartreeFock limit at weak coupling. Very good agreement with recent results based on quantum Monte Carlo simulations is achieved over a wide range of coupling constants up to the liquid-to-crystal quantum phase transition. Using the fluctuationdissipation theorem and a static approximation for the effective inter-particle interactions, we calculate the dynamical densitydensity response function, and furthermore demonstrate that an undamped zero-sound mode exists for any value of the interaction strength, down to infinitesimally weak couplings. -- Highlights: We have studied the ground state properties of a strongly correlated two-dimensional fluid of dipolar fermions. We have calculated the effective inter-particle interaction and the dynamical densitydensity response function. We have shown that an undamped zero sound mode exists at any value of the interaction strength.

  12. State-to-state dynamics of the H{sup *}(n) + HD ? D{sup *}(n{sup ?}) + H{sub 2} reactive scattering

    SciTech Connect (OSTI)

    Yu, Shengrui; Su, Shu; Dai, Dongxu; Yuan, Kaijun, E-mail: kjyuan@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn; Yang, Xueming, E-mail: kjyuan@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian 116023 (China)] [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian 116023 (China)

    2014-01-21

    The state-to-state dynamics of the H{sup *}(n) + HD ? D{sup *}(n{sup ?}) + H{sub 2} reactive scattering at the collision energy of 0.5 eV have been carried out for the first time by using H-atom Rydberg tagging time-of-flight technique. Experimental results show that the angular distribution of the total H{sub 2} products presents clearly forward-backward asymmetric, which considerably differs from that of the corresponding H{sup +} + HD ? D{sup +} + H{sub 2} reaction predicted by previously theoretical calculations. Such disagreement between these two processes suggests that the Fermi independent-collider model is also not valid in describing the dynamics of isotopic variants of the H{sup *} + H{sub 2} reaction. The rotational state distribution of the H{sub 2} products demonstrates a saw-toothed distribution with odd-j{sup ?} > even-j{sup ?}. This interesting observation is strongly influenced by nuclear spin statistics.

  13. Implementation of Parallel Dynamic Simulation on Shared-Memory vs. Distributed-Memory Environments

    SciTech Connect (OSTI)

    Jin, Shuangshuang; Chen, Yousu; Wu, Di; Diao, Ruisheng; Huang, Zhenyu

    2015-12-09

    Power system dynamic simulation computes the system response to a sequence of large disturbance, such as sudden changes in generation or load, or a network short circuit followed by protective branch switching operation. It consists of a large set of differential and algebraic equations, which is computational intensive and challenging to solve using single-processor based dynamic simulation solution. High-performance computing (HPC) based parallel computing is a very promising technology to speed up the computation and facilitate the simulation process. This paper presents two different parallel implementations of power grid dynamic simulation using Open Multi-processing (OpenMP) on shared-memory platform, and Message Passing Interface (MPI) on distributed-memory clusters, respectively. The difference of the parallel simulation algorithms and architectures of the two HPC technologies are illustrated, and their performances for running parallel dynamic simulation are compared and demonstrated.

  14. Dynamic control of spin states in interacting magnetic elements

    DOE Patents [OSTI]

    Jain, Shikha; Novosad, Valentyn

    2014-10-07

    A method for the control of the magnetic states of interacting magnetic elements comprising providing a magnetic structure with a plurality of interacting magnetic elements. The magnetic structure comprises a plurality of magnetic states based on the state of each interacting magnetic element. The desired magnetic state of the magnetic structure is determined. The active resonance frequency and amplitude curve of the desired magnetic state is determined. Each magnetic element of the magnetic structure is then subjected to an alternating magnetic field or electrical current having a frequency and amplitude below the active resonance frequency and amplitude curve of said desired magnetic state and above the active resonance frequency and amplitude curve of the current state of the magnetic structure until the magnetic state of the magnetic structure is at the desired magnetic state.

  15. Loss resilience for two-qubit state transmission using distributed phase sensitive amplification

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

    Dailey, James; Agarwal, Anjali; Toliver, Paul; Peters, Nicholas A.

    2015-11-12

    We transmit phase-encoded non-orthogonal quantum states through a 5-km long fibre-based distributed optical phase-sensitive amplifier (OPSA) using telecom-wavelength photonic qubit pairs. The gain is set to equal the transmission loss to probabilistically preserve input states during transmission. While neither state is optimally aligned to the OPSA, each input state is equally amplified with no measurable degradation in state quality. These results promise a new approach to reduce the effects of loss by encoding quantum information in a two-qubit Hilbert space which is designed to benefit from transmission through an OPSA.

  16. Distribution:

    Office of Legacy Management (LM)

    JAN26 19% Distribution: OR00 Attn: h.H.M.Roth DFMusser ITMM MMMann INS JCRyan FIw(2) Hsixele SRGustavson, Document rocm Formal file i+a@mmm bav@ ~@esiaw*cp Suppl. file 'Br & Div rf's s/health (lic.only) UNITED STATES ATOMIC ENERGY COMMISSION SPECIAL NUCLEAB MATERIAL LICENSE pursuant to the Atomic Energy Act of 1954 and Title 10, Code of Federal Regulations, Chapter 1, P&t 70, "Special Nuclear Material Reg)llatiqm," a license is hereby issued a$hortztng the licensee to rekeive

  17. Dynamic equation of state and strength properties of unreacted...

    Office of Scientific and Technical Information (OSTI)

    Sponsoring Org: USDOE Office of Civilian Radioactive Waste Management (RW) Country of Publication: United States Language: English Subject: 45 MILITARY TECHNOLOGY, WEAPONRY, AND ...

  18. Estimating Traveler Populations at Airport and Cruise Terminals for Population Distribution and Dynamics

    SciTech Connect (OSTI)

    Jochem, Warren C; Sims, Kelly M; Bright, Eddie A; Urban, Marie L; Rose, Amy N; Coleman, Phil R; Bhaduri, Budhendra L

    2013-01-01

    In recent years, uses of high-resolution population distribution databases are increasing steadily for environmental, socioeconomic, public health, and disaster-related research and operations. With the development of daytime population distribution, temporal resolution of such databases has been improved. However, the lack of incorporation of transitional population, namely business and leisure travelers, leaves a significant population unaccounted for within the critical infrastructure networks, such as at transportation hubs. This paper presents two general methodologies for estimating passenger populations in airport and cruise port terminals at a high temporal resolution which can be incorporated into existing population distribution models. The methodologies are geographically scalable and are based on, and demonstrate how, two different transportation hubs with disparate temporal population dynamics can be modeled utilizing publicly available databases including novel data sources of flight activity from the Internet which are updated in near-real time. The airport population estimation model shows great potential for rapid implementation for a large collection of airports on a national scale, and the results suggest reasonable accuracy in the estimated passenger traffic. By incorporating population dynamics at high temporal resolutions into population distribution models, we hope to improve the estimates of populations exposed to or at risk to disasters, thereby improving emergency planning and response, and leading to more informed policy decisions.

  19. Formation and nonlinear dynamics of the squeezed state of a helical electron beam with additional deceleration

    SciTech Connect (OSTI)

    Egorov, E. N. Koronovskii, A. A.; Kurkin, S. A.; Hramov, A. E.

    2013-11-15

    Results of numerical simulations and analysis of the formation and nonlinear dynamics of the squeezed state of a helical electron beam in a vircator with a magnetron injection gun as an electron source and with additional electron deceleration are presented. The ranges of control parameters where the squeezed state can form in such a system are revealed, and specific features of the system dynamics are analyzed. It is shown that the formation of a squeezed state of a nonrelativistic helical electron beam in a system with electron deceleration is accompanied by low-frequency longitudinal dynamics of the space charge.

  20. Improving Data Transparency for the Distributed PV Interconnection Process: Emergent Utility Practices and State Requirements Transcript

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

    Data Transparency for the Distributed PV Page 1 of 21 Interconnection Process Emergent Utility Practices and State Requirements Kristen Adrani, Emerson Reiter, Joslyn Sato, Michael Conway Page 1 of 21 [Speaker: Kristen Ardani] Cover Slide: Thank you everyone for joining us for today's quarterly meeting of the Distributed Generation Interconnection Collaborative, or the DGIC. My name is Kristen Ardani. I'm a solar analyst here at NREL and I'll be moderating today's discussion. The topic for today

  1. The LandScan Global Population Distribution Project: Current State of the Art and Prospective Innovation

    SciTech Connect (OSTI)

    Rose, Amy N; Bright, Eddie A

    2014-01-01

    Advances in remote sensing, dasymetric mapping techniques, and the ever-increasing availability of spatial datasets have enhanced global human population distribution databases. These datasets demonstrate an enormous improvement over the conventional use of choropleth maps to represent population distribution and are vital for analysis and planning purposes including humanitarian response, disease mapping, risk analysis, and evacuation modeling. Dasymetric mapping techniques have been employed to address spatial mismatch, but also to develop finer resolution population distributions in areas of the world where subnational census data are coarse or non-existent. One such implementation is the LandScan Global model which provides a 30 arc-second global population distribution based on ancillary datasets such as land cover, slope, proximity to roads, and settlement locations. This work will review the current state of the LandScan model, future innovations aimed at increasing spatial and demographic resolution, and situate LandScan within the landscape of other global population distribution datasets.

  2. 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 ...

  3. Strategic Sequencing for State Distributed PV Policies: A Quantitative Analysis of Policy Impacts and Interactions

    SciTech Connect (OSTI)

    Doris, E.; Krasko, V.A.

    2012-10-01

    State and local policymakers show increasing interest in spurring the development of customer-sited distributed generation (DG), in particular solar photovoltaic (PV) markets. Prompted by that interest, this analysis examines the use of state policy as a tool to support the development of a robust private investment market. This analysis builds on previous studies that focus on government subsidies to reduce installation costs of individual projects and provides an evaluation of the impacts of policies on stimulating private market development.

  4. Improving Data Transparency for the Distributed PV Interconnection Process: Emergent Utility Practices and State Requirements

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

    June 3, 2015 "Improving Data Transparency for the Distributed PV Interconnection Process: Emergent Utility Practices and State Requirements" Joslyn Sato, Hawaiian Electric Companies Michael Conway, Borrego Solar Systems, Inc. Kristen Ardani and Emerson Reiter, National Renewable Energy Laboratory (NREL) 2 Purpose of Today's Meeting * Learn how data reporting requirements for interconnection vary across States, how tracking and data reporting for interconnection requests is evolving

  5. STATE RESEARCH, OUTREACH AND TECHNICAL ASSISTANCE TO IMPROVE THE NATION’S TRANSMISSION AND DISTRIBUTION SYSTEMS

    SciTech Connect (OSTI)

    David Terry; Ben Deitchman; Shemika Spencer

    2009-06-29

    The goal of the project 'State Research, Outreach and Technical Assistance to Improve the Nation's Transmission and Distribution Systems' was for the National Association of State Energy Officials (NASEO) to partner with the National Governors Association (NGA) Center for Best Practices, the National Conference of State Legislators (NCSL), and the National Association of Regulatory Utility Commissioners (NARUC) to assist DOE's Office of Electricity Delivery and Energy Reliability (OE) in its effort to modernize and expand America's electric delivery system. NASEO focused on key transmission and distribution issues where coordination between the federal and state governments was critical. Throughout the duration of this program, NASEO engaged in monthly coordination - occasionally more often - with NGA, NCSL and NARUC. NASEO staff and General Counsel Jeff Genzer also had regular face-to-face meetings, phone calls and emails with OE staff to learn from DOE and share information and feedback from the state energy offices on transmission and distribution. To commence work on this project, NASEO met with OE, NGA, NCSL and NARUC in January 2005 and remained committed to regular communications with all involved entities throughout the duration of this project. NASEO provided comments and analysis to the other partners on deliverable reports under this award. This award provided support to NASEO's Energy Production Committee (chaired by Dub Taylor of Texas, followed by Tom Fuller of Wyoming) to plan and host sessions at NASEO's Annual Meeting and Energy Outlook Conferences. Sessions included presentations from state, DOE, national laboratory and private sector experts on transmission, distribution, distributed energy resources, integrating renewable resources into the electricity grid. NASEO disseminated information to its members through emails and its website on transmission and distribution technology and policy. NASEO was an active member of the National Council on

  6. Ultrashort laser ablation of bulk copper targets: Dynamics and size distribution of the generated nanoparticles

    SciTech Connect (OSTI)

    Tsakiris, N.; Gill-Comeau, M.; Lewis, L. J.; Anoop, K. K.; Ausanio, G.; Bruzzese, R.; Amoruso, S.

    2014-06-28

    We address the role of laser pulse fluence on expansion dynamics and size distribution of the nanoparticles produced by irradiating a metallic target with an ultrashort laser pulse in a vacuum, an issue for which contrasting indications are present in the literature. To this end, we have carried out a combined theoretical and experimental analysis of laser ablation of a bulk copper target with ≈50 fs, 800 nm pulses, in an interval of laser fluencies going from few to several times the ablation threshold. On one side, molecular dynamics simulations, with two-temperature model, describe the decomposition of the material through the analysis of the evolution of thermodynamic trajectories in the material phase diagram, and allow estimating the size distribution of the generated nano-aggregates. On the other side, atomic force microscopy of less than one layer nanoparticles deposits on witness plates, and fast imaging of the nanoparticles broadband optical emission provide the corresponding experimental characterization. Both experimental and numerical findings agree on a size distribution characterized by a significant fraction (≈90%) of small nanoparticles, and a residual part (≈10%) spanning over a rather large size interval, evidencing a weak dependence of the nanoparticles sizes on the laser pulse fluence. Numerical and experimental findings show a good degree of consistency, thus suggesting that modeling can realistically support the search for experimental methods leading to an improved control over the generation of nanoparticles by ultrashort laser ablation.

  7. PMU Placement for Dynamic State Tracking of Power Systems

    SciTech Connect (OSTI)

    Sun, Yannan; Du, Pengwei; Huang, Zhenyu; Kalsi, Karanjit; Diao, Ruisheng; Anderson, Kevin K.; Li, Yulan; Lee, Barry

    2011-08-04

    Accurately tracking the state variables (rotor angle and speed) is a necessity for monitoring system stability conditions and assessing the risks of large-scale system collapse. This paper explores how the number and locations of PMUs installed in the system are determined to ensure satisfactory state tracking performance. A search algorithm is presented for determining PMU placement (location and quantity). The algorithm determines a placement that gives small tracking error in polynomial time. A modified, scalable algorithm is also presented. Observability in the presence of faults is considered. Simulation results for a 16-machine and a 50-machine system are provided.

  8. Milk production and distribution in nine western states in the 1950s

    SciTech Connect (OSTI)

    Ward, G.M.; Whicker, F.W.

    1987-03-01

    This report provides information on milk distribution and dairy cattle feeding practices in Nevada, Utah and portions of seven other adjacent states during the 1950s. The information was gathered to support the US Department of Energy's ''Offsite Radiation Exposure Review Project (ORERP).'' This project is charged with providing radiation dose estimates for residents of Nevada, Utah, and surrounding states from nuclear weapons testing conducted at the Nevada Test Site from 1951 through 1962. The information on milk production and distribution is essential for assessment of the internal organ doses received by people as a result of ingesting radioactive fallout-contaminated foods. The information is used as input data for Colorado State University's PATHWAY computer code which estimates the ingestion of twenty radionuclides by people relative to a given level of fallout deposition.

  9. Effect of carrier dynamics and temperature on two-state lasing in semiconductor quantum dot lasers

    SciTech Connect (OSTI)

    Korenev, V. V. Savelyev, A. V.; Zhukov, A. E.; Omelchenko, A. V.; Maximov, M. V.

    2013-10-15

    It is analytically shown that the both the charge carrier dynamics in quantum dots and their capture into the quantum dots from the matrix material have a significant effect on two-state lasing phenomenon in quantum dot lasers. In particular, the consideration of desynchronization in electron and hole capture into quantum dots allows one to describe the quenching of ground-state lasing observed at high injection currents both qualitatevely and quantitatively. At the same time, an analysis of the charge carrier dynamics in a single quantum dot allowed us to describe the temperature dependences of the emission power via the ground- and excited-state optical transitions of quantum dots.

  10. Dynamics and density distributions in a capillary-discharge waveguide with an embedded supersonic jet

    SciTech Connect (OSTI)

    Matlis, N. H. Gonsalves, A. J.; Steinke, S.; Tilborg, J. van; Shaw, B.; Mittelberger, D. E.; Geddes, C. G. R.; Matlis, E. H.; Leemans, W. P.

    2015-11-28

    We present an analysis of the gas dynamics and density distributions within a capillary-discharge waveguide with an embedded supersonic jet. This device provides a target for a laser plasma accelerator which uses longitudinal structuring of the gas-density profile to enable control of electron trapping and acceleration. The functionality of the device depends sensitively on the details of the density profile, which are determined by the interaction between the pulsed gas in the jet and the continuously-flowing gas in the capillary. These dynamics are captured by spatially resolving recombination light from several emission lines of the plasma as a function of the delay between the jet and the discharge. We provide a phenomenological description of the gas dynamics as well as a quantitative evaluation of the density evolution. In particular, we show that the pressure difference between the jet and the capillary defines three regimes of operation with qualitatively different longitudinal density profiles and show that jet timing provides a sensitive method for tuning between these regimes.

  11. Pore-scale dynamics of salt transport and distribution in drying porous media

    SciTech Connect (OSTI)

    Shokri, Nima

    2014-01-15

    Understanding the physics of water evaporation from saline porous media is important in many natural and engineering applications such as durability of building materials and preservation of monuments, water quality, and mineral-fluid interactions. We applied synchrotron x-ray micro-tomography to investigate the pore-scale dynamics of dissolved salt distribution in a three dimensional drying saline porous media using a cylindrical plastic column (15 mm in height and 8 mm in diameter) packed with sand particles saturated with CaI{sub 2} solution (5% concentration by mass) with a spatial and temporal resolution of 12 ?m and 30 min, respectively. Every time the drying sand column was set to be imaged, two different images were recorded using distinct synchrotron x-rays energies immediately above and below the K-edge value of Iodine. Taking the difference between pixel gray values enabled us to delineate the spatial and temporal distribution of CaI{sub 2} concentration at pore scale. Results indicate that during early stages of evaporation, air preferentially invades large pores at the surface while finer pores remain saturated and connected to the wet zone at bottom via capillary-induced liquid flow acting as evaporating spots. Consequently, the salt concentration increases preferentially in finer pores where evaporation occurs. Higher salt concentration was observed close to the evaporating surface indicating a convection-driven process. The obtained salt profiles were used to evaluate the numerical solution of the convection-diffusion equation (CDE). Results show that the macro-scale CDE could capture the overall trend of the measured salt profiles but fail to produce the exact slope of the profiles. Our results shed new insight on the physics of salt transport and its complex dynamics in drying porous media and establish synchrotron x-ray tomography as an effective tool to investigate the dynamics of salt transport in porous media at high spatial and temporal

  12. ON QUIET-TIME SOLAR WIND ELECTRON DISTRIBUTIONS IN DYNAMICAL EQUILIBRIUM WITH LANGMUIR TURBULENCE

    SciTech Connect (OSTI)

    Zaheer, S.; Yoon, P. H.

    2013-10-01

    A recent series of papers put forth a self-consistent theory of an asymptotically steady-state electron distribution function and Langmuir turbulence intensity. The theory was developed in terms of the ? distribution which features Maxwellian low-energy electrons and a non-Maxwellian energetic power-law tail component. The present paper discusses a generalized ? distribution that features a Davydov-Druyvesteyn type of core component and an energetic power-law tail component. The physical motivation for such a generalization is so that the model may reflect the influence of low-energy electrons interacting with low-frequency kinetic Alfvnic turbulence as well as with high-frequency Langmuir turbulence. It is shown that such a solution and the accompanying Langmuir wave spectrum rigorously satisfy the balance requirement between the spontaneous and induced emission processes in both the particle and wave kinetic equations, and approximately satisfy the similar balance requirement between the spontaneous and induced scattering processes, which are nonlinear. In spite of the low velocity modification of the electron distribution function, it is shown that the resulting asymptotic velocity power-law index ?, where f{sub e} ? v {sup ?} is close to the average index observed during the quiet-time solar wind condition, i.e., ? ? O(6.5) whereas ?{sub average} ? 6.69, according to observation.

  13. Arsenic (+ 3 oxidation state) methyltransferase genotype affects steady-state distribution and clearance of arsenic in arsenate-treated mice

    SciTech Connect (OSTI)

    Hughes, Michael F.; Edwards, Brenda C.; Herbin-Davis, Karen M.; Saunders, Jesse; Styblo, Miroslav; Thomas, David J.

    2010-12-15

    Arsenic (+ 3 oxidation state) methyltransferase (As3mt) catalyzes formation of mono-, di-, and tri-methylated metabolites of inorganic arsenic. Distribution and retention of arsenic were compared in adult female As3mt knockout mice and wild-type C57BL/6 mice using a regimen in which mice received daily oral doses of 0.5 mg of arsenic as arsenate per kilogram of body weight. Regardless of genotype, arsenic body burdens attained steady state after 10 daily doses. At steady state, arsenic body burdens in As3mt knockout mice were 16 to 20 times greater than in wild-type mice. During the post dosing clearance period, arsenic body burdens declined in As3mt knockout mice to {approx} 35% and in wild-type mice to {approx} 10% of steady-state levels. Urinary concentration of arsenic was significantly lower in As3mt knockout mice than in wild-type mice. At steady state, As3mt knockout mice had significantly higher fractions of the body burden of arsenic in liver, kidney, and urinary bladder than did wild-type mice. These organs and lung had significantly higher arsenic concentrations than did corresponding organs from wild-type mice. Inorganic arsenic was the predominant species in tissues of As3mt knockout mice; tissues from wild-type mice contained mixtures of inorganic arsenic and its methylated metabolites. Diminished capacity for arsenic methylation in As3mt knockout mice prolongs retention of inorganic arsenic in tissues and affects whole body clearance of arsenic. Altered retention and tissue tropism of arsenic in As3mt knockout mice could affect the toxic or carcinogenic effects associated with exposure to this metalloid or its methylated metabolites.

  14. Influence of microorganisms on the oxidation state distribution of multivalent actinides under anoxic conditions

    SciTech Connect (OSTI)

    Reed, Donald Timothy; Borkowski, Marian; Lucchini, Jean - Francois; Ams, David; Richmann, M. K.; Khaing, H.; Swanson, J. S.

    2010-12-10

    The fate and potential mobility of multivalent actinides in the subsurface is receiving increased attention as the DOE looks to cleanup the many legacy nuclear waste sites and associated subsurface contamination. Plutonium, uranium and neptunium are the near-surface multivalent contaminants of concern and are also key contaminants for the deep geologic disposal of nuclear waste. Their mobility is highly dependent on their redox distribution at their contamination source as well as along their potential migration pathways. This redox distribution is often controlled, especially in the near-surface where organic/inorganic contaminants often coexist, by the direct and indirect effects of microbial activity. Under anoxic conditions, indirect and direct bioreduction mechanisms exist that promote the prevalence of lower-valent species for multivalent actinides. Oxidation-state-specific biosorption is also an important consideration for long-term migration and can influence oxidation state distribution. Results of ongoing studies to explore and establish the oxidation-state specific interactions of soil bacteria (metal reducers and sulfate reducers) as well as halo-tolerant bacteria and Archaea for uranium, neptunium and plutonium will be presented. Enzymatic reduction is a key process in the bioreduction of plutonium and uranium, but co-enzymatic processes predominate in neptunium systems. Strong sorptive interactions can occur for most actinide oxidation states but are likely a factor in the stabilization of lower-valent species when more than one oxidation state can persist under anaerobic microbiologically-active conditions. These results for microbiologically active systems are interpreted in the context of their overall importance in defining the potential migration of multivalent actinides in the subsurface.

  15. Dynamical generation of phase-squeezed states in two-component Bose-Einstein condensates

    SciTech Connect (OSTI)

    Jin, G. R.; An, Y.; Yan, T.; Lu, Z. S. [Department of Physics, Beijing Jiaotong University, Beijing 100044 (China)

    2010-12-15

    As an ''input'' state of a linear (Mach-Zehnder or Ramsey) interferometer, the phase-squeezed state proposed by Berry and Wiseman exhibits the best sensitivity approaching to the Heisenberg limit [Phys. Rev. Lett. 85, 5098 (2000)]. Similar with the Berry and Wiseman's state, we find that two kinds of phase-squeezed states can be generated dynamically with atomic Bose-Einstein condensates confined in a symmetric double-well potential, which shows squeezing along spin operator S{sub y} and antisqueezing along S{sub z}, leading to subshot-noise phase estimation.

  16. Inferring Viral Dynamics in Chronically HCV Infected Patients from the Spatial Distribution of Infected Hepatocytes

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

    Graw, Frederik; Balagopal, Ashwin; Kandathil, Abraham J.; Ray, Stuart C.; Thomas, David L.; Ribeiro, Ruy M.; Perelson, Alan S.; Yates, Andrew J.

    2014-11-13

    Chronic liver infection by hepatitis C virus (HCV) is a major public health concern. Despite partly successful treatment options, several aspects of intrahepatic HCV infection dynamics are still poorly understood, including the preferred mode of viral propagation, as well as the proportion of infected hepatocytes. Answers to these questions have important implications for the development of therapeutic interventions. In this study, we present methods to analyze the spatial distribution of infected hepatocytes obtained by single cell laser capture microdissection from liver biopsy samples of patients chronically infected with HCV. By characterizing the internal structure of clusters of infected cells, wemore » are able to evaluate hypotheses about intrahepatic infection dynamics. We found that individual clusters on biopsy samples range in size from 4-50 infected cells. In addition, the HCV RNA content in a cluster declines from the cell that presumably founded the cluster to cells at the maximal cluster extension. These observations support the idea that HCV infection in the liver is seeded randomly (e.g. from the blood) and then spreads locally. Assuming that the amount of intracellular HCV RNA is a proxy for how long a cell has been infected, we estimate based on models of intracellular HCV RNA replication and accumulation that cells in clusters have been infected on average for less than a week. Further, we do not find a relationship between the cluster size and the estimated cluster expansion time. Lastly, our method represents a novel approach to make inferences about infection dynamics in solid tissues from static spatial data.« less

  17. Dynamic State Estimation and Parameter Calibration of DFIG based on Ensemble Kalman Filter

    SciTech Connect (OSTI)

    Fan, Rui; Huang, Zhenyu; Wang, Shaobu; Diao, Ruisheng; Meng, Da

    2015-07-30

    With the growing interest in the application of wind energy, doubly fed induction generator (DFIG) plays an essential role in the industry nowadays. To deal with the increasing stochastic variations introduced by intermittent wind resource and responsive loads, dynamic state estimation (DSE) are introduced in any power system associated with DFIGs. However, sometimes this dynamic analysis canould not work because the parameters of DFIGs are not accurate enough. To solve the problem, an ensemble Kalman filter (EnKF) method is proposed for the state estimation and parameter calibration tasks. In this paper, a DFIG is modeled and implemented with the EnKF method. Sensitivity analysis is demonstrated regarding the measurement noise, initial state errors and parameter errors. The results indicate this EnKF method has a robust performance on the state estimation and parameter calibration of DFIGs.

  18. The distribution of industrial waste generation and energy use characteristics in available Federal and State databases

    SciTech Connect (OSTI)

    Thomas, T.M.; Jendrucko, R.J.; Peretz, J.H.

    1995-06-01

    Over the last several years, data have been collected by the U.S. Environmental Protection Agency, the Department of Energy, and various state government agencies on manufacturing waste generation and energy consumption. To date, however, little analysis of these data have been performed on the characteristics and distributions of waste types generated and energy forms consumed. Yet, these databases provide a wealth of information that can be used to draw useful conclusions on manufacturing efficiency. Although the data collected have weaknesses, the Toxics Release Inventory (TRI) and Consumption of Energy Report can be used to investigate possible relationships between industrial waste generation and energy consumption.

  19. Optimization Method to Branch and Bound Large SBO State Spaces Under Dynamic Probabilistic Risk Assessment via use of LENDIT Scales and S2R2 Sets

    SciTech Connect (OSTI)

    Joseph W. Nielsen; Akira Tokurio; Robert Hiromoto; Jivan Khatry

    2014-06-01

    Traditional Probabilistic Risk Assessment (PRA) methods have been developed and are quite effective in evaluating risk associated with complex systems, but lack the capability to evaluate complex dynamic systems. These time and energy scales associated with the transient may vary as a function of transition time to a different physical state. Dynamic PRA (DPRA) methods provide a more rigorous analysis of complex dynamic systems, while complete, results in issues associated with combinatorial explosion. In order to address the combinatorial complexity arising from the number of possible state configurations and discretization of transition times, a characteristic scaling metric (LENDIT length, energy, number, distribution, information and time) is proposed as a means to describe systems uniformly and thus provide means to describe relational constraints expected in the dynamics of a complex (coupled) systems. Thus when LENDIT is used to characterize four sets state, system, resource and response (S2R2) describing reactor operations (normal and off-normal), LENDIT and S2R2 in combination have the potential to branch and bound the state space investigated by DPRA. In this paper we introduce the concept of LENDIT scales and S2R2 sets applied to a branch-and-bound algorithm and apply the methods to a station black out transient (SBO).

  20. Estimation of the Dynamic States of Synchronous Machines Using an Extended Particle Filter

    SciTech Connect (OSTI)

    Zhou, Ning; Meng, Da; Lu, Shuai

    2013-11-11

    In this paper, an extended particle filter (PF) is proposed to estimate the dynamic states of a synchronous machine using phasor measurement unit (PMU) data. A PF propagates the mean and covariance of states via Monte Carlo simulation, is easy to implement, and can be directly applied to a non-linear system with non-Gaussian noise. The extended PF modifies a basic PF to improve robustness. Using Monte Carlo simulations with practical noise and model uncertainty considerations, the extended PFs performance is evaluated and compared with the basic PF and an extended Kalman filter (EKF). The extended PF results showed high accuracy and robustness against measurement and model noise.

  1. Dynamic nuclear polarization solid-state NMR in heterogeneous catalysis research

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

    Kobayashi, Takeshi; Perras, Frédéric A.; Slowing, Igor I.; Sadow, Aaron D.; Pruski, Marek

    2015-10-20

    In this study, a revolution in solid-state nuclear magnetic resonance (SSNMR) spectroscopy is taking place, attributable to the rapid development of high-field dynamic nuclear polarization (DNP), a technique yielding sensitivity improvements of 2–3 orders of magnitude. This higher sensitivity in SSNMR has already impacted materials research, and the implications of new methods on catalytic sciences are expected to be profound.

  2. Discrimination of nuclear spin isomers exploiting the excited state dynamics of a quinodimethane derivative

    SciTech Connect (OSTI)

    Obaid, Rana; Kinzel, Daniel; Oppel, Markus González, Leticia

    2014-10-28

    Despite the concept of nuclear spin isomers (NSIs) exists since the early days of quantum mechanics, only few approaches have been suggested to separate different NSIs. Here, a method is proposed to discriminate different NSIs of a quinodimethane derivative using its electronic excited state dynamics. After electronic excitation by a laser field with femtosecond time duration, a difference in the behavior of several quantum mechanical operators can be observed. A pump-probe experimental approach for separating these different NSIs is then proposed.

  3. Dynamics of cavity fields with dissipative and amplifying couplings through multiple quantum two-state systems

    SciTech Connect (OSTI)

    Haeyrynen, Teppo; Oksanen, Jani; Tulkki, Jukka [Department of Biomedical Engineering and Computational Science, Aalto University School of Science and Technology, P. O. Box 12200, FI-00076 AALTO (Finland)

    2011-01-15

    We consider simultaneous dissipative and amplifying coupling of cavity fields to multiple two-state systems. We derive a master equation for optical field in a leaky cavity coupled to a reservoir through multiple two-state systems. In our previous works we have limited our study to systems where the reservoir either solely absorbs energy (detector setup) or adds energy (amplifying setup) to the cavity through a single two-state system. In this work we allow both interactions simultaneously and derive a reduced dynamic model for the optical field. We also generalize our model to cover the coupling of the field to several two state systems and discuss its connection to macroscopic interaction, e.g., in semiconductors. Our model includes four physical parameters: the field two-state system coupling {gamma}, the excitation and deexcitation couplings of the two-state system by the reservoir {lambda}{sub A} and {lambda}{sub D}, respectively, and the mirror losses of the cavity C. We solve the steady-state fields at different regimes of these physical parameters. Furthermore, we show that, depending on the parameters, our model can describe the operation of a detector, a light emitting diode, or a laser.

  4. Local Soot Loading Distribution in Cordierite Diesel Particulate Filters by Dynamic Neutron Radiography

    Broader source: Energy.gov [DOE]

    Quantitative analysis of the soot loading and soot distribution for Cordierite type DPFs are studied under controlled conditions.

  5. Theory of gyroresonance and free-free emissions from non-Maxwellian quasi-steady-state electron distributions

    SciTech Connect (OSTI)

    Fleishman, Gregory D.; Kuznetsov, Alexey A.

    2014-02-01

    Currently there is a concern about the ability of the classical thermal (Maxwellian) distribution to describe quasi-steady-state plasma in the solar atmosphere, including active regions. In particular, other distributions have been proposed to better fit observations, for example, kappa- and n-distributions. If present, these distributions will generate radio emissions with different observable properties compared with the classical gyroresonance (GR) or free-free emission, which implies a way of remotely detecting these non-Maxwellian distributions in the radio observations. Here we present analytically derived GR and free-free emissivities and absorption coefficients for the kappa- and n-distributions, and discuss their properties, which are in fact remarkably different from each other and from the classical Maxwellian plasma. In particular, the radio brightness temperature from a gyrolayer increases with the optical depth τ for kappa-distribution, but decreases with τ for n-distribution. This property has a remarkable consequence allowing a straightforward observational test: the GR radio emission from the non-Maxwellian distributions is supposed to be noticeably polarized even in the optically thick case, where the emission would have strictly zero polarization in the case of Maxwellian plasma. This offers a way of remote probing the plasma distribution in astrophysical sources, including solar active regions as a vivid example.

  6. Dynamical description of the moments of the energy distribution of fission fragments and scission of a fissile nucleus

    SciTech Connect (OSTI)

    Borunov, M. V., E-mail: bmv@opsb.ru; Nadtochy, P. N.; Adeev, G. D. [Omsk State University (Russian Federation)

    2007-11-15

    A multidimensional stochastic approach to fission dynamics on the basis of three-dimensional Langevin equations is applied systematically to calculating the first four moments of the energy distribution of fission fragments over a broad range of Coulomb parameter values (700 < Z{sup 2}/A{sup 1/3} < 1700). For the scission of a fissile nucleus into fragments, use was made of various criteria traditional in modern fission theory: the vanishing of the neck radius at the scission instant and the equality of the neck radius to about 0.3R{sub 0} at this instant. In calculating the energy distribution, both of the criteria used lead to a fairly good description of experimental data on the first two moments and to a satisfactory description of data on the third and fourth moments of the distribution. However, the quality of the description of available experimental data is insufficiently good for giving preference to any of these criteria. Within three-dimensional Langevin dynamics, it is shown that the vanishing-radius criterion leads to unexpectably good agreement with experimental data on the first four moments of the energy distribution. A modified version of one-body dissipation where the coefficient that takes into account the reduction of the wall-formula contribution was set to k{sub s} = 0.25 was used in the calculations.

  7. Simulations of fluorescence solvatochromism in substituted PPV oligomers from excited state molecular dynamics with implicit solvent

    SciTech Connect (OSTI)

    Bjorgaard, J. A.; Nelson, T.; Kalinin, K.; Kuzmenko, V.; Velizhanin, K. A.; Tretiak, S.

    2015-04-28

    In this study, an efficient method of treating solvent effects in excited state molecular dynamics (ESMD) is implemented and tested by exploring the solvatochromic effects in substituted p-phenylene vinylene oligomers. A continuum solvent model is used which has very little computational overhead. This allows simulations of ESMD with solvent effects on the scale of hundreds of picoseconds for systems of up to hundreds of atoms. At these time scales, solvatochromic shifts in fluoresence spectra can be described. Solvatochromic shifts in absorption and fluorescence spectra from ESMD are compared with time-dependent density functional theory calculations and experiments.

  8. Semiclassical states, effective dynamics, and classical emergence in loop quantum cosmology

    SciTech Connect (OSTI)

    Singh, Parampreet; Vandersloot, Kevin

    2005-10-15

    We construct physical semiclassical states annihilated by the Hamiltonian constraint operator in the framework of loop quantum cosmology as a method of systematically determining the regime and validity of the semiclassical limit of the quantum theory. Our results indicate that the evolution can be effectively described using continuous classical equations of motion with nonperturbative corrections down to near the Planck scale below which the Universe can only be described by the discrete quantum constraint. These results, for the first time, provide concrete evidence of the emergence of classicality in loop quantum cosmology and also clearly demarcate the domain of validity of different effective theories. We prove the validity of modified Friedmann dynamics incorporating discrete quantum geometry effects which can lead to various new phenomenological applications. Furthermore the understanding of semiclassical states allows for a framework for interpreting the quantum wave functions and understanding questions of a semiclassical nature within the quantum theory of loop quantum cosmology.

  9. Ethanol Distribution, Dispensing, and Use: Analysis of a Portion of the Biomass-to-Biofuels Supply Chain Using System Dynamics

    SciTech Connect (OSTI)

    Vimmerstedt, L. J.; Bush, B.; Peterson, S.

    2012-05-01

    The Energy Independence and Security Act of 2007 targets use of 36 billion gallons of biofuels per year by 2022. Achieving this may require substantial changes to current transportation fuel systems for distribution, dispensing, and use in vehicles. The U.S. Department of Energy and the National Renewable Energy Laboratory designed a system dynamics approach to help focus government action by determining what supply chain changes would have the greatest potential to accelerate biofuels deployment. The National Renewable Energy Laboratory developed the Biomass Scenario Model, a system dynamics model which represents the primary system effects and dependencies in the biomass-to-biofuels supply chain. The model provides a framework for developing scenarios and conducting biofuels policy analysis. This paper focuses on the downstream portion of the supply chain-represented in the distribution logistics, dispensing station, and fuel utilization, and vehicle modules of the Biomass Scenario Model. This model initially focused on ethanol, but has since been expanded to include other biofuels. Some portions of this system are represented dynamically with major interactions and feedbacks, especially those related to a dispensing station owner's decision whether to offer ethanol fuel and a consumer's choice whether to purchase that fuel. Other portions of the system are modeled with little or no dynamics; the vehicle choices of consumers are represented as discrete scenarios. This paper explores conditions needed to sustain an ethanol fuel market and identifies implications of these findings for program and policy goals. A large, economically sustainable ethanol fuel market (or other biofuel market) requires low end-user fuel price relative to gasoline and sufficient producer payment, which are difficult to achieve simultaneously. Other requirements (different for ethanol vs. other biofuel markets) include the need for infrastructure for distribution and dispensing and

  10. Equation of state of dense plasmas: Orbital-free molecular dynamics as the limit of quantum molecular dynamics for high-Z elements

    SciTech Connect (OSTI)

    Danel, J.-F.; Blottiau, P.; Kazandjian, L.; Piron, R.; Torrent, M.

    2014-10-15

    The applicability of quantum molecular dynamics to the calculation of the equation of state of a dense plasma is limited at high temperature by computational cost. Orbital-free molecular dynamics, based on a semiclassical approximation and possibly on a gradient correction, is a simulation method available at high temperature. For a high-Z element such as lutetium, we examine how orbital-free molecular dynamics applied to the equation of state of a dense plasma can be regarded as the limit of quantum molecular dynamics at high temperature. For the normal mass density and twice the normal mass density, we show that the pressures calculated with the quantum approach converge monotonically towards those calculated with the orbital-free approach; we observe a faster convergence when the orbital-free approach includes the gradient correction. We propose a method to obtain an equation of state reproducing quantum molecular dynamics results up to high temperatures where this approach cannot be directly implemented. With the results already obtained for low-Z plasmas, the present study opens the way for reproducing the quantum molecular dynamics pressure for all elements up to high temperatures.

  11. Temporal evolution of ion energy distribution functions and ion charge states of Cr and Cr-Al pulsed arc plasmas

    SciTech Connect (OSTI)

    Tanaka, Koichi; Anders, André

    2015-11-15

    To study the temporal evolution of ion energy distribution functions, charge-state-resolved ion energy distribution functions of pulsed arc plasmas from Cr and Cr-Al cathodes were recorded with high time resolution by using direct data acquisition from a combined energy and mass analyzer. The authors find increases in intensities of singly charged ions, which is evidence that charge exchange reactions took place in both Cr and Cr-Al systems. In Cr-Al plasmas, the distributions of high-charge-state ions exhibit high energy tails 50 μs after discharge ignition, but no such tails were observed at 500 μs. The energy ratios of ions of different charge states at the beginning of the pulse, when less neutral atoms were in the space in front of the cathode, suggest that ions are accelerated by an electric field. The situation is not so clear after 50 μs due to particle collisions. The initial mean ion charge state of Cr was about the same in Cr and in Cr-Al plasmas, but it decreased more rapidly in Cr-Al plasmas compared to the decay in Cr plasma. The faster decay of the mean ion charge state and ion energy caused by the addition of Al into a pure Cr cathode suggests that the mean ion charge state is determined not only by ionization processes at the cathode spot but also by inelastic collision between different elements.

  12. Energetics and dynamics of solvent reorganization in charge-transfer excited states

    SciTech Connect (OSTI)

    Kozik, M.; Sutin, N.; Winkler, J.R.

    1989-01-01

    The dynamics of solvation of the Ru(bpy){sub 2}(CN){sub 2} metal-to-ligand charge-transfer excited state have been examined in a series of aliphatic alcohols. Steady-state emission spectra recorded at low temperature ({approx} 10 K) and at room temperature were used to resolve internal-mode and solvent contributions to the emission bandshape. Time-resolved emission spectra were fit to a model that takes into account internal-mode distortions as well as time-dependent broadening and shifts in emission maxima. A single- exponential solvent relaxation function does not adequately describe the temporal development of the emission profile of Ru(bpy){sub 2}(CN){sub 2} in alcohols. The evolution of the emission spectrum is clearly biphasic, and can be reasonably fit with a biexponential function. The slower of the two relaxation times is comparable to the longest longitudinal relaxation time reported for the bulk solvent. These slower components, however, represent less than half of the overall approach to equilibrium. Local heating due to above-threshold excitation, and local solvent relaxation are two likely sources of the faster dynamics. 25 refs., 3 figs., 2 tabs.

  13. Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

    SciTech Connect (OSTI)

    Morini, Filippo; Deleuze, Michael Simon; Watanabe, Noboru; Kojima, Masataka; Takahashi, Masahiko

    2015-10-07

    The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b{sub 1}, 6a{sub 1}, 4b{sub 2}, and 1a{sub 2} orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A{sub 1}, B{sub 1}, and B{sub 2} symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.

  14. 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.

  15. Optimizing a dynamical decoupling protocol for solid-state electronic spin ensembles in diamond

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

    Farfurnik, D.; Jarmola, A.; Pham, L. M.; Wang, Z. H.; Dobrovitski, V. V.; Walsworth, R. L.; Budker, D.; Bar-Gill, N.

    2015-08-24

    In this study, we demonstrate significant improvements of the spin coherence time of a dense ensemble of nitrogen-vacancy (NV) centers in diamond through optimized dynamical decoupling (DD). Cooling the sample down to 77 K suppresses longitudinal spin relaxation T1 effects and DD microwave pulses are used to increase the transverse coherence time T2 from ~0.7ms up to ~30ms. Furthermore, we extend previous work of single-axis (Carr-Purcell-Meiboom-Gill) DD towards the preservation of arbitrary spin states. Following a theoretical and experimental characterization of pulse and detuning errors, we compare the performance of various DD protocols. We also identify that the optimal controlmore » scheme for preserving an arbitrary spin state is a recursive protocol, the concatenated version of the XY8 pulse sequence. The improved spin coherence might have an immediate impact on improvements of the sensitivities of ac magnetometry. Moreover, the protocol can be used on denser diamond samples to increase coherence times up to NV-NV interaction time scales, a major step towards the creation of quantum collective NV spin states.« less

  16. Optimizing a dynamical decoupling protocol for solid-state electronic spin ensembles in diamond

    SciTech Connect (OSTI)

    Farfurnik, D.; Jarmola, A.; Pham, L. M.; Wang, Z. H.; Dobrovitski, V. V.; Walsworth, R. L.; Budker, D.; Bar-Gill, N.

    2015-08-24

    In this study, we demonstrate significant improvements of the spin coherence time of a dense ensemble of nitrogen-vacancy (NV) centers in diamond through optimized dynamical decoupling (DD). Cooling the sample down to 77 K suppresses longitudinal spin relaxation T1 effects and DD microwave pulses are used to increase the transverse coherence time T2 from ~0.7ms up to ~30ms. Furthermore, we extend previous work of single-axis (Carr-Purcell-Meiboom-Gill) DD towards the preservation of arbitrary spin states. Following a theoretical and experimental characterization of pulse and detuning errors, we compare the performance of various DD protocols. We also identify that the optimal control scheme for preserving an arbitrary spin state is a recursive protocol, the concatenated version of the XY8 pulse sequence. The improved spin coherence might have an immediate impact on improvements of the sensitivities of ac magnetometry. Moreover, the protocol can be used on denser diamond samples to increase coherence times up to NV-NV interaction time scales, a major step towards the creation of quantum collective NV spin states.

  17. Excited state carrier dynamics in CdS{sub x}Se{sub 1-x} semisconductor alloys as studied by ultrafast fluorescence spectroscopy

    SciTech Connect (OSTI)

    Gadd, S.E.

    1995-08-01

    This dissertation discusses studies of the electron-hole pair dynamics of CdS{sub x}Se{sub 1-x} semiconductor alloys for the entire compositional range from x = 1 to x = 0 as examined by the ultrafast fluorescence techniques of time correlated single photon counting and fluorescence upconversion. Specifically, samples with x = 1, .75, .5, .25, and 0 were studied each at a spread of wavelengths about its respective emission maximum which varies according to {lambda} = 718nm - 210x nm. The decays of these samples were found to obey a Kohlrausch distribution, exp [(t/{tau}){sup {beta}}], with the exponent 3 in the range .5-.7 for the alloys. These results are in agreement with those expected for localization due to local potential variations resulting from the random distribution of sulfur and selenium atoms on the element VI A sub-lattice. This localization can be understood in terms of Anderson localization of the holes in states whose energy distribution tails into the forbidden energy band-gap. Because these states have energy dependent lifetimes, the carriers can decay via many parallel channels. This distribution of channels is the ultimate source of the Kohlrausch form of the fluorescence decays.

  18. Dynamics of energy distribution in three channel alpha helix protein based on Davydov’s ansatz

    SciTech Connect (OSTI)

    Ahmad, Faozan; Alatas, Husin

    2015-04-16

    An important aspect of many biological processes at molecular level is the transfer and storage mechanism of bioenergy released in the reaction of the hydrolysis of Adenosinetriphosphate (ATP) by biomacromolecule especially protein. Model of Soliton Davydov is a new break-through that could describe that mechanism. Here we have reformulated quantum mechanical the Davydov theory, using least action principle. Dynamical aspect of the model is analyzed by numerical calculation. We found two dynamical cases: the traveling and pinning soliton that we suggest they are related to the energy transfer and storage mechanism in the protein. Traveling and pinning soliton can be controlled by strength of coupling. In 3- channel approach, we found the breather phenomena in which its frequency is determined by interchannel coupling parameter.

  19. Dynamics of Water Associated with Lithium Ions Distributed in Polyethylene Oxide

    SciTech Connect (OSTI)

    Zhang, Zhe; Ohl, Michael; Diallo, Souleymane O.; Jalarvo, Niina H.; Hong, Kunlun; Han, Youngkyu; Smith, Gregory S.; Do, Changwoo

    2015-11-03

    We studied the dynamics of water in polyethylene oxide (PEO)/LiCl solution with quasielastic neutron scattering experiments and molecular dynamics (MD) simulations. Two different time scales of water diffusion representing interfacial water and bulk water dynamics have been identified. Furthermore, the measured diffusion coefficient of interfacial water remained 5–10 times smaller than that of bulk water, but both were slowed by approximately 50% in the presence of Li+. Detailed analysis of MD trajectories suggests that Li+ is favorably found at the surface of the hydration layer, and the probability to find the caged Li+ configuration formed by the PEO is lower than for the noncaged Li+-PEO configuration. In both configurations, however, the slowing down of water molecules is driven by reorienting water molecules and creating water-Li+ hydration complexes. Moreover, performing the MD simulation with different ions (Na+ and K+) revealed that smaller ionic radius of the ions is a key factor in disrupting the formation of PEO cages by allowing spaces for water molecules to come in between the ion and PEO.

  20. Dynamics of Water Associated with Lithium Ions Distributed in Polyethylene Oxide

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

    Zhang, Zhe; Ohl, Michael; Diallo, Souleymane O.; Jalarvo, Niina H.; Hong, Kunlun; Han, Youngkyu; Smith, Gregory S.; Do, Changwoo

    2015-11-03

    We studied the dynamics of water in polyethylene oxide (PEO)/LiCl solution with quasielastic neutron scattering experiments and molecular dynamics (MD) simulations. Two different time scales of water diffusion representing interfacial water and bulk water dynamics have been identified. Furthermore, the measured diffusion coefficient of interfacial water remained 5–10 times smaller than that of bulk water, but both were slowed by approximately 50% in the presence of Li+. Detailed analysis of MD trajectories suggests that Li+ is favorably found at the surface of the hydration layer, and the probability to find the caged Li+ configuration formed by the PEO is lowermore » than for the noncaged Li+-PEO configuration. In both configurations, however, the slowing down of water molecules is driven by reorienting water molecules and creating water-Li+ hydration complexes. Moreover, performing the MD simulation with different ions (Na+ and K+) revealed that smaller ionic radius of the ions is a key factor in disrupting the formation of PEO cages by allowing spaces for water molecules to come in between the ion and PEO.« less

  1. When do we need to account for the geometric phase in excited state dynamics?

    SciTech Connect (OSTI)

    Ryabinkin, Ilya G.; Joubert-Doriol, Loc; Izmaylov, Artur F.

    2014-06-07

    We investigate the role of the geometric phase (GP) in an internal conversion process when the system changes its electronic state by passing through a conical intersection (CI). Local analysis of a two-dimensional linear vibronic coupling (LVC) model Hamiltonian near the CI shows that the role of the GP is twofold. First, it compensates for a repulsion created by the so-called diagonal BornOppenheimer correction. Second, the GP enhances the non-adiabatic transition probability for a wave-packet part that experiences a central collision with the CI. To assess the significance of both GP contributions we propose two indicators that can be computed from parameters of electronic surfaces and initial conditions. To generalize our analysis to N-dimensional systems we introduce a reduction of a general N-dimensional LVC model to an effective 2D LVC model using a mode transformation that preserves short-time dynamics of the original N-dimensional model. Using examples of the bis(methylene) adamantyl and butatriene cations, and the pyrazine molecule we have demonstrated that their effective 2D models reproduce the short-time dynamics of the corresponding full dimensional models, and the introduced indicators are very reliable in assessing GP effects.

  2. State Research, Outreach, and Technical Assistance to Imrove the Nation's Transmission & Distribution System

    SciTech Connect (OSTI)

    J. Fox; M. Keogh; A. Spahn

    2009-05-20

    The broad purpose of this project was to work cooperatively with the DOE to explore technology nad policy issues associated with more efficient, reliable, and affordable electric transmission and distribution use.

  3. Counting Jobs and Economic Impacts from Distributed Wind in the United States (Poster)

    SciTech Connect (OSTI)

    Tegen, S.

    2014-05-01

    This conference poster describes the distributed wind Jobs and Economic Development Imapcts (JEDI) model. The goal of this work is to provide a model that estimates jobs and other economic effects associated with the domestic distributed wind industry. The distributed wind JEDI model is a free input-output model that estimates employment and other impacts resulting from an investment in distributed wind installations. Default inputs are from installers and industry experts and are based on existing projects. User input can be minimal (use defaults) or very detailed for more precise results. JEDI can help evaluate potential scenarios, current or future; inform stakeholders and decision-makers; assist businesses in evaluating economic development impacts and estimating jobs; assist government organizations with planning and evaluating and developing communities.

  4. Domestic and Foreign Distribution of U.S. Coal by State of Origin...

    U.S. Energy Information Administration (EIA) Indexed Site

    1 " "State Region ","Domestic ","Foreign ","Total "," " "Alabama ",14828,4508,19336," " "Alaska ",825,698,1524," " "Arizona ",13143,"-",13143," " "Arkansas ",13,"-",13," "...

  5. Domestic and Foreign Distribution of U.S. Coal by State of Origin...

    U.S. Energy Information Administration (EIA) Indexed Site

    4 (Thousand Short Tons) " "State Region ","Domestic ","Foreign ","Total "," " "Alabama",18367,3744,22111," " "Alaska",957,546,1502," " "Arizona",13041,"-",13041," "...

  6. Investigation of the dynamics of gluon distributions in the production of heavy quarks and quarkonia at the LEP2 collider

    SciTech Connect (OSTI)

    Lipatov, A. V.

    2006-09-15

    The inclusive production of heavy quarks and quarkonia in photon-photon collisions at the LEP2 collider is considered within the semihard (k{sub T}-factorization) QCD approach. The dependence of the total and differential cross sections for the production of heavy (c and b) quarks and D* and J/{psi} mesons on the choice of unintegrated gluon distribution is studied. The transition of a cc-bar charmed pair to observed J/{psi} mesons is described on the basis of the color-singlet model. The results of the calculations are compared with currently available experimental data obtained by the L3, OPAL, ALEPH, and DELPHI Collaborations. It is shown that the polarization properties of J/{psi} mesons at the LEP2 collider are sensitive to the behavior of unintegrated gluon distributions. This means that experimental investigations of the polarization properties of quarkonia in photon-photon collisions may provide a direct test of the dynamics of gluon distributions in the photon.

  7. Strategic Sequencing for State Distributed PV Policies: Program Overviews (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2012-11-01

    A fact sheet describing a new analysis report that aims to help state officials and policymakers expand markets for solar technologies and ultimately reduce the cost of installed solar nationwide.

  8. The Effect of Shear Wall Distribution on the Dynamics of Reinforced Concrete Structures

    SciTech Connect (OSTI)

    Helou, S. H.; Touqan, A. R.

    2008-07-08

    The inclusion of a soft storey in multistory concrete buildings is a feature gaining popularity in urban areas where land is of exorbitant cost. In earthquake prone zones, this feature has been observed in post earthquake investigations. Although engineers are prepared to accept the notion that a soft storey poses a weak link in Seismic Design, yet the idea demands better understanding. The following study illustrates the importance of the judicious distribution of shear walls. The selected building is analyzed through nine numerical models which address the behavior of framed structures. The parameters discussed include, inter alias, the fundamental period of vibration, lateral displacements, axial and shear forces. It is noticed that an abrupt change in stiffness between the soft storey and the level above is responsible for increasing the strength demand on first storey columns. Extending the elevator shafts throughout the soft storey is strongly recommended.

  9. Distributed Hierarchical Control Architecture for Transient Dynamics Improvement in Power Systems

    SciTech Connect (OSTI)

    Marinovici, Laurentiu D.; Lian, Jianming; Kalsi, Karanjit; Du, Pengwei; Elizondo, Marcelo A.

    2013-08-24

    In this paper, a novel distributed hierarchical coordinated control architecture is proposed for large scale power systems. The newly considered architecture facilitates frequency restoration and power balancing functions to be decoupled and implemented at different levels. At the local level, decentralized robust generator controllers are designed to quickly restore frequency after large faults and disturbances in the system. The controllers presented herein are shown to improve transient stability performance, as compared to conventional governor and excitation control. At the area level, Automatic Generation Control (AGC) is modified and coordinates with the decentralized robust controllers to reach the interchange schedule in the tie lines. The interaction of local and zonal controllers is validated through detailed simulations.

  10. Electric utilities monthly sales and revenue report with state distributions, 1991-1992 (EIA-826H). Data file

    SciTech Connect (OSTI)

    1992-12-31

    Data regarding electricity sales (megawatthours) and associated revenue (thousand dollars) are submitted to the Energy Information Administration (EIA) by selected electric utilities on the Form EIA-826, Monthly Electric Utility Sales and Revenue Report with State Distributions. The Form EIA-826 survey is a statistical sample drawn from the respondents to the Form EIA-861, Annual Electric Utility Report. The monthly survey consists of the utilities with the largest sales within each state and a stratified random sample of the remaining utilities. The form EIA-826 is designed to facilitate the estimation of electricity sales and associated revenue at the National Census Division, and state level, by class of consumer. These estimates in turn, can be used to calculate average revenue per milowatthour and estimates of sales, revenue, and average revenue per kilowatthour coefficients of variation.

  11. Electric utilities monthly sales and revenue report with state distributions, 1991-1992 (EIA-826H). Data file

    SciTech Connect (OSTI)

    Not Available

    1992-01-01

    Data regarding electricity sales (megawatthours) and associated revenue (thousand dollars) are submitted to the Energy Information Administration (EIA) by selected electric utilities on the Form EIA-826, Monthly Electric Utility Sales and Revenue Report with State Distributions. The Form EIA-826 survey is a statistical sample drawn from the respondents to the Form EIA-861, Annual Electric Utility Report. The monthly survey consists of the utilities with the largest sales within each state and a stratified random sample of the remaining utilities. The form EIA-826 is designed to facilitate the estimation of electricity sales and associated revenue at the National Census Division, and state level, by class of consumer. These estimates in turn, can be used to calculate average revenue per milowatthour and estimates of sales, revenue, and average revenue per kilowatthour coefficients of variation.

  12. United States Supports Distributed Wind Technology Improvements; NREL (National Renewable Energy Laboratory)

    SciTech Connect (OSTI)

    Sinclair, Karin

    2015-06-15

    This presentation provides information on the activities conducted through the Competitiveness Improvement Project (CIP), initiated in 2012 by the U.S. Department of Energy (DOE) and executed through the National Renewable Energy Laboratory (NREL) to support the distributed wind industry. The CIP provides research and development funding and technical support to improve distributed wind turbine technology and increase the competitiveness of U.S. small and midsize wind turbine manufacturers. Through this project, DOE/NREL assists U.S. manufacturers to lower the levelized cost of energy of wind turbines through component improvements, manufacturing process upgrades, and turbine testing. Ultimately, this support is expected to lead to turbine certification through testing to industry-recognized wind turbine performance and safety standards.

  13. Spatially distributed flame transfer functions for predicting combustion dynamics in lean premixed gas turbine combustors

    SciTech Connect (OSTI)

    Kim, K.T.; Lee, J.G.; Quay, B.D.; Santavicca, D.A.

    2010-09-15

    The present paper describes a methodology to improve the accuracy of prediction of the eigenfrequencies and growth rates of self-induced instabilities and demonstrates its application to a laboratory-scale, swirl-stabilized, lean-premixed, gas turbine combustor. The influence of the spatial heat release distribution is accounted for using local flame transfer function (FTF) measurements. The two-microphone technique and CH{sup *} chemiluminescence intensity measurements are used to determine the input (inlet velocity perturbation) and the output functions (heat release oscillation), respectively, for the local flame transfer functions. The experimentally determined local flame transfer functions are superposed using the flame transfer function superposition principle, and the result is incorporated into an analytic thermoacoustic model, in order to predict the linear stability characteristics of a given system. Results show that when the flame length is not acoustically compact the model prediction calculated using the local flame transfer functions is better than the prediction made using the global flame transfer function. In the case of a flame in the compact flame regime, accurate predictions of eigenfrequencies and growth rates can be obtained using the global flame transfer function. It was also found that the general response characteristics of the local FTF (gain and phase) are qualitatively the same as those of the global FTF. (author)

  14. Table lamp with dynamically controlled lighting distribution and uniformly illuminated luminous shade

    DOE Patents [OSTI]

    Siminovitch, Michael J.; Page, Erik R.

    2002-01-01

    A double lamp table or floor lamp lighting system has a pair of compact fluorescent lamps (CFLs) or other lamps arranged vertically, i.e. one lamp above the other, with a reflective septum in between. By selectively turning on one or both of the CFLs, down lighting, up lighting, or both up and down lighting is produced. The control system can also vary the light intensity from each CFL. The reflective septum ensures that almost all the light produced by each lamp will be directed into the desired light distribution pattern which is selected and easily changed by the user. In a particular configuration, the reflective septum is bowl shaped, with the upper CFL sitting in the bowl, and a luminous shade hanging down from the bowl. The lower CFL provides both task lighting and uniform shade luminance. Planar compact fluorescent lamps, e.g. circular CFLs, particularly oriented horizontally, are preferable. CFLs provide energy efficiency. However, other types of lamps, including incandescent, halogen, and LEDs can also be used in the fixture. The lighting system may be designed for the home, hospitality, office or other environments.

  15. Environmental Data from the ORNL Distributed Active Archive Center (DAAC) for Biogeochemical Dynamics

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

    The Oak Ridge National Laboratory Distributed Active Archive Center (ORNL DAAC) is a NASA-sponsored source for biogeochemical and ecological data and models useful in environmental research. Data have been collected on the ground, by aircraft, by satellite, and from computer models. The extent of data and model products ranges from site specific to global, and durations range from days to years. Data products and models are free, but users must typically register. Major field campaigns with available data include: • The Boreal Ecosystem - Atmosphere Study (BOREAS) • The First ISLSCP (International Satellite Land Surface Climatology Project) Field Experiment (FIFE) Project) • The Large-Scale Biosphere - Atmosphere Experiment in Amazonia (LBA) • The North American Carbon Program (NACP) • Oregon Transect Ecosystem Research (OTTER) Project • The SAFARI 2000 (S2K) Project in Africa • Superior National Forest(SNF)Project Validation projects with available data include: • BigFoot • The Accelerated Canopy Chemistry Program (ACCP) • The EOS Land Validation Project • FLUXNET • MODIS • The Prototype Validation Exercise (PROVE) The ORNL DAAC also provides access to data for many regional and global projects and to a model archive. (Specialized Interface)(Registration Required)

  16. Utilizing multiple state variables to improve the dynamic range of analog switching in a memristor

    SciTech Connect (OSTI)

    Jeong, YeonJoo; Kim, Sungho; Lu, Wei D.

    2015-10-26

    Memristors and memristive systems have been extensively studied for data storage and computing applications such as neuromorphic systems. To act as synapses in neuromorphic systems, the memristor needs to exhibit analog resistive switching (RS) behavior with incremental conductance change. In this study, we show that the dynamic range of the analog RS behavior can be significantly enhanced in a tantalum-oxide-based memristor. By controlling different state variables enabled by different physical effects during the RS process, the gradual filament expansion stage can be selectively enhanced without strongly affecting the abrupt filament length growth stage. Detailed physics-based modeling further verified the observed experimental effects and revealed the roles of oxygen vacancy drift and diffusion processes, and how the diffusion process can be selectively enhanced during the filament expansion stage. These findings lead to more desirable and reliable memristor behaviors for analog computing applications. Additionally, the ability to selectively control different internal physical processes demonstrated in the current study provides guidance for continued device optimization of memristor devices in general.

  17. State

    U.S. Energy Information Administration (EIA) Indexed Site

    Created on: 8/26/2016 3:22:30 PM Table 2. Natural gas consumption in the United States, 2011-2016 (billion cubic feet, or as indicated) Year and Month Lease and Plant Fuel a Pipeline and Distribution Use b Delivered to Consumers Total Consumption Heating Value c (Btu per cubic foot) Residential Commercial Industrial Electric Power Vehicle Fuel Total 2011 Total 1,323 688 4,714 3,155 6,994 7,574 30 22,467 24,477 1,022 2012 Total 1,396 731 4,150 2,895 7,226 9,111 30 23,411 25,538 1,024 2013 Total

  18. Properly Understanding the Impacts of Distributed Resources on Distribution Systems

    SciTech Connect (OSTI)

    Rizy, D Tom; Li, Fangxing; Li, Huijuan; Adhikari, Sarina; Kueck, John D

    2010-01-01

    The subject paper discusses important impacts of distributed resources on distribution networks and feeders. These include capacity, line losses, voltage regulation, and central system support (such as volt/var via central generators and substation) as the number, placement and penetration levels of distributed resources are varied. Typically, the impacts of distributed resources on the distribution system are studied by using steady-state rather than dynamic analysis tools. However, the response time and transient impacts of both system equipment (such as substation/feeder capacitors) and distributed resources needs to be taken into account and only dynamic analysis will provide the full impact results. ORNL is wrapping up a study of distributed resources interconnected to a large distribution system considering the above variables. A report of the study and its results will be condensed into a paper for this panel session. The impact of distributed resources will vary as the penetration level reaches the capacity of the distribution feeder/system. The question is how high of a penetration of distributed resource can be accommodated on the distribution feeder/system without any major changes to system operation, design and protection. The impacts most surely will vary depending upon load composition, distribution and level. Also, it is expected that various placement of distributed resources will impact the distribution system differently.

  19. Code System for Transient and Steady-State Temperature Distribution in Multidimensional Systems.

    SciTech Connect (OSTI)

    EDWARDS, ARTHUR L.

    2005-10-24

    Version 01 TRUMP solves a general nonlinear parabolic partial differential equation describing flow in various kinds of potential fields, such as fields of temperature, pressure, or electricity and magnetism; simultaneously, it will solve two additional equations representing, in thermal problems, heat production by decomposition of two reactants having rate constants with a general Arrhenius temperature dependence. Steady‑state and transient flow in one, two, or three dimensions are considered in geometrical configurations having simple or complex shapes and structures. Problem parameters may vary with spatial position, time, or primary dependent variables, temperature, pressure, or field strength. Initial conditions may vary with spatial position, and among the criteria that may be specified for ending a problem are upper and lower limits on the size of the primary dependent variable, upper limits on the problem time or on the number of time‑steps or on the computer time, and attainment of steady state.

  20. Code System for Transient and Steady-State Temperature Distribution in Multidimensional Systems.

    Energy Science and Technology Software Center (OSTI)

    2005-10-24

    Version 01 TRUMP solves a general nonlinear parabolic partial differential equation describing flow in various kinds of potential fields, such as fields of temperature, pressure, or electricity and magnetism; simultaneously, it will solve two additional equations representing, in thermal problems, heat production by decomposition of two reactants having rate constants with a general Arrhenius temperature dependence. Steady‑state and transient flow in one, two, or three dimensions are considered in geometrical configurations having simple or complexmore » shapes and structures. Problem parameters may vary with spatial position, time, or primary dependent variables, temperature, pressure, or field strength. Initial conditions may vary with spatial position, and among the criteria that may be specified for ending a problem are upper and lower limits on the size of the primary dependent variable, upper limits on the problem time or on the number of time‑steps or on the computer time, and attainment of steady state.« less

  1. 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, ...

  2. Distribution of Mississippian oolites and associated hydrocarbon production in the United States

    SciTech Connect (OSTI)

    Keith, B.D.; Zuppann, C.W. )

    1989-12-01

    Mississippian oolites (oolitic limestones) are widely distributed across the continental US, and are economically important as hydrocarbon reservoirs. Initial understanding of Mississippian oolitic reservoirs comes from an overview of the Mississippian depositional framework and a review of published literature on depositional models for Mississippian oolites and associated facies. The Mississippian was divided into four intervals corresponding approximately to the following stages: Kinderhookian (interval A), early Valmeyeran or Osagian (interval B), late Valmeyeran or Meramercian (interval C), and Chesterian (interval D). These intervals, which are not unique to this study, provide a convenient method of subdividing Mississippian rocks for more detailed regional mapping. Paleogeographic and gross lithofacies maps were prepared for each interval to relate oolite occurrences to their regional settings. Interval A was characterized by two broad, shallow seas separated by the Transcontinental lowlands. Marine deposition was dominantly carbonate toward the west and shale to the east. Areas of extensive oolite deposition were adjacent to either side of the Transcontinental lowlands. Interval B was a time of extensive marine transgression with small land areas isolated in a broad, generally shallow sea. Shale deposition continued in the Michigan, Illinois, and northern Appalachian basin, and cherty carbonates accumulated elsewhere. Oolite deposition was limited to the western US in the Williston basin, and to other areas along the slightly submerged Transcontinental arch. During interval C, land areas became more emergent and the Transcontinental lowlands once again separated the eastern and western seas.

  3. Remote-Sensed Monitoring of Dominant Plant Species Distribution and Dynamics at Jiuduansha Wetland in Shanghai, China

    SciTech Connect (OSTI)

    Lin, Wenpeng; Chen, Guangsheng; Guo, Pupu; Zhu, Wenquan; Zhang, Donghai

    2015-08-11

    Spartina alterniflora is one of the most hazardous invasive plant species in China. Monitoring the changes in dominant plant species can help identify the invasion mechanisms of S. alterniflora, thereby providing scientific guidelines on managing or controlling the spreading of this invasive species at Jiuduansha Wetland in Shanghai, China. However, because of the complex terrain and the inaccessibility of tidal wetlands, it is very difficult to conduct field experiments on a large scale in this wetland. Hence, remote sensing plays an important role in monitoring the dynamics of plant species and its distribution on both spatial and temporal scales. In this paper, based on multi-spectral and high resolution (<10 m) remote sensing images and field observational data, we analyzed spectral characteristics of four dominant plant species at different green-up phenophases. Based on the difference in spectral characteristics, a decision tree classification was built for identifying the distribution of these plant species. The results indicated that the overall classification accuracy for plant species was 87.17%, and the Kappa Coefficient was 0.81, implying that our classification method could effectively identify the four plant species. We found that the area of Phragmites australi showed an increasing trend from 1997 to 2004 and from 2004 to 2012, with an annual spreading rate of 33.77% and 31.92%, respectively. The area of Scirpus mariqueter displayed an increasing trend from 1997 to 2004 (12.16% per year) and a decreasing trend from 2004 to 2012 (-7.05% per year). S. alterniflora has the biggest area (3302.20 ha) as compared to other species, accounting for 51% of total vegetated area at the study region in 2012. It showed an increasing trend from 1997 to 2004 and from 2004 to 2012, with an annual spreading rate of 130.63% and 28.11%, respectively. As a result, the native species P. australi was surrounded and the habitats of S. mariqueter were occupied by S

  4. Remote-Sensed Monitoring of Dominant Plant Species Distribution and Dynamics at Jiuduansha Wetland in Shanghai, China

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

    Lin, Wenpeng; Chen, Guangsheng; Guo, Pupu; Zhu, Wenquan; Zhang, Donghai

    2015-08-11

    Spartina alterniflora is one of the most hazardous invasive plant species in China. Monitoring the changes in dominant plant species can help identify the invasion mechanisms of S. alterniflora, thereby providing scientific guidelines on managing or controlling the spreading of this invasive species at Jiuduansha Wetland in Shanghai, China. However, because of the complex terrain and the inaccessibility of tidal wetlands, it is very difficult to conduct field experiments on a large scale in this wetland. Hence, remote sensing plays an important role in monitoring the dynamics of plant species and its distribution on both spatial and temporal scales. Inmore » this paper, based on multi-spectral and high resolution (<10 m) remote sensing images and field observational data, we analyzed spectral characteristics of four dominant plant species at different green-up phenophases. Based on the difference in spectral characteristics, a decision tree classification was built for identifying the distribution of these plant species. The results indicated that the overall classification accuracy for plant species was 87.17%, and the Kappa Coefficient was 0.81, implying that our classification method could effectively identify the four plant species. We found that the area of Phragmites australi showed an increasing trend from 1997 to 2004 and from 2004 to 2012, with an annual spreading rate of 33.77% and 31.92%, respectively. The area of Scirpus mariqueter displayed an increasing trend from 1997 to 2004 (12.16% per year) and a decreasing trend from 2004 to 2012 (-7.05% per year). S. alterniflora has the biggest area (3302.20 ha) as compared to other species, accounting for 51% of total vegetated area at the study region in 2012. It showed an increasing trend from 1997 to 2004 and from 2004 to 2012, with an annual spreading rate of 130.63% and 28.11%, respectively. As a result, the native species P. australi was surrounded and the habitats of S. mariqueter were occupied by S

  5. γ production as a probe for early state dynamics in high energy nuclear collisions at RHIC

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

    Liu, Yunpeng; Chen, Baoyi; Xu, Nu; Zhuang, Pengfei

    2011-02-01

    γ production in heavy ion collisions at RHIC energy is investigated. While the transverse momentum spectra of the ground state γ(1s) are controlled by the initial state Cronin effect, the excited bb⁻ states are characterized by the competition between the cold and hot nuclear matter effects and sensitive to the dissociation temperatures determined by the heavy quark potential. We emphasize that it is necessary to measure the excited heavy quark states in order to extract the early stage information in high energy nuclear collisions at RHIC.

  6. Distribution System State Estimation

    Office of Scientific and Technical Information (OSTI)

    ... These all acknowledge government support through this project. All are available through IEEE Xplore. The project has fostered and supported many other collaborations: MultiSpeak ...

  7. Distribution System State Estimation

    Office of Scientific and Technical Information (OSTI)

    ... II - 3|Bad data identification|Testing of meter phase identification, see section 3.4 of ... Power quality monitors (utility or customer) Automated meter reading devices Modern ...

  8. Dynamics of electron solvation in methanol: Excited state relaxation and generation by charge-transfer-to-solvent

    SciTech Connect (OSTI)

    Elkins, Madeline H.; Williams, Holly L.; Neumark, Daniel M.

    2015-06-21

    The charge-transfer-to-solvent dynamics (CTTS) and excited state relaxation mechanism of the solvated electron in methanol are studied by time-resolved photoelectron spectroscopy on a liquid methanol microjet by means of two-pulse and three-pulse experiments. In the two-pulse experiment, CTTS excitation is followed by a probe photoejection pulse. The resulting time-evolving photoelectron spectrum reveals multiple time scales characteristic of relaxation and geminate recombination of the initially generated electron which are consistent with prior results from transient absorption. In the three-pulse experiment, the relaxation dynamics of the solvated electron following electronic excitation are measured. The internal conversion lifetime of the excited electron is found to be 130 40 fs, in agreement with extrapolated results from clusters and the non-adiabatic relaxation mechanism.

  9. Dynamic characteristics of two-state lasing quantum dot lasers under large signal modulation

    SciTech Connect (OSTI)

    Lv, Zun-Ren; Ji, Hai-Ming Luo, Shuai; Gao, Feng; Xu, Feng; Yang, Tao; Xiao, De-Hang

    2015-10-15

    Large signal modulation characteristics of the simultaneous ground-state (GS) and excited-state (ES) lasing quantum dot lasers are theoretically investigated. Relaxation oscillations of ‘0 → 1’ and ‘1 → 0’ in the GS lasing region (Region I), the transition region from GS lasing to two-state lasing (Region II) and the two-state lasing region (Region III) are compared and analyzed. It is found that the overshooting power and settling time in both Regions I and III decrease as the bias current increases. However, there exist abnormal behaviors of the overshooting power and settling time in Region II owing to the occurrence of ES lasing, which lead to fuzzy eye diagrams of the GS and ES lasing. Moreover, the ES lasing in Region III possesses much better eye diagrams because of its shorter settling time and smaller overshooting power over the GS lasing in Region I.

  10. 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.

  11. State-to-state reaction dynamics of {sup 18}O+{sup 32}O{sub 2} studied by a time-dependent quantum wavepacket method

    SciTech Connect (OSTI)

    Xie, Wenbo; Liu, Lan; Sun, Zhigang; Guo, Hua; Dawes, Richard

    2015-02-14

    The title isotope exchange reaction was studied by converged time-dependent wave packet calculations, where an efficient 4th order split operator was applied to propagate the initial wave packet. State-to-state differential and integral cross sections up to the collision energy of 0.35 eV were obtained with {sup 32}O{sub 2} in the hypothetical j{sub 0} = 0 state. It is discovered that the differential cross sections are largely forward biased in the studied collision energy range, due to the fact that there is a considerable part of the reaction occurring with large impact parameter and short lifetime relative to the rotational period of the intermediate complex. The oscillations of the forward scattering amplitude as a function of collision energy, which result from coherent contribution of adjacent resonances, may be a sensitive probe for examining the quality of the underlying potential energy surface. A good agreement between the theoretical and recent experimental integral and differential cross sections at collision energy of 7.3 kcal/mol is obtained. However, the theoretical results predict slightly too much forward scattering and colder rotational distributions than the experimental observations at collision energy of 5.7 kcal/mol.

  12. Studies of ground-state dynamics in isolated species by ionization-detected stimulated Raman techniques

    SciTech Connect (OSTI)

    Felker, P.M.

    1993-12-01

    First, the author aims to develop methods of nonlinear Raman spectroscopy for application in studies of sparse samples. Second, the author wishes to apply such methods to structural and dynamical studies of species (molecules, complexes, and clusters) in supersonic molecular beams. In the past year, the author has made progress in several areas. The first pertains to the application of mass-selective ionization-detected stimulated Raman spectroscopies (IDSRS) to the size-specific vibrational spectroscopy of solute-solvent{sub n} clusters. The second involves the application of IDSRS methods to studies of jet-cooled benzene clusters. The third pertains to the use of IDSRS methods in the study of intermolecular vibrational transitions in van der Waals complexes.

  13. 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.

  14. Charge-state-resolved ion energy distribution functions of cathodic vacuum arcs: A study involving the plasma potential and biased plasmas

    SciTech Connect (OSTI)

    Anders, Andre; Oks, Efim

    2007-02-15

    Charge-state-resolved ion energy distribution functions were measured for pulsed cathodic arcs taking the sheath into account that formed between the plasma and the entrance of a combined energy and mass spectrometer. An electron emitting probe was employed to independently determine the plasma potential. All results were obtained by averaging over several individual measurements because the instantaneous energy distributions and the plasma potential show large amplitude fluctuations due to the explosive nature of the arc plasma generation. It was found that the ion energy distribution functions in the plasma were independent of the ion charge state. This is in contrast to findings with continuously operating, direct-current arcs that employ a magnetic field at the cathode to steer the cathode spot motion. The different findings indicate the important role of the magnetic steering field for the plasma properties of direct-current arcs. The results are further supported by experiments with 'biased plasmas' obtained by shifting the potential of the anode. Finally, it was shown that the ion energy distributions were broader and shifted to higher energy at the beginning of each arc pulse. The characteristic time for relaxation to steady state distributions is about 100 {mu}s.

  15. 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.

  16. Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function

    SciTech Connect (OSTI)

    Rota, R.; Casulleras, J.; Mazzanti, F.; Boronat, J.

    2015-03-21

    We present a method based on the path integral Monte Carlo formalism for the calculation of ground-state time correlation functions in quantum systems. The key point of the method is the consideration of time as a complex variable whose phase δ acts as an adjustable parameter. By using high-order approximations for the quantum propagator, it is possible to obtain Monte Carlo data all the way from purely imaginary time to δ values near the limit of real time. As a consequence, it is possible to infer accurately the spectral functions using simple inversion algorithms. We test this approach in the calculation of the dynamic structure function S(q, ω) of two one-dimensional model systems, harmonic and quartic oscillators, for which S(q, ω) can be exactly calculated. We notice a clear improvement in the calculation of the dynamic response with respect to the common approach based on the inverse Laplace transform of the imaginary-time correlation function.

  17. Role of nuclear dynamics in the Asymmetric molecular-frame photoelectron angular distributions for C 1s photoejection from CO{sub 2}

    SciTech Connect (OSTI)

    Miyabe, Shungo; Haxton, Dan; Rescigno, Tom; McCurdy, Bill

    2010-11-30

    We report the results of semiclassical calculations of the asymmetric molecular-frame photoelectron angular distributions for C 1s ionization of CO{sub 2} measured with respect to the CO{sup +} and O{sup +} ions produced by subsequent Auger decay, and show how the decay event can be used to probe ultrafast molecular dynamics of the transient cation. The fixed-nuclei photoionization amplitudes were constructed using variationally obtained electron-molecular ion scattering wave functions. The amplitudes are then used in a semiclassical manner to investigate their dependence on the nuclear dynamics of the cation. The method introduced here can be used to study other core-level ionization events.

  18. Issue Brief: A Survey of State Policies to Support Utility-Scale and Distributed-Energy Storage (Brochure)

    SciTech Connect (OSTI)

    Not Available

    2014-09-01

    This document summarizes proposed and enacted legislation and activities related to energy storage for nine states, which are presented alphabetically. These states were selected to provide a high-level view of various energy storage efforts taking place across the United States.

  19. Structural dynamics of phenylisothiocyanate in the light-absorbing excited states: Resonance Raman and complete active space self-consistent field calculation study

    SciTech Connect (OSTI)

    Ouyang, Bing Xue, Jia-Dan Zheng, Xuming E-mail: zxm@zstu.edu.cn; Fang, Wei-Hai E-mail: fangwh@dnu.edu.cn

    2014-05-21

    The excited state structural dynamics of phenyl isothiocyanate (PITC) after excitation to the light absorbing S{sub 2}(A′), S{sub 6}(A′), and S{sub 7}(A′) excited states were studied by using the resonance Raman spectroscopy and complete active space self-consistent field method calculations. The UV absorption bands of PITC were assigned. The vibrational assignments were done on the basis of the Fourier transform (FT)-Raman and FT-infrared measurements, the density-functional theory computations, and the normal mode analysis. The A-, B-, and C-bands resonance Raman spectra in cyclohexane, acetonitrile, and methanol solvents were, respectively, obtained at 299.1, 282.4, 266.0, 252.7, 228.7, 217.8, and 208.8 nm excitation wavelengths to probe the corresponding structural dynamics of PITC. The results indicated that the structural dynamics in the S{sub 2}(A′), S{sub 6}(A′), and S{sub 7}(A′) excited states were very different. The conical intersection point CI(S{sub 2}/S{sub 1}) were predicted to play important role in the low-lying excited state decay dynamics. Two major decay channels were predicted for PITC upon excitation to the S{sub 2}(A′) state: the radiative S{sub 2,min} → S{sub 0} transition and the nonradiative S{sub 2} → S{sub 1} internal conversion via CI(S{sub 2}/S{sub 1}). The differences in the decay dynamics between methyl isothiocyanate and PITC in the first light absorbing excited state were discussed. The role of the intersystem crossing point ISC(S{sub 1}/T{sub 1}) in the excited state decay dynamics of PITC is evaluated.

  20. Enhanced resting-state dynamics of the hemoglobin signal as a novel biomarker for detection of breast cancer

    SciTech Connect (OSTI)

    Graber, Harry L. Xu, Yong; Barbour, Randall L.; Al abdi, Rabah; Asarian, Armand P.; Pappas, Peter J.; Dresner, Lisa; Patel, Naresh; Jagarlamundi, Kuppuswamy; Solomon, William B.

    2015-11-15

    Purpose: The work presented here demonstrates an application of diffuse optical tomography (DOT) to the problem of breast-cancer diagnosis. The potential for using spatial and temporal variability measures of the hemoglobin signal to identify useful biomarkers was studied. Methods: DOT imaging data were collected using two instrumentation platforms the authors developed, which were suitable for exploring tissue dynamics while performing a simultaneous bilateral exam. For each component of the hemoglobin signal (e.g., total, oxygenated), the image time series was reduced to eight scalar metrics that were affected by one or more dynamic properties of the breast microvasculature (e.g., average amplitude, amplitude heterogeneity, strength of spatial coordination). Receiver-operator characteristic (ROC) analyses, comparing groups of subjects with breast cancer to various control groups (i.e., all noncancer subjects, only those with diagnosed benign breast pathology, and only those with no known breast pathology), were performed to evaluate the effect of cancer on the magnitudes of the metrics and of their interbreast differences and ratios. Results: For women with known breast cancer, simultaneous bilateral DOT breast measures reveal a marked increase in the resting-state amplitude of the vasomotor response in the hemoglobin signal for the affected breast, compared to the contralateral, noncancer breast. Reconstructed 3D spatial maps of observed dynamics also show that this behavior extends well beyond the tumor border. In an effort to identify biomarkers that have the potential to support clinical aims, a group of scalar quantities extracted from the time series measures was systematically examined. This analysis showed that many of the quantities obtained by computing paired responses from the bilateral scans (e.g., interbreast differences, ratios) reveal statistically significant differences between the cancer-positive and -negative subject groups, while the

  1. Annual Coal Distribution

    Reports and Publications (EIA)

    2016-01-01

    The Annual Coal Distribution Report (ACDR) provides detailed information on domestic coal distribution by origin state, destination state, consumer category, and method of transportation. Also provided is a summary of foreign coal distribution by coal-producing state. All data for the report year are final and this report supersedes all data in the quarterly distribution reports.

  2. Annual Coal Distribution

    Reports and Publications (EIA)

    2015-01-01

    The Annual Coal Distribution Report (ACDR) provides detailed information on domestic coal distribution by origin state, destination state, consumer category, and method of transportation. Also provided is a summary of foreign coal distribution by coal-producing state. All data for the report year are final and this report supersedes all data in the quarterly distribution reports.

  3. Two-state theory of binned photon statistics for a large class of waiting time distributions and its application to quantum dot blinking

    SciTech Connect (OSTI)

    Volkn-Kacs, Sndor

    2014-06-14

    A theoretical method is proposed for the calculation of the photon counting probability distribution during a bin time. Two-state fluorescence and steady excitation are assumed. A key feature is a kinetic scheme that allows for an extensive class of stochastic waiting time distribution functions, including power laws, expanded as a sum of weighted decaying exponentials. The solution is analytic in certain conditions, and an exact and simple expression is found for the integral contribution of bright and dark states. As an application for power law kinetics, theoretical results are compared with experimental intensity histograms from a number of blinking CdSe/ZnS quantum dots. The histograms are consistent with distributions of intensity states around a bright and a dark maximum. A gap of states is also revealed in the more-or-less flat inter-peak region. The slope and to some extent the flatness of the inter-peak feature are found to be sensitive to the power-law exponents. Possible models consistent with these findings are discussed, such as the combination of multiple charging and fluctuating non-radiative channels or the multiple recombination center model. A fitting of the latter to experiment provides constraints on the interaction parameter between the recombination centers. Further extensions and applications of the photon counting theory are also discussed.

  4. Coal Distribution Database, 2006

    U.S. Energy Information Administration (EIA) Indexed Site

    Domestic Distribution of U.S. Coal by Origin State, Consumer, Destination and Method of Transportation, 2009 Final February 2011 2 Overview of 2009 Coal Distribution Tables...

  5. Charge state distribution and emission characteristics in a table top reflex discharge - Effect of ion confinement and electrons accelerated across the sheath

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

    Kumar, Deepak; Englesbe, Alexander; Parman, Matthew; Stutman, Dan; Finkenthal, Michael

    2015-11-05

    Tabletop reflex discharges in a Penning geometry have many applications including ion sources and eXtreme Ultra-Violet (XUV) sources. The presence of primary electrons accelerated across the cathode sheaths is responsible for the distribution of ion charge states and of the unusually high XUV brightness of these plasmas. Absolutely calibrated space resolved XUV spectra from a table top reflex discharge operating with Al cathodes and Ne gas are presented. The spectra are analyzed with a new and complete model for ion charge distribution in similar reflex discharges. The plasma in the discharge was found to have a density of ~1018m–3 withmore » a significant fraction >0.01 of fast primary electrons. As a result, the implications of the new model on the ion states achievable in a tabletop reflex plasma discharge are also discussed.« less

  6. Charge state distribution and emission characteristics in a table top reflex discharge - Effect of ion confinement and electrons accelerated across the sheath

    SciTech Connect (OSTI)

    Kumar, Deepak; Englesbe, Alexander; Parman, Matthew; Stutman, Dan; Finkenthal, Michael

    2015-11-05

    Tabletop reflex discharges in a Penning geometry have many applications including ion sources and eXtreme Ultra-Violet (XUV) sources. The presence of primary electrons accelerated across the cathode sheaths is responsible for the distribution of ion charge states and of the unusually high XUV brightness of these plasmas. Absolutely calibrated space resolved XUV spectra from a table top reflex discharge operating with Al cathodes and Ne gas are presented. The spectra are analyzed with a new and complete model for ion charge distribution in similar reflex discharges. The plasma in the discharge was found to have a density of ~1018m–3 with a significant fraction >0.01 of fast primary electrons. As a result, the implications of the new model on the ion states achievable in a tabletop reflex plasma discharge are also discussed.

  7. Solution-state structure and affinities of cyclodextrin: Fentanyl complexes by nuclear magnetic resonance spectroscopy and molecular dynamics simulation

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

    Mayer, Brian P.; Kennedy, Daniel J.; Lau, Edmond Y.; Valdez, Carlos A.

    2016-02-04

    Cyclodextrins (CDs) are investigated for their ability to form inclusion complexes with the analgesic fentanyl and three similar molecules: acetylfentanyl, thiofentanyl, and acetylthiofentanyl. Stoichiometry, binding strength, and complex structure are revealed through nuclear magnetic resonance (NMR) techniques and discussed in terms of molecular dynamics (MD) simulations. It was found that β-cyclodextrin is generally capable of forming the strongest complexes with the fentanyl panel. Two-dimensional NMR data and computational chemical calculations are used to derive solution-state structures of the complexes. Binding of the fentanyls to the CDs occurs at the amide phenyl ring, leaving the majority of the molecule solvated bymore » water, an observation common to all four fentanyls. This finding suggests a universal binding behavior, as the vast majority of previously synthesized fentanyl analogues contain this structural moiety. Furthermore, this baseline study serves as the most complete work on CD:fentanyl complexes to date and provides the insights into strategies for producing future generations of designer cyclodextrins capable of stronger and more selective complexation of fentanyl and its analogues.« less

  8. A Dynamic Simulation of the Indirect Land Use Implications of Recent Biofuel Production and Use in the United States.

    SciTech Connect (OSTI)

    Oladosu, Gbadebo A; Kline, Keith L

    2013-01-01

    The global indirect land use change (ILUC) implications of biofuel use in the United States of America (USA) from 2001 to 2010 are evaluated with a dynamic general equilibrium model. The effects of biofuels production on agricultural land area vary by year; from a net expansion of 0.17 ha per 1000 gallons produced (2002) to a net contraction of 0.13 ha per 1000 gallons (2018) in Case 1 of our simulation. In accordance with the general narrative about the implications of biofuel policy, agricultural land area increased in many regions of the world. However, oil-export dependent economies experienced agricultural land contraction because of reductions in their revenues. Reducing crude oil imports is a major goal of biofuel policy, but the land use change implications have received little attention in the literature. Simulations evaluating the effects of doubling supply elasticities for land and fossil resources show that these parameters can significantly influence the land use change estimates. Therefore, research that provides empirically-based and spatially-detailed agricultural land-supply curves and capability to project future fossil energy prices is critical for improving estimates of the effects of biofuel policy on land use.

  9. Annual Coal Distribution Tables

    U.S. Energy Information Administration (EIA) Indexed Site

    Domestic Distribution of U.S. Coal by Destination State, Consumer, Destination and Method of Transportation, 2001 (Thousand Short Tons) DESTINATION: Alabama State of Origin by...

  10. Coal Distribution Database, 2006

    U.S. Energy Information Administration (EIA) Indexed Site

    Report - Annual provides detailed information on domestic coal distribution by origin state, destination state, consumer category, and method of transportation. Also provided is...

  11. Is the Distribution Grid Ready to Accept Large Scale Photovoltaic Deployment? - State of the Art, Progress and Future Prospects

    SciTech Connect (OSTI)

    Braun, M.; Stetz, T.; Brundlinger, R.; Mayr, C.; Hatta, H.; Kobayashi, H.; Ogimoto, K.; Kroposki, B.; Mather, B.; Coddington, M.; Lynn, K.; Graditi, G.; Woyte, A.; MacGill, I.

    2011-01-01

    The installed capacity of photovoltaic systems has recently increased at a much faster rate than the development of grid codes to effectively and efficiently manage high penetrations of PV within the distribution system. In a number of countries, PV penetrations in some regions are now raising growing concerns regarding integration. Management strategies vary considerably by country - some still have an approach that photovoltaic systems should behave as passive as possible while others demand an active participation in grid control. This variety of grid codes also causes challenges in learning from 'best practice'. This paper provides a review of current grid codes in some countries with high PV penetrations. In addition, the paper presents a number of country-specific case studies on different approaches for improved integration of photovoltaic systems in the distribution grid. In particular, we consider integration approaches using active and reactive power control that can reduce or defer expensive grid reinforcement while supporting higher PV penetrations.

  12. Communication: Theoretical prediction of the importance of the {sup 3}B{sub 2} state in the dynamics of sulfur dioxide

    SciTech Connect (OSTI)

    Lvque, Camille; CNRS, LCPMR, UMR 7614, Paris Cedex 05; Theoretische Chemie, Physikalisch-Chemisches Institut, Universitt Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg ; Taeb, Richard; CNRS, LCPMR, UMR 7614, Paris Cedex 05 ; Kppel, Horst

    2014-03-07

    Even though the sulfur dioxide molecule has been extensively studied over the last decades, its photo-excitation dynamics is still unclear, due to its complexity, combining conical intersections, and spin-orbit coupling between a manifold of states. We present a comprehensive ab initio study of the intersystem crossing of the molecule in the low energy domain, based on a wave-packet propagation on the manifold of the lowest singlet and triplet states. Furthermore, spin-orbit couplings are evaluated on a geometry-dependent grid, and diabatized along with the different conical intersections. Our results show for the first time the primordial role of the triplet {sup 3}B{sub 2} state and furthermore predict novel interference patterns due to the different intersystem crossing channels induced by the spin-orbit couplings and the shapes of the different potential energy surfaces. These give new insight into the coupled singlet-triplet dynamics of SO{sub 2}.

  13. VUV studies of molecular photofragmentation dynamics

    SciTech Connect (OSTI)

    White, M.G.

    1993-12-01

    State-resolved, photoion and photoelectron methods are used to study the neutral fragmentation and ionization dynamics of small molecules relevant to atmospheric and combustion chemistry. Photodissociation and ionization are initiated by coherent VUV radiation and the fragmentation dynamics are extracted from measurements of product rovibronic state distributions, kinetic energies and angular distributions. The general aim of these studies is to investigate the multichannel interactions between the electronic and nuclear motions which determine the evolution of the photoexcited {open_quotes}complex{close_quotes} into the observed asymptotic channels.

  14. Unimolecular photodissociation dynamics of ketene (CH{sub 2}CO): The singlet/triplet branching ratio and experimental observation of the vibrational level thresholds of the transition-state

    SciTech Connect (OSTI)

    Kim, S.K.

    1993-05-01

    The rotational distributions of CO products from the dissociation of ketene at photolysis energies 10 cm{sup {minus}1} below, 56, 110, 200, 325, 425, 1,107, 1,435, 1,720, and 2,500 cm{sup {minus}1} above the singlet threshold, are measured in a supersonic free jet of ketene. The CO(v{double_prime} = 0) rotational distributions at 56, 110, 200, 325, and 425 cm{sup {minus}1} are bimodal. The peaks at low J`s, which are due to CO from the singlet channel, show that the product rotational distribution of CO product from ketene dissociation on the singlet surface is well described by phase space theory (PST). For CO(v{double_prime} = 0) rotational distributions at higher excess energies, the singlet and triplet contributions are not clearly resolved, and the singlet/triplet branching ratios are estimated by assuming that PST accurately predicts the CO rotational distribution from the singlet channel and that the distribution from the triplet channel changes little from that at 10 cm{sup {minus}1} below the singlet threshold. At 2,500 cm{sup {minus}1} excess energy, the CO(v{double_prime} = 1) rotational distribution is obtained, and the ratio of CO(v{double_prime} = 1) to CO(v{double_prime} = 0) products for the singlet channel is close to the variational RRKM calculation, 0.038, and the separate statistical ensembles (SSE) prediction, 0.041, but much greater than the PST prediction, 0.016. Rate constants for the dissociation of ketene (CH{sub 2}CO) and deuterated ketene (CD{sub 2}CO) have been measured at the threshold for the production of the CH(D){sub 2} and CO. Sharp peaks observed in photofragment excitation (PHOFEX) spectra probing CO (v = 0, J = 2) product are identified with the C-C-O bending mode of the transition state. RRKM calculations are carried out for two limiting cases for the dynamics of K-mixing in highly vibrationally excited reactant states.

  15. Issue Brief: A Survey of State Policies to Support Utility-Scale and Distributed-Energy Storage (Brochure), NREL (National Renewable Energy Laboratory)

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

    t e c h n i c a l a s s i s ta n c e NREL is a national laboratory of the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, operated by the Alliance for Sustainable Energy, LLC. NREL is a national laboratory of the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, operated by the Alliance for Sustainable Energy, LLC. t e c h n i c a l a s s i s ta n c e Issue Brief: A Survey of State Policies to Support Utility-Scale and Distributed-Energy

  16. Impacts of climate change on sub-regional electricity demand and distribution in the southern United States

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

    Allen, Melissa R.; Fernandez, Steven J.; Fu, Joshua S.; Olama, Mohammed M.

    2016-07-25

    New tools are employed to develop an electricity demand map for the southeastern United States at neighborhood resolution to serve as a baseline from which to project increases in electricity demand due to a rise in global and local temperature and to population shifts motivated by increases in extreme weather events due to climate change. We find that electricity demand increases due to temperature rise over the next 40 years have a much smaller impact than those due to large population influx. In addition, we find evidence that some, sections of the national electrical grid are more adaptable to thesemore » population shifts and changing demand than others are; and that detailed projections of changing local electricity demand patterns are viable and important for planning at the urban level.« less

  17. Domestic and Foreign Distribution

    U.S. Energy Information Administration (EIA) Indexed Site

    of U.S. Coal by State of Origin, 2008 Final May 2010 Domestic and Foreign Distribution of U.S. Coal by State of Origin, 2008 (Thousand Short Tons) State Region Domestic Foreign...

  18. EIA -Quarterly Coal Distribution

    U.S. Energy Information Administration (EIA) Indexed Site

    - Coal Distribution Quarterly Coal Distribution Archives Release Date: August 17, 2016 Next Release Date: December 22, 2016 The Quarterly Coal Distribution Report (QCDR) provides detailed quarterly data on U.S. domestic coal distribution by coal origin, coal destination, mode of transportation and consuming sector. All data are preliminary and superseded by the final Coal Distribution - Annual Report. Year/Quarters By origin State By destination State Report Data File Report Data File 2009

  19. Determination of defect density of state distribution of amorphous silicon solar cells by temperature derivative capacitance-frequency measurement

    SciTech Connect (OSTI)

    Yang, Guangtao Swaaij, R. A. C. M. M. van; Dobrovolskiy, S.; Zeman, M.

    2014-01-21

    In this contribution, we demonstrate the application temperature dependent capacitance-frequency measurements (C-f) to n-i-p hydrogenated amorphous silicon (a-Si:H) solar cells that are forward-biased. By using a forward bias, the C-f measurement can detect the density of defect states in a particular energy range of the interface region. For this contribution, we have carried out this measurement method on n-i-p a-Si:H solar cells of which the intrinsic layer has been exposed to a H{sub 2}-plasma before p-type layer deposition. After this treatment, the open-circuit voltage and fill factor increased significantly, as well as the blue response of the solar cells as is concluded from external quantum efficiency. For single junction, n-i-p a-Si:H solar cells initial efficiency increased from 6.34% to 8.41%. This performance enhancement is believed to be mainly due to a reduction of the defect density in the i-p interface region after the H{sub 2}-plasma treatment. These results are confirmed by the C-f measurements. After H{sub 2}-plasma treatment, the defect density in the intrinsic layer near the i-p interface region is lower and peaks at an energy level deeper in the band gap. These C-f measurements therefore enable us to monitor changes in the defect density in the interface region as a result of a hydrogen plasma. The lower defect density at the i-p interface as detected by the C-f measurements is supported by dark current-voltage measurements, which indicate a lower carrier recombination rate.

  20. Application of principal component analysis (PCA) and improved joint probability distributions to the inverse first-order reliability method (I-FORM) for predicting extreme sea states

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

    Eckert-Gallup, Aubrey C.; Sallaberry, Cédric J.; Dallman, Ann R.; Neary, Vincent S.

    2016-01-06

    Environmental contours describing extreme sea states are generated as the input for numerical or physical model simulations as a part of the standard current practice for designing marine structures to survive extreme sea states. These environmental contours are characterized by combinations of significant wave height (Hs) and either energy period (Te) or peak period (Tp) values calculated for a given recurrence interval using a set of data based on hindcast simulations or buoy observations over a sufficient period of record. The use of the inverse first-order reliability method (I-FORM) is a standard design practice for generating environmental contours. This papermore » develops enhanced methodologies for data analysis prior to the application of the I-FORM, including the use of principal component analysis (PCA) to create an uncorrelated representation of the variables under consideration as well as new distribution and parameter fitting techniques. As a result, these modifications better represent the measured data and, therefore, should contribute to the development of more realistic representations of environmental contours of extreme sea states for determining design loads for marine structures.« less

  1. Characterization of fracture reservoirs using static and dynamic data: From sonic and 3D seismic to permeability distribution. Annual report, March 1, 1996--February 28, 1997

    SciTech Connect (OSTI)

    Parra, J.O.; Collier, H.A.; Owen, T.E.

    1997-06-01

    In low porosity, low permeability zones, natural fractures are the primary source of permeability which affect both production and injection of fluids. The open fractures do not contribute much to porosity, but they provide an increased drainage network to any porosity. They also may connect the borehole to remote zones of better reservoir characteristics. An important approach to characterizing the fracture orientation and fracture permeability of reservoir formations is one based on the effects of such conditions on the propagation of acoustic and seismic waves in the rock. The project is a study directed toward the evaluation of acoustic logging and 3D-seismic measurement techniques as well as fluid flow and transport methods for mapping permeability anisotropy and other petrophysical parameters for the understanding of the reservoir fracture systems and associated fluid dynamics. The principal application of these measurement techniques and methods is to identify and investigate the propagation characteristics of acoustic and seismic waves in the Twin Creek hydrocarbon reservoir owned by Union Pacific Resources (UPR) and to characterize the fracture permeability distribution using production data. This site is located in the overthrust area of Utah and Wyoming. UPR drilled six horizontal wells, and presently UPR has two rigs running with many established drill hole locations. In addition, there are numerous vertical wells that exist in the area as well as 3D seismic surveys. Each horizontal well contains full FMS logs and MWD logs, gamma logs, etc.

  2. Exploring the structural dynamics of the E. coli chaperonin GroEL using translation-libration-screw crystallographic refinement of intermediate states

    SciTech Connect (OSTI)

    Chaudhry, Charu; Horwich, Arthur L.; Brunger, Axel T.; Adams, Paul D.

    2004-08-12

    Large rigid-body domain movements are critical to GroEL-mediated protein folding, especially apical domain elevation and twist associated with the formation of a folding chamber upon binding ATP and co-chaperonin GroES. Here, we have modeled the anisotropic displacements of GroEL domains from various crystallized states, unliganded GroEL, ATP?S-bound, ADP-AlFx/GroES-bound, and ADP/GroES bound, using translation-libration-screw (TLS) analysis. Remarkably, the TLS results show that the inherent motions of unliganded GroEL, a polypeptide-accepting state, are biased along the transition pathway that leads to the folding-active state. In the ADP-AlFx/GroES-bound folding-active state the dynamic modes of the apical domains become reoriented and coupled to the motions of bound GroES. The ADP/GroES complex exhibits these same motions, but they are increased in magnitude, potentially reflecting the decreased stability of the complex after nucleotide hydrolysis. Our results have allowed the visualization of the anisotropic molecular motions that link the static conformations previously observed by X-ray crystallography. Application of the same analyses to other macromolecules where rigid body motions occur may give insight into the large scale dynamics critical for function and thus has the potential to extend our fundamental understanding of molecular machines.

  3. 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.

  4. Simultaneous Observations of PKS 2155--304 with H.E.S.S., Fermi, RXTE and ATOM: Spectral Energy Distributions and Variability in a Low State

    SciTech Connect (OSTI)

    Aharonian, F.; Akhperjanian, A.G.; Anton, G.; Barres de Almeida, U.; Bazer-Bachi, A.R.; Becherini, Y.; Behera, B.; Bernlohr, K.; Boisson, C.; Bochow, A.; Borrel, V.; Brion, E.; Brucker, J.; Brun, P.; Buhler, R.; Bulik, T.; Busching, I.; Boutelier, T.; Chadwick, P.M.; Charbonnier, A.; Chaves, R.C.G.; /more authors..

    2009-05-07

    We report on the first simultaneous observations that cover the optical, X-ray, and high-energy gamma-ray bands of the BL Lac object PKS 2155-304. The gamma-ray bands were observed for 11 days, between 2008 August 25 and 2008 September 6 (MJD 54704-54715), jointly with the Fermi Gamma-ray Space Telescope and the HESS atmospheric Cherenkov array, providing the first simultaneous MeV-TeV spectral energy distribution (SED) with the new generation of {gamma}-ray telescopes. The ATOM telescope and the RXTE and Swift observatories provided optical and X-ray coverage of the low-energy component over the same time period. The object was close to the lowest archival X-ray and very high energy (VHE; >100 GeV) state, whereas the optical flux was much higher. The light curves show relatively little ({approx}30%) variability overall when compared to past flaring episodes, but we find a clear optical/VHE correlation and evidence for a correlation of the X-rays with the high-energy spectral index. Contrary to previous observations in the flaring state, we do not find any correlation between the X-ray and VHE components. Although synchrotron self-Compton models are often invoked to explain the SEDs of BL Lac objects, the most common versions of these models are at odds with the correlated variability we find in the various bands for PKS 2155-304.

  5. Production of cold beams of ND{sub 3} with variable rotational state distributions by electrostatic extraction of He and Ne buffer-gas-cooled beams

    SciTech Connect (OSTI)

    Twyman, Kathryn S.; Bell, Martin T.; Heazlewood, Brianna R.; Softley, Timothy P.

    2014-07-14

    The measurement of the rotational state distribution of a velocity-selected, buffer-gas-cooled beam of ND{sub 3} is described. In an apparatus recently constructed to study cold ion-molecule collisions, the ND{sub 3} beam is extracted from a cryogenically cooled buffer-gas cell using a 2.15 m long electrostatic quadrupole guide with three 90 bends. (2+1) resonance enhanced multiphoton ionization spectra of molecules exiting the guide show that beams of ND{sub 3} can be produced with rotational state populations corresponding to approximately T{sub rot} = 918 K, achieved through manipulation of the temperature of the buffer-gas cell (operated at 6 K or 17 K), the identity of the buffer gas (He or Ne), or the relative densities of the buffer gas and ND{sub 3}. The translational temperature of the guided ND{sub 3} is found to be similar in a 6 K helium and 17 K neon buffer-gas cell (peak kinetic energies of 6.92(0.13) K and 5.90(0.01) K, respectively). The characterization of this cold-molecule source provides an opportunity for the first experimental investigations into the rotational dependence of reaction cross sections in low temperature collisions.

  6. Controlling Methane Emissions in the Natural Gas Sector. A Review of Federal and State Regulatory Frameworks Governing Production, Gathering, Processing, Transmission, and Distribution

    SciTech Connect (OSTI)

    Paranhos, Elizabeth; Kozak, Tracy G.; Boyd, William; Bradbury, James; Steinberg, D. C.; Arent, D. J.

    2015-04-23

    This report provides an overview of the regulatory frameworks governing natural gas supply chain infrastructure siting, construction, operation, and maintenance. Information was drawn from a number of sources, including published analyses, government reports, in addition to relevant statutes, court decisions and regulatory language, as needed. The scope includes all onshore facilities that contribute to methane emissions from the natural gas sector, focusing on three areas of state and federal regulations: (1) natural gas pipeline infrastructure siting and transportation service (including gathering, transmission, and distribution pipelines), (2) natural gas pipeline safety, and (3) air emissions associated with the natural gas supply chain. In addition, the report identifies the incentives under current regulatory frameworks to invest in measures to reduce leakage, as well as the barriers facing investment in infrastructure improvement to reduce leakage. Policy recommendations regarding how federal or state authorities could regulate methane emissions are not provided; rather, existing frameworks are identified and some of the options for modifying existing regulations or adopting new regulations to reduce methane leakage are discussed.

  7. Coal Distribution Database, 2006

    U.S. Energy Information Administration (EIA) Indexed Site

    TF RailroadVesselShip Fuel It is also noted that Destination State code of "X Export" indicates movements to foreign destinations. 1 68 Domestic Coal Distribution...

  8. 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)

  9. Effect of Antimicrobial Peptide on Dynamics of Phosphocholine Membrane. Role of Cholesterol and Physical State of Bilayer

    SciTech Connect (OSTI)

    Sharma, Veerendra K; Mamontov, Eugene; Anunciado, Divina B; O'Neill, Hugh Michael; Urban, Volker S

    2015-06-24

    Antimicrobial peptides are universal in all forms of life and are well known for their strong interaction with the cell membrane. This makes them a popular target for investigation of peptide-lipid interactions. Here we report the effect of melittin, an important antimicrobial peptide, on the dynamics of membranes based on 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) lipid in both the solid gel and fluid phases. To probe the phase transition, elastic neutron intensity temperature scans have been carried out on DMPC-based unilamellar vesicles (ULV) with and without melittin. We have found that addition of a small amount (0.2 mol%) melittin eliminates the steep fall in the elastic intensity at 296 K associated with the solid gel to fluid phase transition, which is observed for pure DMPC vesicles. Quasielastic neutron scattering (QENS) experiments have been carried out on DMPC ULV in the solid gel and fluid phases with and without 0.2 mol % melittin. The data analysis invariably shows the presence of lateral and internal motions of the DMPC molecule. We found that melittin does have a profound effect on the dynamics of lipid molecules, especially on the lateral motion, and affects it in a different way, depending on the phase of the bilayers. In the solid gel phase, it acts as a plasticizer, enhancing the lateral motion of DMPC. However, in the fluid phase it acts as a stiffening agent, restricting the lateral motion of the lipid molecules. These observations are consistent with the mean squared displacements extracted from the elastic intensity temperature scans. Cholesterol is a vital component of eukaryotic membrane, which is a natural target for melittin. To investigate the effect of melittin on vesicles supplemented with cholesterol, QENS experiments have also been carried out on DMPC ULV with 20 mol% cholesterol in the presence and absence of 0.2 mol% melittin. Remarkably, the effects of melittin on the membrane dynamics disappear in the presence of 20 mol

  10. Effect of Antimicrobial Peptide on Dynamics of Phosphocholine Membrane. Role of Cholesterol and Physical State of Bilayer

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

    Sharma, Veerendra K; Mamontov, Eugene; Anunciado, Divina B; O'Neill, Hugh Michael; Urban, Volker S

    2015-06-24

    Antimicrobial peptides are universal in all forms of life and are well known for their strong interaction with the cell membrane. This makes them a popular target for investigation of peptide-lipid interactions. Here we report the effect of melittin, an important antimicrobial peptide, on the dynamics of membranes based on 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) lipid in both the solid gel and fluid phases. To probe the phase transition, elastic neutron intensity temperature scans have been carried out on DMPC-based unilamellar vesicles (ULV) with and without melittin. We have found that addition of a small amount (0.2 mol%) melittin eliminates the steep fallmore » in the elastic intensity at 296 K associated with the solid gel to fluid phase transition, which is observed for pure DMPC vesicles. Quasielastic neutron scattering (QENS) experiments have been carried out on DMPC ULV in the solid gel and fluid phases with and without 0.2 mol % melittin. The data analysis invariably shows the presence of lateral and internal motions of the DMPC molecule. We found that melittin does have a profound effect on the dynamics of lipid molecules, especially on the lateral motion, and affects it in a different way, depending on the phase of the bilayers. In the solid gel phase, it acts as a plasticizer, enhancing the lateral motion of DMPC. However, in the fluid phase it acts as a stiffening agent, restricting the lateral motion of the lipid molecules. These observations are consistent with the mean squared displacements extracted from the elastic intensity temperature scans. Cholesterol is a vital component of eukaryotic membrane, which is a natural target for melittin. To investigate the effect of melittin on vesicles supplemented with cholesterol, QENS experiments have also been carried out on DMPC ULV with 20 mol% cholesterol in the presence and absence of 0.2 mol% melittin. Remarkably, the effects of melittin on the membrane dynamics disappear in the presence

  11. Effect of Antimicrobial Peptide on Dynamics of Phosphocholine Membrane: Role of Cholesterol and Physical State of Bilayer

    SciTech Connect (OSTI)

    Sharma, Veerendra K [ORNL; Mamontov, Eugene [ORNL; Anunciado, Divina B [ORNL; O'Neill, Hugh Michael [ORNL; Urban, Volker S [ORNL

    2015-01-01

    Antimicrobial peptides are universal in all forms of life and are well known for their strong interaction with the cell membrane. This makes them a popular target for investigation of peptide-lipid interactions. Here we report the effect of melittin, an important antimicrobial peptide, on the dynamics of membranes based on 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) lipid in both the solid gel and fluid phases. To probe the phase transition, elastic neutron intensity temperature scans have been carried out on DMPC-based unilamellar vesicles (ULV) with and without melittin. We have found that addition of a small amount (0.2 mol%) melittin eliminates the steep fall in the elastic intensity at 296 K associated with the solid gel to fluid phase transition, which is observed for pure DMPC vesicles. Quasielastic neutron scattering (QENS) experiments have been carried out on DMPC ULV in the solid gel and fluid phases with and without 0.2 mol % melittin. The data analysis invariably shows the presence of lateral and internal motions of the DMPC molecule. We found that melittin does have a profound effect on the dynamics of lipid molecules, especially on the lateral motion, and affects it in a different way, depending on the phase of the bilayers. In the solid gel phase, it acts as a plasticizer, enhancing the lateral motion of DMPC. However, in the fluid phase it acts as a stiffening agent, restricting the lateral motion of the lipid molecules. These observations are consistent with the mean squared displacements extracted from the elastic intensity temperature scans. Cholesterol is a vital component of eukaryotic membrane, which is a natural target for melittin. To investigate the effect of melittin on vesicles supplemented with cholesterol, QENS experiments have also been carried out on DMPC ULV with 20 mol% cholesterol in the presence and absence of 0.2 mol% melittin. Remarkably, the effects of melittin on the membrane dynamics disappear in the presence of 20 mol

  12. Conference on natural gas use state regulation and market dynamics in the Post 636/Energy Policy Act Era: Proceedings

    SciTech Connect (OSTI)

    Not Available

    1993-08-01

    Reports in this Record of Proceedings explore a wide variety of issues related to the regulation of natural gas and its future role as one of the critical fuels that powers the economy of the United States. The focus is mainly on problems, obstacles, barriers, and the incredibly complex system created to bring a fuel from wellhead to burner tip. Individual papers have been cataloged separately.

  13. Excited-state quantum phase transitions in systems with two degrees of freedom: Level density, level dynamics, thermal properties

    SciTech Connect (OSTI)

    Strnsk, Pavel; Macek, Michal; Cejnar, Pavel

    2014-06-15

    Quantum systems with a finite number of freedom degrees f develop robust singularities in the energy spectrum of excited states as the systems size increases to infinity. We analyze the general form of these singularities for low f, particularly f=2, clarifying the relation to classical stationary points of the corresponding potential. Signatures in the smoothed energy dependence of the quantum state density and in the flow of energy levels with an arbitrary control parameter are described along with the relevant thermodynamical consequences. The general analysis is illustrated with specific examples of excited-state singularities accompanying the first-order quantum phase transition. -- Highlights: ESQPTs found in infinite-size limit of systems with low numbers of freedom degrees f. ESQPTs related to non-analytical evolutions of classical phasespace properties. ESQPT signatures analyzed for general f, particularly f=2, extending known case f=1. ESQPT signatures identified in smoothened density and flow of energy spectrum. ESQPTs shown to induce a new type of thermodynamic anomalies.

  14. Ramsey Interference in One-Dimensional Systems: The Full Distribution Function of Fringe Contrast as a Probe of Many-Body Dynamics

    SciTech Connect (OSTI)

    Kitagawa, Takuya; Pielawa, Susanne; Demler, Eugene [Physics Department, Harvard University, Cambridge, Massachusetts 02138 (United States); Imambekov, Adilet [Department of Physics and Astronomy, Rice University, Houston, Texas 77005 (United States); Schmiedmayer, Joerg [Atominstitut, TU-Wien, Stadionallee 2, 1020 Vienna (Austria); Gritsev, Vladimir [Physics Department, University of Fribourg, Chemin du Musee 3, 1700 Fribourg (Switzerland)

    2010-06-25

    We theoretically analyze Ramsey interference experiments in one-dimensional quasicondensates and obtain explicit expressions for the time evolution of full distribution functions of fringe contrast. We show that distribution functions contain unique signatures of the many-body mechanism of decoherence. We argue that Ramsey interference experiments provide a powerful tool for analyzing strongly correlated nature of 1D interacting systems.

  15. Effect of bound state of water on hydronium ion mobility in hydrated Nafion using molecular dynamics simulations

    SciTech Connect (OSTI)

    Mabuchi, Takuya; Tokumasu, Takashi

    2014-09-14

    We have performed a detailed analysis of the structural properties of the sulfonate groups in terms of isolated and overlapped solvation shells in the nanostructure of hydrated Nafion membrane using classical molecular dynamics simulations. Our simulations have demonstrated the correlation between the two different areas in bound water region, i.e., the first solvation shell, and the vehicular transport of hydronium ions at different water contents. We have employed a model of the Nafion membrane using the improved force field, which is newly modified and validated by comparing the density and water diffusivity with those obtained experimentally. The first solvation shells were classified into the two types, the isolated area and the overlapped area. The mean residence times of solvent molecules explicitly showed the different behaviors in each of those areas in terms of the vehicular transport of protons: the diffusivity of classical hydronium ions in the overlapped area dominates their total diffusion at lower water contents while that in the isolated area dominates for their diffusion at higher water contents. The results provided insights into the importance role of those areas in the solvation shells for the diffusivity of vehicular transport of hydronium ions in hydrated Nafion membrane.

  16. 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.

  17. Dynamic conductivity of the bulk states of n-type HgTe/CdTe quantum well topological insulator

    SciTech Connect (OSTI)

    Chen, Qinjun; Sanderson, Matthew; Cao, J. C.; Zhang, Chao

    2014-11-17

    We theoretically studied the frequency-dependent current response of the bulk state of topological insulator HgTe/CdTe quantum well. The optical conductivity is mainly due to the inter-band process at high frequencies. At low frequencies, intra-band process dominates with a dramatic drop to near zero before the inter-band contribution takes over. The conductivity decreases with temperature at low temperature and increases with temperature at high temperature. The transport scattering rate has an opposite frequency dependence in the low and high temperature regime. The different frequency dependence is due to the interplay of the carrier-impurity scattering and carrier population near the Fermi surface.

  18. High open-circuit voltage small-molecule p-DTS(FBTTh 2 )2.ICBA bulk heterojunction solar cells – morphology, excited-state dynamics, and photovoltaic performance

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

    Ko Kyaw, Aung Ko; Gehrig, Dominik; Zhang, Jie; Huang, Ye; Bazan, Guillermo C.; Laquai, Frédéric; Nguyen, Thuc -Quyen

    2014-11-27

    The photovoltaic performance of bulk heterojunction solar cells using the solution-processable small molecule donor 7,7'-(4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl)bis(6-fluoro-4-(5'-hexyl-[2,2'-bithiophene]-5-yl)benzo[c][1,2,5]thiadiazole) (p-DTS(FBTTh2)2 in combination with indene-C60 bis-adduct (ICBA) as an acceptor is systematically optimized by altering the processing conditions. A high open-circuit voltage of 1 V, more than 0.2 V higher than that of a p-DTS(FBTTh2)2:PC70BM blend, is achieved. However, the power conversion efficiency remains around 5% and thus is lower than ~8% previously reported for p-DTS(FBTTh2)2:PC70BM. Transient absorption (TA) pump–probe spectroscopy over a wide spectral (Vis-NIR) and dynamic (fs to μs) range in combination with multivariate curve resolution analysis of the TA data reveals thatmore » generation of free charges is more efficient in the blend with PC70BM as an acceptor. In contrast, blends with ICBA create more coulombically bound interfacial charge transfer (CT) states, which recombine on the sub-nanosecond timescale by geminate recombination. Furthermore, the ns to μs charge carrier dynamics in p-DTS(FBTTh2)2:ICBA blends are only weakly intensity dependent implying a significant contribution of recombination from long-lived CT states and trapped charges, while those in p-DTS(FBTTh2)2:PC70BM decay via an intensity-dependent recombination mechanism indicating that spatially separated (free) charge carriers are observed, which can be extracted as photocurrent from the device.« less

  19. By Coal Origin State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table OS-1. Domestic coal distribution, by origin State, 1st Quarter 2010 Origin: Alabama (thousand short tons) Coal Destination State...

  20. By Coal Origin State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table OS-1. Domestic coal distribution, by origin State, 4th Quarter 2011 Origin: Alabama (thousand short tons) Coal Destination State...

  1. By Coal Destination State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table DS-1. Domestic coal distribution, by destination State, 3rd Quarter 2011 Destination: Alabama (thousand short tons) Coal Origin State...

  2. By Coal Origin State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table OS-1. Domestic coal distribution, by origin State, 3rd Quarter 2011 Origin: Alabama (thousand short tons) Coal Destination State...

  3. By Coal Destination State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table DS-1. Domestic coal distribution, by destination State, 4th Quarter 2011 Destination: Alabama (thousand short tons) Coal Origin State...

  4. By Coal Destination State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table DS-1. Domestic coal distribution, by destination State, 3rd Quarter 2010 Destination: Alabama (thousand short tons) Coal Origin State...

  5. By Coal Origin State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table OS-1. Domestic coal distribution, by origin State, 4th Quarter 2010 Origin: Alabama (thousand short tons) Coal Destination State...

  6. By Coal Origin State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table OS-1. Domestic coal distribution, by origin State, 2nd Quarter 2011 Origin: Alabama (thousand short tons) Coal Destination State...

  7. By Coal Origin State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table OS-1. Domestic coal distribution, by origin State, 3rd Quarter 2010 Origin: Alabama (thousand short tons) Coal Destination State...

  8. By Coal Destination State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table DS-1. Domestic coal distribution, by destination State, 4th Quarter 2010 Destination: Alabama (thousand short tons) Coal Origin State...

  9. By Coal Origin State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table OS-1. Domestic coal distribution, by origin State, 1st Quarter 2011 Origin: Alabama (thousand short tons) Coal Destination State...

  10. By Coal Destination State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table DS-1. Domestic coal distribution, by destination State, 1st Quarter 2011 Destination: Alabama (thousand short tons) Coal Origin State...

  11. By Coal Origin State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table OS-1. Domestic coal distribution, by origin State, 2nd Quarter 2010 Origin: Alabama (thousand short tons) Coal Destination State...

  12. By Coal Destination State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table DS-1. Domestic coal distribution, by destination State, 1st Quarter 2010 Destination: Alabama (thousand short tons) Coal Origin State...

  13. By Coal Destination State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table DS-1. Domestic coal distribution, by destination State, 2nd Quarter 2010 Destination: Alabama (thousand short tons) Coal Origin State...

  14. By Coal Destination State

    U.S. Energy Information Administration (EIA) Indexed Site

    Table DS-1. Domestic coal distribution, by destination State, 2nd Quarter 2011 Destination: Alabama (thousand short tons) Coal Origin State...

  15. Communication: State-to-state differential cross sections for H{sub 2}O(B-tild) photodissociation

    SciTech Connect (OSTI)

    Jiang Bin; Xie Daiqian; Guo Hua

    2011-06-21

    Quantum state-to-state differential cross sections, along with the absorption spectrum and product internal state distributions, have been calculated for the photodissociation of H{sub 2}O in its B band on a new set of ab initio potential energy surfaces in a diabatic representation. The theoretical attributes are in good agreement with the recent experimental data, shedding light on the non-adiabatic dissociation dynamics.

  16. Superthermal electron distribution measurements from polarized electron cyclotron emission

    SciTech Connect (OSTI)

    Luce, T.C.; Efthimion, P.C.; Fisch, N.J.

    1988-06-01

    Measurements of the superthermal electron distribution can be made by observing the polarized electron cyclotron emission. The emission is viewed along a constant magnetic field surface. This simplifies the resonance condition and gives a direct correlation between emission frequency and kinetic energy of the emitting electron. A transformation technique is formulated which determines the anisotropy of the distribution and number density of superthermals at each energy measured. The steady-state distribution during lower hybrid current drive and examples of the superthermal dynamics as the runaway conditions is varied are presented for discharges in the PLT tokamak. 15 refs., 8 figs.

  17. 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

  18. 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

  19. FRIB cryogenic distribution system

    SciTech Connect (OSTI)

    Ganni, Venkatarao; Dixon, Kelly D.; Laverdure, Nathaniel A.; Knudsen, Peter N.; Arenius, Dana M.; Barrios, Matthew N.; Jones, S.; Johnson, M.; Casagrande, Fabio

    2014-01-01

    The Michigan State University Facility for Rare Isotope Beams (MSU-FRIB) helium distribution system has been revised to include bayonet/warm valve type disconnects between each cryomodule and the transfer line distribution system, similar to the Thomas Jefferson National Accelerator Facility (JLab) and the Spallation Neutron Source (SNS) cryogenic distribution systems. The heat loads at various temperature levels and some of the features in the design of the distribution system are outlined. The present status, the plans for fabrication, and the procurement approach for the helium distribution system are also included.

  20. Excitation of helium Rydberg states and doubly excited resonances in strong extreme ultraviolet fields: Full-dimensional quantum dynamics using exponentially tempered Gaussian basis sets

    SciTech Connect (OSTI)

    Kaprlov-?nsk, Petra Ruth; mydke, Jan; Department of Radiation and Chemical Physics, Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, 182 21 Prague 8 ; Civi, Svatopluk

    2013-09-14

    Recently optimized exponentially tempered Gaussian basis sets [P. R. Kapralova-Zdanska and J. Smydke, J. Chem. Phys. 138, 024105 (2013)] are employed in quantitative simulations of helium absorption cross-sections and two-photon excitation yields of doubly excited resonances. Linearly polarized half-infinite and Gaussian laser pulses at wavelengths 3858 nm and large intensities up to 100 TW/cm{sup 2} are considered. The emphasis is laid on convergence of the results with respect to the quality of the Gaussian basis sets (typically limited by a number of partial waves, density, and spatial extent of the basis functions) as well as to the quality of the basis set of field-free states (typically limited by the maximum rotational quantum number and maximum excitation of the lower electron). Particular attention is paid to stability of the results with respect to varying complex scaling parameter. Moreover, the study of the dynamics is preceded by a thorough check of helium energies and oscillator strengths as they are obtained with the exponentially tempered Gaussian basis sets, being also compared with yet unpublished emission wavelengths measured in electric discharge experiments.

  1. Accurate high level ab initio-based global potential energy surface and dynamics calculations for ground state of CH{sub 2}{sup +}

    SciTech Connect (OSTI)

    Li, Y. Q.; Zhang, P. Y.; Han, K. L.

    2015-03-28

    A global many-body expansion potential energy surface is reported for the electronic ground state of CH{sub 2}{sup +} by fitting high level ab initio energies calculated at the multireference configuration interaction level with the aug-cc-pV6Z basis set. The topographical features of the new global potential energy surface are examined in detail and found to be in good agreement with those calculated directly from the raw ab initio energies, as well as previous calculations available in the literature. In turn, in order to validate the potential energy surface, a test theoretical study of the reaction CH{sup +}(X{sup 1}Σ{sup +})+H({sup 2}S)→C{sup +}({sup 2}P)+H{sub 2}(X{sup 1}Σ{sub g}{sup +}) has been carried out with the method of time dependent wavepacket on the title potential energy surface. The total integral cross sections and the rate coefficients have been calculated; the results determined that the new potential energy surface can both be recommended for dynamics studies of any type and as building blocks for constructing the potential energy surfaces of larger C{sup +}/H containing systems.

  2. Distributed Wind Energy Workshop

    Broader source: Energy.gov [DOE]

    Join instructor Brent Summerville for a fun and interactive workshop at Appalachian State University's Small Wind Research and Demonstration Site. Learn about a variety of distributed wind energy...

  3. EIS Distribution

    Broader source: Energy.gov [DOE]

    This DOE guidance presents a series of recommendations related to the EIS distribution process, which includes creating and updating a distribution list, distributing an EIS, and filing an EIS with the EPA.

  4. The impact of size distribution assumptions in a bulk one-moment microphysics scheme on simulated surface precipitation and storm dynamics during a low-topped supercell case in Belgium

    SciTech Connect (OSTI)

    Van Weverberg, K.; VanLipzig, N. P. M.; Delobbe, L.

    2011-04-01

    In this research the impact of modifying the size distribution assumptions of the precipitating hydrometeors in a bulk one-moment microphysics scheme on simulated surface precipitation and storm dynamics has been explored for long-lived low-topped supercells in Belgium. It was shown that weighting the largest precipitating ice species of the microphysics scheme to small graupel results in an increase of surface precipitation because of counteracting effects. On the one hand, the precipitation formation process slowed down, resulting in lower precipitation efficiency. On the other hand, latent heat release associated with freezing favored more intense storms. In contrast to previous studies finding decreased surface precipitation when graupel was present in the microphysics parameterization, storms were rather shallow in the authors simulations. This left little time for graupel sublimation. The impact of size distribution assumptions of snow was found to be small, but more realistic size distribution assumptions of rain led to the strongest effect on surface precipitation. Cold pools shrunk because of weaker rain evaporation at the cold pool boundaries, leading to a decreased surface rain area.

  5. United States Department of Energy Office of Nuclear Energy, Isotope Production and Distribution Program financial statements, September 30, 1996 and 1995

    SciTech Connect (OSTI)

    1997-04-01

    The charter of the Department of Energy (DOE) Isotope Production and Distribution Program (Isotope Program) covers the production and sale of radioactive and stable isotopes, associated byproducts, surplus materials such as lithium, and related isotope services. Service provided include, but are not limited to, irradiation services, target preparation and processing, source encapsulation and other special preparations, analyses, chemical separations, and leasing of stable isotopes for research purposes. Isotope Program products and services are sold worldwide for use in a wide variety of research, development, biomedical, and industrial applications. This report presents the results of the independent certified public accountants` audit of the Isotope Production and Distribution Program`s (Isotope) financial statements as of September 30, 1996.

  6. Annual Coal Distribution Tables

    U.S. Energy Information Administration (EIA) Indexed Site

    and Foreign Distribution of U.S. Coal by State of Origin, 2001 State Region Domestic Foreign Total Alabama 14,828 4,508 19,336 Alaska 825 698 1,524 Arizona 13,143 - 13,143...

  7. Local Soot Loading Distribution in Cordierite Diesel Particulate...

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

    Local Soot Loading Distribution in Cordierite Diesel Particulate Filters by Dynamic Neutron Radiography Local Soot Loading Distribution in Cordierite Diesel Particulate Filters by...

  8. Electrical utilities model for determining electrical distribution capacity

    SciTech Connect (OSTI)

    Fritz, R. L.

    1997-09-03

    In its simplest form, this model was to obtain meaningful data on the current state of the Site`s electrical transmission and distribution assets, and turn this vast collection of data into useful information. The resulting product is an Electrical Utilities Model for Determining Electrical Distribution Capacity which provides: current state of the electrical transmission and distribution systems; critical Hanford Site needs based on outyear planning documents; decision factor model. This model will enable Electrical Utilities management to improve forecasting requirements for service levels, budget, schedule, scope, and staffing, and recommend the best path forward to satisfy customer demands at the minimum risk and least cost to the government. A dynamic document, the model will be updated annually to reflect changes in Hanford Site activities.

  9. Estimation of steady-state and transcient power distributions for the RELAP analyses of the 1963 loss-of-flow and loss-of-pressure tests at BR2.

    SciTech Connect (OSTI)

    Dionne, B.; Tzanos, C. P.

    2011-05-23

    To support the safety analyses required for the conversion of the Belgian Reactor 2 (BR2) from highly-enriched uranium (HEU) to low-enriched uranium (LEU) fuel, the simulation of a number of loss-of-flow tests, with or without loss of pressure, has been undertaken. These tests were performed at BR2 in 1963 and used instrumented fuel assemblies (FAs) with thermocouples (TC) imbedded in the cladding as well as probes to measure the FAs power on the basis of their coolant temperature rise. The availability of experimental data for these tests offers an opportunity to better establish the credibility of the RELAP5-3D model and methodology used in the conversion analysis. In order to support the HEU to LEU conversion safety analyses of the BR2 reactor, RELAP simulations of a number of loss-of-flow/loss-of-pressure tests have been undertaken. Preliminary analyses showed that the conservative power distributions used historically in the BR2 RELAP model resulted in a significant overestimation of the peak cladding temperature during the transient. Therefore, it was concluded that better estimates of the steady-state and decay power distributions were needed to accurately predict the cladding temperatures measured during the tests and establish the credibility of the RELAP model and methodology. The new approach ('best estimate' methodology) uses the MCNP5, ORIGEN-2 and BERYL codes to obtain steady-state and decay power distributions for the BR2 core during the tests A/400/1, C/600/3 and F/400/1. This methodology can be easily extended to simulate any BR2 core configuration. Comparisons with measured peak cladding temperatures showed a much better agreement when power distributions obtained with the new methodology are used.

  10. By Coal Destination State

    U.S. Energy Information Administration (EIA) Indexed Site

    Destination State ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ U.S. Energy Information Administration | Quarterly Coal Distribution Report 1st Quarter 2012 U.S. Energy Information Administration | Quarterly Coal Distribution Report 1st Quarter 2012 Alabama _____________________________________________________________________________________________________________________________________ Table DS-1. Domestic coal

  11. By Coal Origin State

    U.S. Energy Information Administration (EIA) Indexed Site

    Origin State ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ U.S. Energy Information Administration | Quarterly Coal Distribution Report 1st Quarter 2012 U.S. Energy Information Administration | Quarterly Coal Distribution Report 1st Quarter 2012 Alabama ___________________________________________________________________________________________________________________________________ Table OS-1. Domestic coal

  12. 2014 Distributed Wind Market Report

    SciTech Connect (OSTI)

    Orell, A.; Foster, N.

    2015-08-01

    The cover of the 2014 Distributed Wind Market Report.According to the 2014 Distributed Wind Market Report, distributed wind reached a cumulative capacity of almost 1 GW (906 MW) in the United States in 2014, reflecting nearly 74,000 wind turbines deployed across all 50 states, Puerto Rico, and the U.S. Virgin Islands. In total, 63.6 MW of new distributed wind capacity was added in 2014, representing nearly 1,700 units and $170 million in investment across 24 states. In 2014, America's distributed wind energy industry supported a growing domestic industrial base as exports from United States-based small wind turbine manufacturers accounted for nearly 80% of United States-based manufacturers' sales.

  13. Chemical structure and dynamics: Annual report 1996

    SciTech Connect (OSTI)

    Colson, S.D.; McDowell, R.S.

    1997-03-01

    The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing waste tanks and pollutant distributions, and for detecting and monitoring trace atmospheric species.

  14. Chemical structure and dynamics. Annual report 1995

    SciTech Connect (OSTI)

    Colson, S.D.; McDowell, R.S.

    1996-05-01

    The Chemical Structure and Dynamics program is a major component of Pacific Northwest National Laboratory`s Environmental Molecular Sciences Laboratory (EMSL), providing a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for the characterization of waste tanks and pollutant distributions, and for detection and monitoring of trace atmospheric species.

  15. Observation of the wavepacket dynamics on the {sup 1}B{sub 2}({sup 1}?{sub u}{sup +}) state of CS{sub 2} by sub-20 fs photoelectron imaging using 159 nm probe pulses

    SciTech Connect (OSTI)

    Spesyvtsev, R.; Horio, T.; Suzuki, Y.-I.; Suzuki, T.

    2015-02-21

    The wavepacket dynamics of CS{sub 2} after photoexcitation to the {sup 1}B{sub 2}({sup 1}?{sub u}{sup +}) state at 198 nm are studied by time-resolved photoelectron imaging using sub-20 fs 159 nm pulses, which enable single photon ionization from the entire region of the {sup 1}B{sub 2} potential energy surface. The time-energy map of the photoelectron intensity reveals vibrational motions along the symmetric stretching and bending coordinates. The time-energy map of the photoelectron anisotropy parameter exhibits time-evolution within single oscillation periods of the ?{sub 1} and ?{sub 2} modes, which is attributed to variation of the excited state electronic character along these vibrational coordinates. The initially populated {sup 1}B{sub 2} state evolves with two time constants of 107 and 394 fs.

  16. Distributed Generation

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

    and regulations such as IEEE (Institute of Electrical and Electronics Engineers) 1547 have come a long way in addressing interconnection standards for distributed generation, ...

  17. Distribution Workshop

    Broader source: Energy.gov [DOE]

    On September 24-26, 2012, the GTT presented a workshop on grid integration on the distribution system at the Sheraton Crystal City near Washington, DC.

  18. Software-Based Challenges of Developing the Future Distribution Grid

    SciTech Connect (OSTI)

    Stewart, Emma; Kiliccote, Sila; McParland, Charles

    2014-06-01

    The software that the utility industry currently uses may be insufficient to analyze the distribution grid as it rapidly modernizes to include active resources such as distributed generation, switch and voltage control, automation, and increasingly complex loads. Although planners and operators have traditionally viewed the distribution grid as a passive load, utilities and consultants increasingly need enhanced analysis that incorporates active distribution grid loads in order to ensure grid reliability. Numerous commercial and open-source tools are available for analyzing distribution grid systems. These tools vary in complexity from providing basic load-flow and capacity analysis under steady-state conditions to time-series analysis and even geographical representations of dynamic and transient events. The need for each type of analysis is not well understood in the industry, nor are the reasons that distribution analysis requires different techniques and tools both from those now available and from those used for transmission analysis. In addition, there is limited understanding of basic capability of the tools and how they should be practically applied to the evolving distribution system. The study reviews the features and state of the art capability of current tools, including usability and visualization, basic analysis functionality, advanced analysis including inverters, and renewable generation and load modeling. We also discuss the need for each type of distribution grid system analysis. In addition to reviewing basic functionality current models, we discuss dynamics and transient simulation in detail and draw conclusions about existing software?s ability to address the needs of the future distribution grid as well as the barriers to modernization of the distribution grid that are posed by the current state of software and model development. Among our conclusions are that accuracy, data transfer, and data processing abilities are key to future

  19. Smart distribution systems

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

    Jiang, Yazhou; Liu, Chen -Ching; Xu, Yin

    2016-04-19

    The increasing importance of system reliability and resilience is changing the way distribution systems are planned and operated. To achieve a distribution system self-healing against power outages, emerging technologies and devices, such as remote-controlled switches (RCSs) and smart meters, are being deployed. The higher level of automation is transforming traditional distribution systems into the smart distribution systems (SDSs) of the future. The availability of data and remote control capability in SDSs provides distribution operators with an opportunity to optimize system operation and control. In this paper, the development of SDSs and resulting benefits of enhanced system capabilities are discussed. Amore » comprehensive survey is conducted on the state-of-the-art applications of RCSs and smart meters in SDSs. Specifically, a new method, called Temporal Causal Diagram (TCD), is used to incorporate outage notifications from smart meters for enhanced outage management. To fully utilize the fast operation of RCSs, the spanning tree search algorithm is used to develop service restoration strategies. Optimal placement of RCSs and the resulting enhancement of system reliability are discussed. Distribution system resilience with respect to extreme events is presented. Furthermore, test cases are used to demonstrate the benefit of SDSs. Active management of distributed generators (DGs) is introduced. Future research in a smart distribution environment is proposed.« less

  20. Coal Distribution and Utilization Act of 1987. Hearing before the Committee on Energy and Natural Resources, United States Senate, One Hundredth Congress, First Session on S. 801, September 10, 1987

    SciTech Connect (OSTI)

    Not Available

    1988-01-01

    The hearing was called to review Senate bill S.801 which would provide Federal eminent domain authority for coal slurry pipelines to facilitate the national distribution and utilization of coal. Obtaining rights-of-way for the pipelines, particularly across railroad lands, has been a major stumbling lock to construction in the US. Testimony was heard from 9 witnesses, representing the Building and Construction Trade Department of AFL-CIO, Snamprogetti USA, Association of American Railroads, Railway Labor Executives Association, Coal and Slurry Technology Association, American Mining Congress, Edison Electric Institute, and the state of Louisiana. An attorney at law also gave testimony. Additional material was submitted by the National Association of Regulatory Utility Commissioners, the American Farm Bureau Federation, American Public Power Association, several union representatives, and the National Rural Electric Cooperative Association.

  1. 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.

  2. ITP Industrial Distributed Energy: Distributed Energy Program...

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

    ITP Industrial Distributed Energy: Distributed Energy Program Project Profile: Verizon Central Office Building ITP Industrial Distributed Energy: Distributed Energy Program Project ...

  3. 2014 Distributed Wind Market Report

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

    Wind Capacity Nearing 1 GW Distributed wind cumulative capacity has reached a total of 906 MW from nearly 74,000 wind turbines. In 2014, 23 states added 63.6 MW of new distributed wind capacity, represent- ing nearly 1,700 units and $170 million in investment. 2014 a Mixed Year for Distributed Wind The market for distributed wind systems using large-scale turbines (greater than 1 MW) showed signs of a recovery after low capacity additions in 2013. The markets for distributed wind systems using

  4. Distributed Wind Policy Comparison Tool

    Broader source: Energy.gov [DOE]

    DOE funded "Best Practices for Cost-Effective Distributed Wind" to identify distributed wind technology policy best practices and to help policymakers, utilities, advocates, and consumers examine their effectiveness using a pro forma model. Incorporating a customized feed from the Database of State Incentives for Renewables and Efficiency (DSIRE), the Web-based Distributed Wind Policy Comparison Tool is designed to assist state, local, and utility officials in understanding the financial impacts of different policy options to help reduce the cost of distributed wind technologies. The Tool can be used to evaluate the ways that a variety of federal and state policies and incentives impact the economics of distributed wind (and subsequently its expected market growth).

  5. 2013 Distributed Wind Market Report

    SciTech Connect (OSTI)

    Orrell, Alice C.; Rhoads-Weaver, H. E.; Flowers, Larry T.; Gagne, Matthew N.; Pro, Boyd H.; Foster, Nikolas AF

    2014-08-20

    The purpose of this report is to quantify and summarize the 2013 U.S. distributed wind market to help plan and guide future investments and decisions by industry stakeholders, utilities, state and federal agencies, and other interested parties.

  6. A directory service for configuring high-performance distributed computations

    SciTech Connect (OSTI)

    Fitzgerald, S.; Kesselman, C.; Foster, I.

    1997-08-01

    High-performance execution in distributed computing environments often requires careful selection and configuration not only of computers, networks, and other resources but also of the protocols and algorithms used by applications. Selection and configuration in turn require access to accurate, up-to-date information on the structure and state of available resources. Unfortunately, no standard mechanism exists for organizing or accessing such information. Consequently, different tools and applications adopt ad hoc mechanisms, or they compromise their portability and performance by using default configurations. We propose a Metacomputing Directory Service that provides efficient and scalable access to diverse, dynamic, and distributed information about resource structure and state. We define an extensible data model to represent required information and present a scalable, high-performance, distributed implementation. The data representation and application programming interface are adopted from the Lightweight Directory Access Protocol; the data model and implementation are new. We use the Globus distributed computing toolkit to illustrate how this directory service enables the development of more flexible and efficient distributed computing services and applications.

  7. Crossed-beam studies of the dynamics of radical reactions

    SciTech Connect (OSTI)

    Liu, K.

    1993-12-01

    The objective of this program is to characterize the detailed dynamics of elementary radical reactions and to provide a better understanding of radical reactivity in general. The radical beam is typically generated by a laser photolysis method. After colliding with the reacting molecule in a crossed-beam apparatus, the reaction product state distribution is interrogated by laser spectroscopic techniques. Several radicals of combustion significance, such as O, CH, OH, CN and NCO have been successfully generated and their collisional behavior at the state-to-state integral cross section level of detail has been studied in this manner. During the past year, the detection system has been converted from LIF to REMPI schemes, and the emphasis of this program shifted to investigate the product angular distributions. Both inelastic and reactive processes have been studied.

  8. Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks Using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy

    SciTech Connect (OSTI)

    Guo, Zhiyong; Kobayashi, Takeshi; Wang, Lin-Lin; Goh, Tian Wei; Xiao, Chaoxian; Caporini, Marc A.; Rosay, Melanie; Johnson, Duane D.; Pruski, Marek; Huang, Wenyu

    2014-10-08

    The host–guest interaction between metal ions (Pt²⁺ and Cu²⁺) and a zirconium metal–organic framework (UiO-66-NH₂) was explored using dynamic nuclear polarization-enhanced ¹⁵N{¹H} CPMAS NMR spectroscopy supported by X-ray absorption spectroscopy and density functional calculations. The combined experimental results conclude that each Pt²⁺ coordinates with two NH₂ groups from the MOF and two Cl⁻ from the metal precursor, whereas Cu²⁺ do not form chemical bonds with the NH₂ groups of the MOF framework. Density functional calculations reveal that Pt²⁺ prefers a square-planar structure with the four ligands and resides in the octahedral cage of the MOF in either cis or trans configurations.

  9. Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy

    SciTech Connect (OSTI)

    Guo, Zhiyong; Kobayashi, Takeshi; Wang, Lin-Lin; Goh, Tian Wei; Xiao, Chaoxian; Caporini, Marc A; Rosay, Melanie; Johnson, Duane D; Pruski, Marek; Huang, Wenyu

    2014-10-08

    The host–guest interaction between metal ions (Pt2+ and Cu2+) and a zirconium metal–organic framework (UiO-66-NH2) was explored using dynamic nuclear polarization-enhanced 15N{1H} CPMAS NMR spectroscopy supported by X-ray absorption spectroscopy and density functional calculations. The combined experimental results conclude that each Pt2+ coordinates with two NH2 groups from the MOF and two Cl- from the metal precursor, whereas Cu2+ do not form chemical bonds with the NH2 groups of the MOF framework. Density functional calculations reveal that Pt2+ prefers a square-planar structure with the four ligands and resides in the octahedral cage of the MOF in either cis or trans configurations.

  10. 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.

  11. 2015 Distributed Wind Market Report Fact Sheet

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

    Wind Capacity Continues to Grow Distributed wind cumulative capacity now totals 934 MW from over 75,000 turbines. In 2015, 28 states added 28 MW of new distributed wind capacity, ...

  12. Distributed Energy Resources Test Facility | Energy Systems Integratio...

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

    Distributed Energy Resources Test Facility At the Distributed Energy Resources Test Facility (DERTF), researchers use state-of-the-art laboratories and outdoor test beds to ...

  13. U.S. Energy Information Administration | Quarterly Coal Distribution...

    Gasoline and Diesel Fuel Update (EIA)

    Information Administration | Quarterly Coal Distribution Report 4th Quarter 2013 ... Table DS-1. Domestic Coal Distribution, by Destination State, 4th Quarter 2013 ...

  14. U.S. Energy Information Administration | Quarterly Coal Distribution...

    Gasoline and Diesel Fuel Update (EIA)

    Information Administration | Quarterly Coal Distribution Report 3rd Quarter 2013 ... Table OS-1. Domestic Coal Distribution, by Origin State, 3rd Quarter 2013 Origin: Alabama ...

  15. U.S. Energy Information Administration | Quarterly Coal Distribution...

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Information Administration | Quarterly Coal Distribution Report 4th Quarter 2012 ... Table OS-1. Domestic Coal Distribution, by Origin State, 4th Quarter 2012 Origin: Alabama ...

  16. U.S. Energy Information Administration | Quarterly Coal Distribution...

    U.S. Energy Information Administration (EIA) Indexed Site

    Information Administration | Quarterly Coal Distribution Report 3rd Quarter 2012 ... Table DS-1. Domestic coal distribution, by destination State, 3rd Quarter 2012 ...

  17. U.S. Energy Information Administration | Quarterly Coal Distribution...

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Information Administration | Quarterly Coal Distribution Report 4th Quarter 2012 ... Table DS-1. Domestic Coal Distribution, by Destination State, 4th Quarter 2012 ...

  18. U.S. Energy Information Administration | Quarterly Coal Distribution...

    U.S. Energy Information Administration (EIA) Indexed Site

    Information Administration | Quarterly Coal Distribution Report 2nd Quarter 2014 ... Table OS-1. Domestic Coal Distribution, by Origin State, 2nd Quarter 2014 Origin: Alabama ...

  19. U.S. Energy Information Administration | Quarterly Coal Distribution...

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

    Information Administration | Quarterly Coal Distribution Report 3rd Quarter 2013 ... Table DS-1. Domestic Coal Distribution, by Destination State, 3rd Quarter 2013 ...

  20. U.S. Energy Information Administration | Quarterly Coal Distribution...

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

    Information Administration | Quarterly Coal Distribution Report 2nd Quarter 2013 ... Table OS-1. Domestic Coal Distribution, by Origin State, 2nd Quarter 2013 Origin: Alabama ...

  1. U.S. Energy Information Administration | Quarterly Coal Distribution...

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    Information Administration | Quarterly Coal Distribution Report 4th Quarter 2013 ... Table OS-1. Domestic Coal Distribution, by Origin State, 4th Quarter 2013 Origin: Alabama ...

  2. U.S. Energy Information Administration | Quarterly Coal Distribution...

    Gasoline and Diesel Fuel Update (EIA)

    Information Administration | Quarterly Coal Distribution Report 3rd Quarter 2012 ... Table OS-1. Domestic coal distribution, by origin State, 3rd Quarter 2012 Origin: Alabama ...

  3. U.S. Energy Information Administration | Quarterly Coal Distribution...

    U.S. Energy Information Administration (EIA) Indexed Site

    Information Administration | Quarterly Coal Distribution Report 2nd Quarter 2012 ... Table DS-1. Domestic coal distribution, by destination State, 2nd Quarter 2012 ...

  4. U.S. Energy Information Administration | Quarterly Coal Distribution...

    Gasoline and Diesel Fuel Update (EIA)

    Information Administration | Quarterly Coal Distribution Report 1st Quarter 2014 ... Table DS-1. Domestic Coal Distribution, by Destination State, 1st Quarter 2014 ...

  5. U.S. Energy Information Administration | Quarterly Coal Distribution...

    U.S. Energy Information Administration (EIA) Indexed Site

    Information Administration | Quarterly Coal Distribution Report 1st Quarter 2014 ... Table OS-1. Domestic Coal Distribution, by Origin State, 1st Quarter 2014 Origin: Alabama ...

  6. Quarterly Coal Distribution Report - Energy Information Administration

    U.S. Energy Information Administration (EIA) Indexed Site

    Quarterly Coal Distribution Report Release Date: August 17, 2016 | Next Release Date: December 22, 2016 | full report The Quarterly Coal Distribution Report (QCDR) provides detailed U.S. domestic coal distribution data by coal origin state, coal destination state, mode of transportation, and consuming sector. All quarterly data are preliminary and will be superseded by the release of the corresponding "Annual Coal Distribution Report." Highlights for the fourth quarter 2015: Total

  7. A Dynamic Programming Approach to Estimate the Capacity Value of Energy Storage

    Broader source: Energy.gov [DOE]

    We present a method to estimate the capacity value of storage. Our method uses a dynamic program to model the effect of power system outages on the operation and state of charge of storage in subsequent periods. We combine the optimized dispatch from the dynamic program with estimated system loss of load probabilities to compute a probability distribution for the state of charge of storage in each period. This probability distribution can be used as a forced outage rate for storage in standard reliability-based capacity value estimation methods. Our proposed method has the advantage over existing approximations that it explicitly captures the effect of system shortage events on the state of charge of storage in subsequent periods. We also use a numerical case study, based on five utility systems in the U.S., to demonstrate our technique and compare it to existing approximation methods.

  8. The high pressure structure and equation of state of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) up to 20 GPa: X-ray diffraction measurements and first principles molecular dynamics simulations

    SciTech Connect (OSTI)

    Stavou, Elissaios; Manaa, M. Riad; Zaug, Joseph M.; Kuo, I-Feng W.; Pagoria, Philip F.; Crowhurst, Jonathan C.; Armstrong, Michael R.; Kalkan, Bora

    2015-10-14

    Recent theoretical studies of 2,6-diamino-3,5-dinitropyrazine-1-oxide (C4H4N6O5 Lawrence Livermore Molecule No. 105, LLM-105) report unreacted high pressure equations of state that include several structural phase transitions, between 8 and 50 GPa, while one published experimental study reports equation of state (EOS) data up to a pressure of 6 GPa with no observed transition. Here we report the results of a synchrotron-based X-ray diffraction study and also ambient temperature isobaric-isothermal atomistic molecular dynamics simulations of LLM-105 up to 20 GPa. We find that the ambient pressure phase remains stable up to 20 GPa; there is no indication of a pressure induced phase transition. We do find a prominent decrease in b-axis compressibility starting at approximately 13 GPa and attribute the stiffening to a critical length where inter-sheet distance becomes similar to the intermolecular distance within individual sheets. The ambient temperature isothermal equation of state was determined through refinements of measured X-ray diffraction patterns. The pressure-volume data were fit using various EOS models to yield bulk moduli with corresponding pressure derivatives. As a result, we find very good agreement between the experimental and theoretically derived EOS.

  9. The high pressure structure and equation of state of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) up to 20 GPa: X-ray diffraction measurements and first principles molecular dynamics simulations

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

    Stavou, Elissaios; Manaa, M. Riad; Zaug, Joseph M.; Kuo, I-Feng W.; Pagoria, Philip F.; Crowhurst, Jonathan C.; Armstrong, Michael R.; Kalkan, Bora

    2015-10-14

    Recent theoretical studies of 2,6-diamino-3,5-dinitropyrazine-1-oxide (C4H4N6O5 Lawrence Livermore Molecule No. 105, LLM-105) report unreacted high pressure equations of state that include several structural phase transitions, between 8 and 50 GPa, while one published experimental study reports equation of state (EOS) data up to a pressure of 6 GPa with no observed transition. Here we report the results of a synchrotron-based X-ray diffraction study and also ambient temperature isobaric-isothermal atomistic molecular dynamics simulations of LLM-105 up to 20 GPa. We find that the ambient pressure phase remains stable up to 20 GPa; there is no indication of a pressure induced phasemore » transition. We do find a prominent decrease in b-axis compressibility starting at approximately 13 GPa and attribute the stiffening to a critical length where inter-sheet distance becomes similar to the intermolecular distance within individual sheets. The ambient temperature isothermal equation of state was determined through refinements of measured X-ray diffraction patterns. The pressure-volume data were fit using various EOS models to yield bulk moduli with corresponding pressure derivatives. As a result, we find very good agreement between the experimental and theoretically derived EOS.« less

  10. Distributed Wind Market Applications

    SciTech Connect (OSTI)

    Forsyth, T.; Baring-Gould, I.

    2007-11-01

    Distributed wind energy systems provide clean, renewable power for on-site use and help relieve pressure on the power grid while providing jobs and contributing to energy security for homes, farms, schools, factories, private and public facilities, distribution utilities, and remote locations. America pioneered small wind technology in the 1920s, and it is the only renewable energy industry segment that the United States still dominates in technology, manufacturing, and world market share. The series of analyses covered by this report were conducted to assess some of the most likely ways that advanced wind turbines could be utilized apart from large, central station power systems. Each chapter represents a final report on specific market segments written by leading experts in this field. As such, this document does not speak with one voice but rather a compendium of different perspectives, which are documented from a variety of people in the U.S. distributed wind field.